USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 417 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 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.1) USER MOD Single : A 111 LYS NZ :NH3+ 164:sc= 1.15 (180deg=0.751) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 6:sc= 0.638 USER MOD Single : A 131 MET CE :methyl -137:sc= -0.0999 (180deg=-3.11!) USER MOD Single : A 132 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.19) USER MOD Single : A 139 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.38) USER MOD Single : A 148 MET CE :methyl -175:sc= 0 (180deg=-0.0341) USER MOD Single : A 152 LYS NZ :NH3+ -176:sc= 0.5 (180deg=0.378) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -3.582 -11.522 0.334 1.00 0.00 N ATOM 32 CA GLU A 89 -3.527 -10.331 1.227 1.00 0.00 C ATOM 33 C GLU A 89 -3.066 -9.028 0.484 1.00 0.00 C ATOM 34 O GLU A 89 -3.543 -7.949 0.828 1.00 0.00 O ATOM 35 CB GLU A 89 -2.691 -10.612 2.506 1.00 0.00 C ATOM 36 CG GLU A 89 -2.795 -9.517 3.618 1.00 0.00 C ATOM 37 CD GLU A 89 -4.166 -9.324 4.265 1.00 0.00 C ATOM 38 OE1 GLU A 89 -5.091 -8.781 3.627 1.00 0.00 O ATOM 39 OE2 GLU A 89 -4.370 -9.832 5.385 1.00 0.00 O ATOM 0 HA GLU A 89 -4.550 -10.138 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.008 -11.566 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.645 -10.721 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.079 -9.761 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.485 -8.565 3.188 1.00 0.00 H new ATOM 46 N ILE A 90 -2.177 -9.111 -0.532 1.00 0.00 N ATOM 47 CA ILE A 90 -1.719 -7.945 -1.329 1.00 0.00 C ATOM 48 C ILE A 90 -2.908 -7.411 -2.182 1.00 0.00 C ATOM 49 O ILE A 90 -3.256 -6.235 -2.025 1.00 0.00 O ATOM 50 CB ILE A 90 -0.504 -8.249 -2.289 1.00 0.00 C ATOM 51 CG1 ILE A 90 0.782 -8.980 -1.845 1.00 0.00 C ATOM 52 CG2 ILE A 90 0.039 -6.998 -3.008 1.00 0.00 C ATOM 53 CD1 ILE A 90 0.712 -10.093 -0.842 1.00 0.00 C ATOM 0 H ILE A 90 -1.754 -9.992 -0.825 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.368 -7.206 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.070 -8.973 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.250 -9.384 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.459 -8.226 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.872 -7.281 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.752 -6.554 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.381 -6.273 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.714 -10.481 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.292 -9.716 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.079 -10.892 -1.229 1.00 0.00 H new ATOM 65 N LEU A 91 -3.511 -8.250 -3.068 1.00 0.00 N ATOM 66 CA LEU A 91 -4.665 -7.810 -3.899 1.00 0.00 C ATOM 67 C LEU A 91 -5.874 -7.345 -3.026 1.00 0.00 C ATOM 68 O LEU A 91 -6.327 -6.217 -3.223 1.00 0.00 O ATOM 69 CB LEU A 91 -4.998 -8.875 -4.984 1.00 0.00 C ATOM 70 CG LEU A 91 -5.490 -10.294 -4.568 1.00 0.00 C ATOM 71 CD1 LEU A 91 -7.029 -10.420 -4.549 1.00 0.00 C ATOM 72 CD2 LEU A 91 -4.901 -11.393 -5.475 1.00 0.00 C ATOM 0 H LEU A 91 -3.224 -9.216 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.385 -6.913 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.761 -8.446 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.102 -9.009 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.129 -10.434 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.308 -11.431 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.444 -9.705 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.423 -10.213 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.268 -12.367 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.204 -11.215 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.813 -11.375 -5.409 1.00 0.00 H new ATOM 84 N ARG A 92 -6.318 -8.117 -2.007 1.00 0.00 N ATOM 85 CA ARG A 92 -7.445 -7.714 -1.124 1.00 0.00 C ATOM 86 C ARG A 92 -7.124 -6.442 -0.268 1.00 0.00 C ATOM 87 O ARG A 92 -7.963 -5.532 -0.258 1.00 0.00 O ATOM 88 CB ARG A 92 -7.958 -8.947 -0.307 1.00 0.00 C ATOM 89 CG ARG A 92 -7.259 -9.278 1.036 1.00 0.00 C ATOM 90 CD ARG A 92 -7.476 -10.716 1.555 1.00 0.00 C ATOM 91 NE ARG A 92 -6.745 -10.862 2.842 1.00 0.00 N ATOM 92 CZ ARG A 92 -6.429 -12.015 3.433 1.00 0.00 C ATOM 93 NH1 ARG A 92 -6.727 -13.206 2.988 1.00 0.00 N ATOM 94 NH2 ARG A 92 -5.752 -11.991 4.539 1.00 0.00 N ATOM 0 H ARG A 92 -5.914 -9.024 -1.773 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.279 -7.390 -1.747 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.017 -8.793 -0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.882 -9.826 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.188 -9.108 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.613 -8.579 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.539 -10.912 1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.113 -11.441 0.827 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.460 -10.004 3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.246 -13.310 2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.441 -14.033 3.512 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.469 -11.099 4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.503 -12.864 5.003 1.00 0.00 H new ATOM 108 N ALA A 93 -5.923 -6.329 0.371 1.00 0.00 N ATOM 109 CA ALA A 93 -5.583 -5.142 1.183 1.00 0.00 C ATOM 110 C ALA A 93 -5.428 -3.878 0.325 1.00 0.00 C ATOM 111 O ALA A 93 -6.167 -2.944 0.626 1.00 0.00 O ATOM 112 CB ALA A 93 -4.358 -5.364 2.089 1.00 0.00 C ATOM 0 H ALA A 93 -5.191 -7.038 0.335 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.433 -4.983 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.159 -4.457 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.557 -6.188 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.490 -5.604 1.475 1.00 0.00 H new ATOM 118 N PHE A 94 -4.575 -3.832 -0.730 1.00 0.00 N ATOM 119 CA PHE A 94 -4.467 -2.611 -1.585 1.00 0.00 C ATOM 120 C PHE A 94 -5.805 -2.246 -2.280 1.00 0.00 C ATOM 121 O PHE A 94 -6.178 -1.071 -2.251 1.00 0.00 O ATOM 122 CB PHE A 94 -3.349 -2.690 -2.665 1.00 0.00 C ATOM 123 CG PHE A 94 -2.921 -1.319 -3.264 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.781 -0.605 -4.113 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.704 -0.737 -2.903 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.460 0.680 -4.532 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.342 0.514 -3.399 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.227 1.225 -4.210 1.00 0.00 C ATOM 0 H PHE A 94 -3.965 -4.601 -1.008 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.198 -1.826 -0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.473 -3.168 -2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.691 -3.334 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.703 -1.060 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.038 -1.261 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.171 1.254 -5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.377 0.933 -3.156 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.952 2.199 -4.587 1.00 0.00 H new ATOM 138 N LYS A 95 -6.502 -3.220 -2.903 1.00 0.00 N ATOM 139 CA LYS A 95 -7.796 -2.941 -3.590 1.00 0.00 C ATOM 140 C LYS A 95 -8.897 -2.418 -2.584 1.00 0.00 C ATOM 141 O LYS A 95 -9.716 -1.602 -3.016 1.00 0.00 O ATOM 142 CB LYS A 95 -8.153 -4.149 -4.504 1.00 0.00 C ATOM 143 CG LYS A 95 -7.067 -4.461 -5.593 1.00 0.00 C ATOM 144 CD LYS A 95 -7.331 -5.730 -6.424 1.00 0.00 C ATOM 145 CE LYS A 95 -6.113 -6.075 -7.310 1.00 0.00 C ATOM 146 NZ LYS A 95 -6.440 -7.241 -8.174 1.00 0.00 N ATOM 0 H LYS A 95 -6.203 -4.194 -2.949 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.718 -2.095 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.296 -5.033 -3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.104 -3.950 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.996 -3.609 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.099 -4.560 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.550 -6.565 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.211 -5.582 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.844 -5.217 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.249 -6.303 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.620 -7.472 -8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.677 -8.059 -7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.253 -7.007 -8.779 1.00 0.00 H new ATOM 160 N VAL A 96 -8.914 -2.826 -1.278 1.00 0.00 N ATOM 161 CA VAL A 96 -9.809 -2.195 -0.247 1.00 0.00 C ATOM 162 C VAL A 96 -9.300 -0.750 0.050 1.00 0.00 C ATOM 163 O VAL A 96 -10.098 0.191 0.097 1.00 0.00 O ATOM 164 CB VAL A 96 -9.874 -2.973 1.125 1.00 0.00 C ATOM 165 CG1 VAL A 96 -10.466 -2.227 2.358 1.00 0.00 C ATOM 166 CG2 VAL A 96 -10.706 -4.213 0.935 1.00 0.00 C ATOM 0 H VAL A 96 -8.328 -3.578 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.812 -2.210 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.825 -3.147 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.446 -2.886 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.872 -1.337 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.495 -1.936 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.761 -4.762 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.711 -3.932 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.250 -4.844 0.172 1.00 0.00 H new ATOM 176 N PHE A 97 -7.977 -0.619 0.287 1.00 0.00 N ATOM 177 CA PHE A 97 -7.302 0.635 0.622 1.00 0.00 C ATOM 178 C PHE A 97 -7.539 1.829 -0.367 1.00 0.00 C ATOM 179 O PHE A 97 -7.639 2.965 0.099 1.00 0.00 O ATOM 180 CB PHE A 97 -5.795 0.296 0.786 1.00 0.00 C ATOM 181 CG PHE A 97 -5.024 0.994 1.903 1.00 0.00 C ATOM 182 CD1 PHE A 97 -4.753 2.355 1.805 1.00 0.00 C ATOM 183 CD2 PHE A 97 -4.424 0.241 2.925 1.00 0.00 C ATOM 184 CE1 PHE A 97 -3.839 2.941 2.663 1.00 0.00 C ATOM 185 CE2 PHE A 97 -3.569 0.855 3.837 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.273 2.208 3.703 1.00 0.00 C ATOM 0 H PHE A 97 -7.337 -1.413 0.247 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.739 1.019 1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.709 -0.779 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.297 0.522 -0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.256 2.954 1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.626 -0.817 3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.562 3.976 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.137 0.283 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.606 2.688 4.404 1.00 0.00 H new ATOM 196 N ASP A 98 -7.631 1.557 -1.695 1.00 0.00 N ATOM 197 CA ASP A 98 -7.888 2.544 -2.777 1.00 0.00 C ATOM 198 C ASP A 98 -9.322 3.166 -2.635 1.00 0.00 C ATOM 199 O ASP A 98 -10.331 2.607 -3.089 1.00 0.00 O ATOM 200 CB ASP A 98 -7.612 1.727 -4.086 1.00 0.00 C ATOM 201 CG ASP A 98 -7.988 2.297 -5.461 1.00 0.00 C ATOM 202 OD1 ASP A 98 -7.895 3.530 -5.668 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.355 1.501 -6.332 1.00 0.00 O ATOM 0 H ASP A 98 -7.524 0.609 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.254 3.430 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.544 1.511 -4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.128 0.772 -3.983 1.00 0.00 H new ATOM 208 N ALA A 99 -9.384 4.321 -1.943 1.00 0.00 N ATOM 209 CA ALA A 99 -10.647 5.072 -1.691 1.00 0.00 C ATOM 210 C ALA A 99 -11.291 5.707 -2.956 1.00 0.00 C ATOM 211 O ALA A 99 -12.514 5.622 -3.105 1.00 0.00 O ATOM 212 CB ALA A 99 -10.421 6.126 -0.587 1.00 0.00 C ATOM 0 H ALA A 99 -8.561 4.767 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.375 4.334 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.348 6.671 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.109 5.629 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.646 6.824 -0.903 1.00 0.00 H new ATOM 218 N ASN A 100 -10.488 6.325 -3.851 1.00 0.00 N ATOM 219 CA ASN A 100 -11.010 6.931 -5.118 1.00 0.00 C ATOM 220 C ASN A 100 -11.610 5.876 -6.131 1.00 0.00 C ATOM 221 O ASN A 100 -12.503 6.264 -6.892 1.00 0.00 O ATOM 222 CB ASN A 100 -9.970 7.879 -5.815 1.00 0.00 C ATOM 223 CG ASN A 100 -10.407 8.466 -7.185 1.00 0.00 C ATOM 224 OD1 ASN A 100 -10.133 7.827 -8.203 1.00 0.00 O ATOM 225 ND2 ASN A 100 -11.130 9.581 -7.295 1.00 0.00 N ATOM 0 H ASN A 100 -9.480 6.422 -3.730 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.848 7.552 -4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -9.750 8.706 -5.140 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -9.041 7.327 -5.957 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -11.448 9.894 -8.212 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -11.365 10.121 -6.462 1.00 0.00 H new ATOM 232 N GLY A 101 -11.179 4.594 -6.167 1.00 0.00 N ATOM 233 CA GLY A 101 -11.695 3.606 -7.141 1.00 0.00 C ATOM 234 C GLY A 101 -11.108 3.615 -8.580 1.00 0.00 C ATOM 235 O GLY A 101 -11.569 2.797 -9.381 1.00 0.00 O ATOM 0 H GLY A 101 -10.474 4.220 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.535 2.612 -6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.773 3.749 -7.221 1.00 0.00 H new ATOM 239 N ASP A 102 -10.095 4.453 -8.911 1.00 0.00 N ATOM 240 CA ASP A 102 -9.411 4.428 -10.240 1.00 0.00 C ATOM 241 C ASP A 102 -8.054 3.617 -10.252 1.00 0.00 C ATOM 242 O ASP A 102 -7.485 3.419 -11.334 1.00 0.00 O ATOM 243 CB ASP A 102 -9.220 5.872 -10.799 1.00 0.00 C ATOM 244 CG ASP A 102 -8.147 6.793 -10.197 1.00 0.00 C ATOM 245 OD1 ASP A 102 -7.485 6.427 -9.197 1.00 0.00 O ATOM 246 OD2 ASP A 102 -7.975 7.908 -10.734 1.00 0.00 O ATOM 0 H ASP A 102 -9.727 5.161 -8.275 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.078 3.881 -10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.009 5.782 -11.865 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.177 6.385 -10.706 1.00 0.00 H new ATOM 251 N GLY A 103 -7.573 3.121 -9.088 1.00 0.00 N ATOM 252 CA GLY A 103 -6.305 2.395 -8.944 1.00 0.00 C ATOM 253 C GLY A 103 -5.194 3.120 -8.141 1.00 0.00 C ATOM 254 O GLY A 103 -4.089 2.572 -8.140 1.00 0.00 O ATOM 0 H GLY A 103 -8.074 3.221 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.509 1.439 -8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.921 2.174 -9.940 1.00 0.00 H new ATOM 258 N VAL A 104 -5.436 4.277 -7.460 1.00 0.00 N ATOM 259 CA VAL A 104 -4.391 4.986 -6.676 1.00 0.00 C ATOM 260 C VAL A 104 -4.788 5.271 -5.194 1.00 0.00 C ATOM 261 O VAL A 104 -5.954 5.441 -4.823 1.00 0.00 O ATOM 262 CB VAL A 104 -3.896 6.285 -7.421 1.00 0.00 C ATOM 263 CG1 VAL A 104 -4.647 7.610 -7.149 1.00 0.00 C ATOM 264 CG2 VAL A 104 -2.380 6.451 -7.308 1.00 0.00 C ATOM 0 H VAL A 104 -6.347 4.735 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.551 4.295 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.171 6.082 -8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.193 8.412 -7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.693 7.501 -7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.585 7.852 -6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.073 7.356 -7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.100 6.528 -6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.885 5.588 -7.754 1.00 0.00 H new ATOM 274 N ILE A 105 -3.717 5.360 -4.393 1.00 0.00 N ATOM 275 CA ILE A 105 -3.740 5.669 -2.946 1.00 0.00 C ATOM 276 C ILE A 105 -3.003 7.014 -2.708 1.00 0.00 C ATOM 277 O ILE A 105 -1.853 7.154 -3.122 1.00 0.00 O ATOM 278 CB ILE A 105 -3.075 4.578 -2.020 1.00 0.00 C ATOM 279 CG1 ILE A 105 -3.925 3.286 -1.936 1.00 0.00 C ATOM 280 CG2 ILE A 105 -2.718 5.037 -0.565 1.00 0.00 C ATOM 281 CD1 ILE A 105 -3.192 2.158 -1.203 1.00 0.00 C ATOM 0 H ILE A 105 -2.771 5.214 -4.744 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.794 5.708 -2.671 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.128 4.387 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.862 3.502 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.182 2.956 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.268 4.206 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.013 5.867 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.625 5.357 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.827 1.273 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.268 1.921 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.958 2.476 -0.187 1.00 0.00 H new ATOM 293 N ASP A 106 -3.613 7.929 -1.931 1.00 0.00 N ATOM 294 CA ASP A 106 -2.969 9.211 -1.530 1.00 0.00 C ATOM 295 C ASP A 106 -2.599 9.184 0.007 1.00 0.00 C ATOM 296 O ASP A 106 -2.609 8.124 0.649 1.00 0.00 O ATOM 297 CB ASP A 106 -3.834 10.389 -2.068 1.00 0.00 C ATOM 298 CG ASP A 106 -5.031 10.923 -1.264 1.00 0.00 C ATOM 299 OD1 ASP A 106 -5.288 10.483 -0.119 1.00 0.00 O ATOM 300 OD2 ASP A 106 -5.711 11.828 -1.793 1.00 0.00 O ATOM 0 H ASP A 106 -4.557 7.810 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 106 -1.994 9.368 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.161 11.230 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.214 10.087 -3.044 1.00 0.00 H new ATOM 305 N PHE A 107 -2.203 10.330 0.600 1.00 0.00 N ATOM 306 CA PHE A 107 -1.830 10.399 2.051 1.00 0.00 C ATOM 307 C PHE A 107 -3.048 10.485 3.026 1.00 0.00 C ATOM 308 O PHE A 107 -3.076 9.754 4.027 1.00 0.00 O ATOM 309 CB PHE A 107 -0.788 11.523 2.320 1.00 0.00 C ATOM 310 CG PHE A 107 0.064 11.263 3.581 1.00 0.00 C ATOM 311 CD1 PHE A 107 1.125 10.352 3.535 1.00 0.00 C ATOM 312 CD2 PHE A 107 -0.270 11.865 4.801 1.00 0.00 C ATOM 313 CE1 PHE A 107 1.834 10.040 4.692 1.00 0.00 C ATOM 314 CE2 PHE A 107 0.446 11.557 5.956 1.00 0.00 C ATOM 315 CZ PHE A 107 1.498 10.647 5.900 1.00 0.00 C ATOM 0 H PHE A 107 -2.130 11.222 0.110 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.360 9.441 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.130 11.616 1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.308 12.475 2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 107 1.395 9.889 2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.086 12.571 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.645 9.327 4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.185 12.024 6.894 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.055 10.411 6.795 1.00 0.00 H new ATOM 325 N ASP A 108 -4.033 11.372 2.748 1.00 0.00 N ATOM 326 CA ASP A 108 -5.273 11.508 3.585 1.00 0.00 C ATOM 327 C ASP A 108 -6.062 10.151 3.707 1.00 0.00 C ATOM 328 O ASP A 108 -6.442 9.772 4.823 1.00 0.00 O ATOM 329 CB ASP A 108 -6.181 12.682 3.116 1.00 0.00 C ATOM 330 CG ASP A 108 -5.585 14.082 3.301 1.00 0.00 C ATOM 331 OD1 ASP A 108 -5.435 14.513 4.468 1.00 0.00 O ATOM 332 OD2 ASP A 108 -5.274 14.754 2.297 1.00 0.00 O ATOM 0 H ASP A 108 -4.003 12.009 1.952 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.939 11.763 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.414 12.540 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.124 12.631 3.661 1.00 0.00 H new ATOM 337 N GLU A 109 -6.257 9.400 2.596 1.00 0.00 N ATOM 338 CA GLU A 109 -6.895 8.050 2.620 1.00 0.00 C ATOM 339 C GLU A 109 -6.078 7.006 3.485 1.00 0.00 C ATOM 340 O GLU A 109 -6.674 6.240 4.255 1.00 0.00 O ATOM 341 CB GLU A 109 -7.172 7.615 1.159 1.00 0.00 C ATOM 342 CG GLU A 109 -6.008 7.018 0.366 1.00 0.00 C ATOM 343 CD GLU A 109 -6.488 6.509 -0.972 1.00 0.00 C ATOM 344 OE1 GLU A 109 -6.635 7.316 -1.912 1.00 0.00 O ATOM 345 OE2 GLU A 109 -6.695 5.289 -1.096 1.00 0.00 O ATOM 0 H GLU A 109 -5.981 9.705 1.663 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.853 8.096 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -7.979 6.883 1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.540 8.484 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -5.235 7.772 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.555 6.203 0.931 1.00 0.00 H new ATOM 352 N PHE A 110 -4.719 7.015 3.352 1.00 0.00 N ATOM 353 CA PHE A 110 -3.769 6.192 4.164 1.00 0.00 C ATOM 354 C PHE A 110 -4.010 6.449 5.676 1.00 0.00 C ATOM 355 O PHE A 110 -4.201 5.476 6.414 1.00 0.00 O ATOM 356 CB PHE A 110 -2.299 6.444 3.706 1.00 0.00 C ATOM 357 CG PHE A 110 -1.272 5.309 3.880 1.00 0.00 C ATOM 358 CD1 PHE A 110 -0.772 5.006 5.148 1.00 0.00 C ATOM 359 CD2 PHE A 110 -0.749 4.641 2.765 1.00 0.00 C ATOM 360 CE1 PHE A 110 0.251 4.074 5.301 1.00 0.00 C ATOM 361 CE2 PHE A 110 0.258 3.689 2.920 1.00 0.00 C ATOM 362 CZ PHE A 110 0.762 3.413 4.187 1.00 0.00 C ATOM 0 H PHE A 110 -4.245 7.603 2.667 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.953 5.131 3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.322 6.712 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.927 7.314 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.182 5.499 6.017 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.128 4.865 1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.648 3.864 6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.646 3.167 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.551 2.685 4.307 1.00 0.00 H new ATOM 372 N LYS A 111 -4.082 7.735 6.119 1.00 0.00 N ATOM 373 CA LYS A 111 -4.429 8.064 7.524 1.00 0.00 C ATOM 374 C LYS A 111 -5.845 7.477 7.862 1.00 0.00 C ATOM 375 O LYS A 111 -5.916 6.565 8.683 1.00 0.00 O ATOM 376 CB LYS A 111 -4.324 9.586 7.818 1.00 0.00 C ATOM 377 CG LYS A 111 -2.886 10.148 7.944 1.00 0.00 C ATOM 378 CD LYS A 111 -2.556 10.661 9.364 1.00 0.00 C ATOM 379 CE LYS A 111 -3.244 11.998 9.688 1.00 0.00 C ATOM 380 NZ LYS A 111 -3.117 12.323 11.129 1.00 0.00 N ATOM 0 H LYS A 111 -3.906 8.549 5.529 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.698 7.597 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.838 10.127 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.859 9.796 8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -2.173 9.370 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -2.757 10.963 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.862 9.913 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.477 10.780 9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.800 12.794 9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.298 11.945 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -3.338 13.328 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.779 11.737 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.144 12.132 11.444 1.00 0.00 H new ATOM 394 N PHE A 112 -6.932 7.883 7.173 1.00 0.00 N ATOM 395 CA PHE A 112 -8.307 7.328 7.389 1.00 0.00 C ATOM 396 C PHE A 112 -8.422 5.771 7.586 1.00 0.00 C ATOM 397 O PHE A 112 -9.196 5.330 8.440 1.00 0.00 O ATOM 398 CB PHE A 112 -9.174 7.867 6.198 1.00 0.00 C ATOM 399 CG PHE A 112 -10.474 7.134 5.791 1.00 0.00 C ATOM 400 CD1 PHE A 112 -11.547 7.039 6.684 1.00 0.00 C ATOM 401 CD2 PHE A 112 -10.576 6.520 4.535 1.00 0.00 C ATOM 402 CE1 PHE A 112 -12.712 6.369 6.318 1.00 0.00 C ATOM 403 CE2 PHE A 112 -11.746 5.858 4.168 1.00 0.00 C ATOM 404 CZ PHE A 112 -12.813 5.784 5.059 1.00 0.00 C ATOM 0 H PHE A 112 -6.893 8.602 6.451 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.670 7.671 8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -9.443 8.897 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.531 7.899 5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -11.471 7.488 7.663 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -9.743 6.560 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -13.537 6.303 7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -11.825 5.402 3.192 1.00 0.00 H new ATOM 0 HZ PHE A 112 -13.720 5.272 4.773 1.00 0.00 H new ATOM 414 N ILE A 113 -7.668 4.974 6.806 1.00 0.00 N ATOM 415 CA ILE A 113 -7.725 3.487 6.853 1.00 0.00 C ATOM 416 C ILE A 113 -6.719 2.711 7.766 1.00 0.00 C ATOM 417 O ILE A 113 -7.144 1.750 8.411 1.00 0.00 O ATOM 418 CB ILE A 113 -7.732 3.052 5.342 1.00 0.00 C ATOM 419 CG1 ILE A 113 -9.179 3.096 4.795 1.00 0.00 C ATOM 420 CG2 ILE A 113 -7.104 1.686 5.044 1.00 0.00 C ATOM 421 CD1 ILE A 113 -9.385 2.926 3.280 1.00 0.00 C ATOM 0 H ILE A 113 -7.001 5.335 6.124 1.00 0.00 H new ATOM 0 HA ILE A 113 -8.622 3.187 7.395 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.091 3.773 4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -9.750 2.316 5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -9.617 4.051 5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.161 1.485 3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.060 1.689 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.643 0.911 5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.449 2.979 3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.858 3.720 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -8.994 1.958 2.966 1.00 0.00 H new ATOM 433 N MET A 114 -5.425 3.067 7.741 1.00 0.00 N ATOM 434 CA MET A 114 -4.313 2.379 8.471 1.00 0.00 C ATOM 435 C MET A 114 -4.589 1.731 9.863 1.00 0.00 C ATOM 436 O MET A 114 -4.245 0.561 10.052 1.00 0.00 O ATOM 437 CB MET A 114 -3.154 3.404 8.541 1.00 0.00 C ATOM 438 CG MET A 114 -1.845 3.007 9.240 1.00 0.00 C ATOM 439 SD MET A 114 -0.695 2.279 8.053 1.00 0.00 S ATOM 440 CE MET A 114 0.877 2.522 8.903 1.00 0.00 C ATOM 0 H MET A 114 -5.098 3.866 7.198 1.00 0.00 H new ATOM 0 HA MET A 114 -4.095 1.479 7.897 1.00 0.00 H new ATOM 0 HB2 MET A 114 -2.907 3.690 7.519 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.534 4.296 9.038 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.393 3.883 9.704 1.00 0.00 H new ATOM 0 HG3 MET A 114 -2.053 2.295 10.039 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.686 2.122 8.292 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.040 3.587 9.069 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.856 2.004 9.862 1.00 0.00 H new ATOM 575 N THR A 123 0.025 9.855 14.909 1.00 0.00 N ATOM 576 CA THR A 123 1.467 10.102 15.105 1.00 0.00 C ATOM 577 C THR A 123 2.324 10.498 13.880 1.00 0.00 C ATOM 578 O THR A 123 3.497 10.779 14.124 1.00 0.00 O ATOM 579 CB THR A 123 2.073 8.707 15.496 1.00 0.00 C ATOM 580 OG1 THR A 123 1.168 7.631 15.787 1.00 0.00 O ATOM 581 CG2 THR A 123 2.922 8.884 16.721 1.00 0.00 C ATOM 0 HA THR A 123 1.505 10.934 15.808 1.00 0.00 H new ATOM 0 HB THR A 123 2.602 8.405 14.592 1.00 0.00 H new ATOM 0 HG1 THR A 123 0.249 7.918 15.604 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.352 7.924 17.008 1.00 0.00 H new ATOM 0 HG22 THR A 123 3.724 9.592 16.509 1.00 0.00 H new ATOM 0 HG23 THR A 123 2.308 9.265 17.537 1.00 0.00 H new ATOM 589 N ASP A 124 1.664 10.863 12.796 1.00 0.00 N ATOM 590 CA ASP A 124 2.094 11.020 11.372 1.00 0.00 C ATOM 591 C ASP A 124 3.552 10.771 10.827 1.00 0.00 C ATOM 592 O ASP A 124 3.766 10.665 9.612 1.00 0.00 O ATOM 593 CB ASP A 124 1.658 12.481 11.108 1.00 0.00 C ATOM 594 CG ASP A 124 0.156 12.757 10.926 1.00 0.00 C ATOM 595 OD1 ASP A 124 -0.631 12.595 11.887 1.00 0.00 O ATOM 596 OD2 ASP A 124 -0.260 13.122 9.807 1.00 0.00 O ATOM 0 H ASP A 124 0.674 11.093 12.881 1.00 0.00 H new ATOM 0 HA ASP A 124 1.655 10.179 10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.013 13.092 11.938 1.00 0.00 H new ATOM 0 HB3 ASP A 124 2.174 12.828 10.213 1.00 0.00 H new ATOM 601 N ALA A 125 4.483 10.535 11.738 1.00 0.00 N ATOM 602 CA ALA A 125 5.882 10.135 11.478 1.00 0.00 C ATOM 603 C ALA A 125 5.895 8.621 11.085 1.00 0.00 C ATOM 604 O ALA A 125 6.516 8.278 10.071 1.00 0.00 O ATOM 605 CB ALA A 125 6.767 10.442 12.698 1.00 0.00 C ATOM 0 H ALA A 125 4.286 10.618 12.735 1.00 0.00 H new ATOM 0 HA ALA A 125 6.300 10.709 10.651 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.793 10.141 12.488 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.738 11.511 12.908 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.397 9.892 13.563 1.00 0.00 H new ATOM 611 N GLU A 126 5.214 7.725 11.860 1.00 0.00 N ATOM 612 CA GLU A 126 5.065 6.278 11.512 1.00 0.00 C ATOM 613 C GLU A 126 4.422 6.022 10.093 1.00 0.00 C ATOM 614 O GLU A 126 4.900 5.189 9.308 1.00 0.00 O ATOM 615 CB GLU A 126 4.263 5.656 12.697 1.00 0.00 C ATOM 616 CG GLU A 126 2.799 6.131 12.935 1.00 0.00 C ATOM 617 CD GLU A 126 1.666 5.235 12.454 1.00 0.00 C ATOM 618 OE1 GLU A 126 1.802 4.556 11.416 1.00 0.00 O ATOM 619 OE2 GLU A 126 0.611 5.236 13.118 1.00 0.00 O ATOM 0 H GLU A 126 4.757 7.982 12.735 1.00 0.00 H new ATOM 0 HA GLU A 126 6.037 5.797 11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.241 4.576 12.552 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.825 5.843 13.612 1.00 0.00 H new ATOM 0 HG2 GLU A 126 2.669 6.286 14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.682 7.103 12.455 1.00 0.00 H new ATOM 626 N VAL A 127 3.382 6.831 9.788 1.00 0.00 N ATOM 627 CA VAL A 127 2.623 6.835 8.516 1.00 0.00 C ATOM 628 C VAL A 127 3.532 7.352 7.365 1.00 0.00 C ATOM 629 O VAL A 127 3.575 6.689 6.328 1.00 0.00 O ATOM 630 CB VAL A 127 1.289 7.657 8.612 1.00 0.00 C ATOM 631 CG1 VAL A 127 0.260 7.129 7.597 1.00 0.00 C ATOM 632 CG2 VAL A 127 0.557 7.701 9.967 1.00 0.00 C ATOM 0 H VAL A 127 3.034 7.527 10.448 1.00 0.00 H new ATOM 0 HA VAL A 127 2.326 5.809 8.300 1.00 0.00 H new ATOM 0 HB VAL A 127 1.644 8.670 8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.659 7.709 7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.663 7.223 6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.047 6.081 7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.345 8.306 9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.285 6.689 10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.212 8.139 10.720 1.00 0.00 H new ATOM 642 N GLU A 128 4.240 8.506 7.523 1.00 0.00 N ATOM 643 CA GLU A 128 5.205 9.001 6.495 1.00 0.00 C ATOM 644 C GLU A 128 6.336 7.953 6.207 1.00 0.00 C ATOM 645 O GLU A 128 6.622 7.708 5.032 1.00 0.00 O ATOM 646 CB GLU A 128 5.701 10.403 6.948 1.00 0.00 C ATOM 647 CG GLU A 128 6.670 11.155 5.996 1.00 0.00 C ATOM 648 CD GLU A 128 6.089 11.642 4.676 1.00 0.00 C ATOM 649 OE1 GLU A 128 5.509 12.746 4.646 1.00 0.00 O ATOM 650 OE2 GLU A 128 6.237 10.929 3.661 1.00 0.00 O ATOM 0 H GLU A 128 4.163 9.107 8.344 1.00 0.00 H new ATOM 0 HA GLU A 128 4.724 9.120 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.827 11.035 7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.195 10.291 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 128 7.071 12.016 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 128 7.510 10.497 5.776 1.00 0.00 H new ATOM 657 N GLU A 129 6.937 7.290 7.225 1.00 0.00 N ATOM 658 CA GLU A 129 7.957 6.223 7.005 1.00 0.00 C ATOM 659 C GLU A 129 7.364 5.011 6.191 1.00 0.00 C ATOM 660 O GLU A 129 7.894 4.686 5.117 1.00 0.00 O ATOM 661 CB GLU A 129 8.601 5.815 8.366 1.00 0.00 C ATOM 662 CG GLU A 129 10.070 5.314 8.301 1.00 0.00 C ATOM 663 CD GLU A 129 10.369 4.108 7.419 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.109 2.964 7.847 1.00 0.00 O ATOM 665 OE2 GLU A 129 10.875 4.312 6.292 1.00 0.00 O ATOM 0 H GLU A 129 6.736 7.472 8.208 1.00 0.00 H new ATOM 0 HA GLU A 129 8.760 6.615 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.560 6.673 9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.990 5.031 8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.692 6.142 7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.388 5.074 9.316 1.00 0.00 H new ATOM 672 N ALA A 130 6.232 4.412 6.651 1.00 0.00 N ATOM 673 CA ALA A 130 5.566 3.286 5.934 1.00 0.00 C ATOM 674 C ALA A 130 5.090 3.604 4.479 1.00 0.00 C ATOM 675 O ALA A 130 5.308 2.784 3.579 1.00 0.00 O ATOM 676 CB ALA A 130 4.406 2.765 6.803 1.00 0.00 C ATOM 0 H ALA A 130 5.762 4.688 7.513 1.00 0.00 H new ATOM 0 HA ALA A 130 6.325 2.516 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.909 1.941 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.796 2.416 7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.690 3.569 6.975 1.00 0.00 H new ATOM 682 N MET A 131 4.463 4.783 4.245 1.00 0.00 N ATOM 683 CA MET A 131 4.008 5.211 2.890 1.00 0.00 C ATOM 684 C MET A 131 5.226 5.583 1.995 1.00 0.00 C ATOM 685 O MET A 131 5.181 5.224 0.821 1.00 0.00 O ATOM 686 CB MET A 131 2.949 6.329 3.060 1.00 0.00 C ATOM 687 CG MET A 131 2.073 6.635 1.842 1.00 0.00 C ATOM 688 SD MET A 131 3.017 7.485 0.568 1.00 0.00 S ATOM 689 CE MET A 131 1.666 8.001 -0.504 1.00 0.00 C ATOM 0 H MET A 131 4.258 5.461 4.979 1.00 0.00 H new ATOM 0 HA MET A 131 3.520 4.397 2.355 1.00 0.00 H new ATOM 0 HB2 MET A 131 2.296 6.057 3.889 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.464 7.245 3.348 1.00 0.00 H new ATOM 0 HG2 MET A 131 1.666 5.707 1.440 1.00 0.00 H new ATOM 0 HG3 MET A 131 1.226 7.251 2.144 1.00 0.00 H new ATOM 0 HE1 MET A 131 1.942 7.830 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 131 0.772 7.425 -0.266 1.00 0.00 H new ATOM 0 HE3 MET A 131 1.465 9.061 -0.351 1.00 0.00 H new ATOM 699 N LYS A 132 6.287 6.283 2.487 1.00 0.00 N ATOM 700 CA LYS A 132 7.535 6.524 1.692 1.00 0.00 C ATOM 701 C LYS A 132 8.209 5.154 1.303 1.00 0.00 C ATOM 702 O LYS A 132 8.760 5.062 0.204 1.00 0.00 O ATOM 703 CB LYS A 132 8.455 7.510 2.464 1.00 0.00 C ATOM 704 CG LYS A 132 9.932 7.669 1.991 1.00 0.00 C ATOM 705 CD LYS A 132 11.004 7.214 3.019 1.00 0.00 C ATOM 706 CE LYS A 132 11.050 5.717 3.412 1.00 0.00 C ATOM 707 NZ LYS A 132 11.518 4.841 2.298 1.00 0.00 N ATOM 0 H LYS A 132 6.307 6.689 3.422 1.00 0.00 H new ATOM 0 HA LYS A 132 7.307 7.006 0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 132 7.988 8.494 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 132 8.472 7.199 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 132 10.067 7.099 1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 132 10.108 8.716 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 132 11.982 7.484 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 132 10.859 7.794 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 132 11.711 5.591 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 132 10.056 5.398 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.513 3.849 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.884 4.950 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 12.484 5.113 2.025 1.00 0.00 H new ATOM 721 N GLU A 133 8.218 4.112 2.175 1.00 0.00 N ATOM 722 CA GLU A 133 8.746 2.771 1.808 1.00 0.00 C ATOM 723 C GLU A 133 7.825 2.030 0.774 1.00 0.00 C ATOM 724 O GLU A 133 8.355 1.304 -0.069 1.00 0.00 O ATOM 725 CB GLU A 133 9.055 1.975 3.103 1.00 0.00 C ATOM 726 CG GLU A 133 10.022 0.773 2.899 1.00 0.00 C ATOM 727 CD GLU A 133 11.424 1.074 2.364 1.00 0.00 C ATOM 728 OE1 GLU A 133 11.913 2.221 2.495 1.00 0.00 O ATOM 729 OE2 GLU A 133 12.035 0.146 1.789 1.00 0.00 O ATOM 0 H GLU A 133 7.868 4.174 3.131 1.00 0.00 H new ATOM 0 HA GLU A 133 9.688 2.877 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.487 2.654 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.118 1.606 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.130 0.263 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.545 0.071 2.215 1.00 0.00 H new ATOM 736 N ALA A 134 6.480 2.200 0.834 1.00 0.00 N ATOM 737 CA ALA A 134 5.544 1.609 -0.158 1.00 0.00 C ATOM 738 C ALA A 134 5.452 2.391 -1.525 1.00 0.00 C ATOM 739 O ALA A 134 5.122 1.775 -2.542 1.00 0.00 O ATOM 740 CB ALA A 134 4.191 1.359 0.502 1.00 0.00 C ATOM 0 H ALA A 134 6.017 2.744 1.562 1.00 0.00 H new ATOM 0 HA ALA A 134 5.959 0.649 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.505 0.926 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.316 0.670 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.784 2.302 0.867 1.00 0.00 H new ATOM 746 N ASP A 135 5.737 3.736 -1.576 1.00 0.00 N ATOM 747 CA ASP A 135 5.847 4.499 -2.851 1.00 0.00 C ATOM 748 C ASP A 135 7.356 4.308 -3.244 1.00 0.00 C ATOM 749 O ASP A 135 8.256 4.998 -2.744 1.00 0.00 O ATOM 750 CB ASP A 135 5.559 6.027 -2.881 1.00 0.00 C ATOM 751 CG ASP A 135 5.925 6.681 -4.267 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.974 6.104 -5.333 1.00 0.00 O ATOM 753 OD2 ASP A 135 6.066 7.975 -4.208 1.00 0.00 O ATOM 0 H ASP A 135 5.893 4.305 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 135 5.066 4.110 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.504 6.199 -2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 135 6.127 6.517 -2.090 1.00 0.00 H new ATOM 758 N GLU A 136 7.616 3.367 -4.136 1.00 0.00 N ATOM 759 CA GLU A 136 8.995 3.100 -4.637 1.00 0.00 C ATOM 760 C GLU A 136 9.487 4.039 -5.807 1.00 0.00 C ATOM 761 O GLU A 136 10.683 4.053 -6.113 1.00 0.00 O ATOM 762 CB GLU A 136 9.081 1.571 -4.871 1.00 0.00 C ATOM 763 CG GLU A 136 8.998 0.778 -3.522 1.00 0.00 C ATOM 764 CD GLU A 136 10.141 -0.128 -3.045 1.00 0.00 C ATOM 765 OE1 GLU A 136 10.201 -1.299 -3.473 1.00 0.00 O ATOM 766 OE2 GLU A 136 10.946 0.280 -2.174 1.00 0.00 O ATOM 0 H GLU A 136 6.902 2.762 -4.542 1.00 0.00 H new ATOM 0 HA GLU A 136 9.740 3.385 -3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.271 1.257 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.016 1.331 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.828 1.512 -2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 136 8.104 0.156 -3.576 1.00 0.00 H new ATOM 773 N ASP A 137 8.582 4.803 -6.460 1.00 0.00 N ATOM 774 CA ASP A 137 8.911 5.654 -7.649 1.00 0.00 C ATOM 775 C ASP A 137 9.336 7.139 -7.416 1.00 0.00 C ATOM 776 O ASP A 137 9.939 7.741 -8.316 1.00 0.00 O ATOM 777 CB ASP A 137 7.665 5.516 -8.581 1.00 0.00 C ATOM 778 CG ASP A 137 7.543 6.456 -9.786 1.00 0.00 C ATOM 779 OD1 ASP A 137 7.093 7.607 -9.587 1.00 0.00 O ATOM 780 OD2 ASP A 137 7.908 6.064 -10.916 1.00 0.00 O ATOM 0 H ASP A 137 7.601 4.854 -6.185 1.00 0.00 H new ATOM 0 HA ASP A 137 9.842 5.286 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 137 7.644 4.493 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.775 5.649 -7.966 1.00 0.00 H new ATOM 785 N GLY A 138 9.124 7.714 -6.222 1.00 0.00 N ATOM 786 CA GLY A 138 9.384 9.149 -5.967 1.00 0.00 C ATOM 787 C GLY A 138 8.243 10.121 -6.417 1.00 0.00 C ATOM 788 O GLY A 138 8.421 11.335 -6.290 1.00 0.00 O ATOM 0 H GLY A 138 8.771 7.208 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.557 9.287 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.304 9.432 -6.479 1.00 0.00 H new ATOM 792 N ASN A 139 7.072 9.609 -6.876 1.00 0.00 N ATOM 793 CA ASN A 139 5.885 10.421 -7.253 1.00 0.00 C ATOM 794 C ASN A 139 5.135 10.933 -5.988 1.00 0.00 C ATOM 795 O ASN A 139 4.844 12.132 -5.937 1.00 0.00 O ATOM 796 CB ASN A 139 4.968 9.615 -8.228 1.00 0.00 C ATOM 797 CG ASN A 139 3.444 9.904 -8.314 1.00 0.00 C ATOM 798 OD1 ASN A 139 2.628 9.005 -8.119 1.00 0.00 O ATOM 799 ND2 ASN A 139 3.007 11.129 -8.568 1.00 0.00 N ATOM 0 H ASN A 139 6.924 8.607 -6.996 1.00 0.00 H new ATOM 0 HA ASN A 139 6.213 11.311 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 139 5.375 9.746 -9.231 1.00 0.00 H new ATOM 0 HB3 ASN A 139 5.079 8.561 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 139 2.005 11.317 -8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 139 3.673 11.884 -8.732 1.00 0.00 H new ATOM 806 N GLY A 140 4.812 10.057 -5.009 1.00 0.00 N ATOM 807 CA GLY A 140 4.060 10.489 -3.809 1.00 0.00 C ATOM 808 C GLY A 140 2.617 9.955 -3.662 1.00 0.00 C ATOM 809 O GLY A 140 2.081 10.154 -2.572 1.00 0.00 O ATOM 0 H GLY A 140 5.055 9.066 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.625 10.188 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 140 4.021 11.578 -3.806 1.00 0.00 H new ATOM 813 N VAL A 141 1.946 9.395 -4.701 1.00 0.00 N ATOM 814 CA VAL A 141 0.587 8.780 -4.549 1.00 0.00 C ATOM 815 C VAL A 141 0.785 7.442 -5.314 1.00 0.00 C ATOM 816 O VAL A 141 1.109 7.357 -6.503 1.00 0.00 O ATOM 817 CB VAL A 141 -0.671 9.665 -4.876 1.00 0.00 C ATOM 818 CG1 VAL A 141 -0.554 11.046 -4.215 1.00 0.00 C ATOM 819 CG2 VAL A 141 -1.253 9.861 -6.279 1.00 0.00 C ATOM 0 H VAL A 141 2.315 9.353 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 141 0.285 8.635 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 141 -1.408 8.975 -4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -1.436 11.640 -4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -0.480 10.927 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 141 0.337 11.553 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.120 10.519 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -0.499 10.308 -6.927 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -1.555 8.896 -6.686 1.00 0.00 H new ATOM 829 N ILE A 142 0.563 6.391 -4.525 1.00 0.00 N ATOM 830 CA ILE A 142 0.825 4.999 -4.907 1.00 0.00 C ATOM 831 C ILE A 142 -0.221 4.351 -5.833 1.00 0.00 C ATOM 832 O ILE A 142 -1.395 4.284 -5.492 1.00 0.00 O ATOM 833 CB ILE A 142 0.900 4.055 -3.637 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.465 4.597 -2.274 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.680 2.799 -4.030 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.749 3.530 -1.212 1.00 0.00 C ATOM 0 H ILE A 142 0.188 6.483 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 142 1.770 5.078 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.151 3.902 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.388 5.142 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.753 5.314 -1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.747 2.129 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.166 2.292 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.683 3.079 -4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.135 4.007 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.827 2.998 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.487 2.824 -1.593 1.00 0.00 H new ATOM 848 N ASP A 143 0.242 3.813 -6.960 1.00 0.00 N ATOM 849 CA ASP A 143 -0.595 3.011 -7.868 1.00 0.00 C ATOM 850 C ASP A 143 -0.422 1.532 -7.406 1.00 0.00 C ATOM 851 O ASP A 143 0.605 1.133 -6.833 1.00 0.00 O ATOM 852 CB ASP A 143 -0.262 3.296 -9.344 1.00 0.00 C ATOM 853 CG ASP A 143 1.136 3.016 -9.907 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.883 2.182 -9.347 1.00 0.00 O ATOM 855 OD2 ASP A 143 1.468 3.614 -10.950 1.00 0.00 O ATOM 0 H ASP A 143 1.207 3.917 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 143 -1.653 3.269 -7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -0.969 2.725 -9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.472 4.351 -9.520 1.00 0.00 H new ATOM 860 N ILE A 144 -1.437 0.692 -7.656 1.00 0.00 N ATOM 861 CA ILE A 144 -1.395 -0.736 -7.226 1.00 0.00 C ATOM 862 C ILE A 144 -0.079 -1.496 -7.670 1.00 0.00 C ATOM 863 O ILE A 144 0.438 -2.192 -6.792 1.00 0.00 O ATOM 864 CB ILE A 144 -2.671 -1.565 -7.660 1.00 0.00 C ATOM 865 CG1 ILE A 144 -4.046 -0.816 -7.720 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.755 -2.902 -6.863 1.00 0.00 C ATOM 867 CD1 ILE A 144 -5.338 -1.645 -7.586 1.00 0.00 C ATOM 0 H ILE A 144 -2.291 0.960 -8.146 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.391 -0.676 -6.138 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.494 -1.769 -8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.050 -0.065 -6.930 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -4.092 -0.281 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.639 -3.457 -7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.864 -3.499 -7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.821 -2.686 -5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -6.202 -0.984 -7.647 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -5.385 -2.379 -8.391 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -5.342 -2.159 -6.625 1.00 0.00 H new ATOM 879 N PRO A 145 0.525 -1.393 -8.902 1.00 0.00 N ATOM 880 CA PRO A 145 1.791 -2.080 -9.252 1.00 0.00 C ATOM 881 C PRO A 145 3.025 -1.791 -8.348 1.00 0.00 C ATOM 882 O PRO A 145 3.838 -2.702 -8.236 1.00 0.00 O ATOM 883 CB PRO A 145 2.017 -1.724 -10.732 1.00 0.00 C ATOM 884 CG PRO A 145 0.615 -1.421 -11.260 1.00 0.00 C ATOM 885 CD PRO A 145 -0.034 -0.703 -10.079 1.00 0.00 C ATOM 0 HA PRO A 145 1.687 -3.151 -9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.678 -0.864 -10.839 1.00 0.00 H new ATOM 0 HB3 PRO A 145 2.478 -2.549 -11.275 1.00 0.00 H new ATOM 0 HG2 PRO A 145 0.644 -0.793 -12.151 1.00 0.00 H new ATOM 0 HG3 PRO A 145 0.077 -2.330 -11.528 1.00 0.00 H new ATOM 0 HD2 PRO A 145 0.209 0.360 -10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -1.121 -0.781 -10.111 1.00 0.00 H new ATOM 893 N GLU A 146 3.200 -0.611 -7.694 1.00 0.00 N ATOM 894 CA GLU A 146 4.367 -0.365 -6.787 1.00 0.00 C ATOM 895 C GLU A 146 4.299 -1.264 -5.513 1.00 0.00 C ATOM 896 O GLU A 146 5.252 -2.017 -5.284 1.00 0.00 O ATOM 897 CB GLU A 146 4.513 1.150 -6.494 1.00 0.00 C ATOM 898 CG GLU A 146 5.012 1.985 -7.703 1.00 0.00 C ATOM 899 CD GLU A 146 6.391 1.640 -8.254 1.00 0.00 C ATOM 900 OE1 GLU A 146 7.398 2.103 -7.689 1.00 0.00 O ATOM 901 OE2 GLU A 146 6.469 0.895 -9.254 1.00 0.00 O ATOM 0 H GLU A 146 2.559 0.179 -7.773 1.00 0.00 H new ATOM 0 HA GLU A 146 5.286 -0.664 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.548 1.541 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 146 5.206 1.283 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 146 4.287 1.880 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 146 5.015 3.035 -7.412 1.00 0.00 H new ATOM 908 N PHE A 147 3.193 -1.247 -4.722 1.00 0.00 N ATOM 909 CA PHE A 147 3.025 -2.153 -3.554 1.00 0.00 C ATOM 910 C PHE A 147 3.021 -3.652 -4.017 1.00 0.00 C ATOM 911 O PHE A 147 3.725 -4.454 -3.398 1.00 0.00 O ATOM 912 CB PHE A 147 1.770 -1.724 -2.754 1.00 0.00 C ATOM 913 CG PHE A 147 1.338 -2.668 -1.613 1.00 0.00 C ATOM 914 CD1 PHE A 147 1.908 -2.616 -0.337 1.00 0.00 C ATOM 915 CD2 PHE A 147 0.348 -3.617 -1.881 1.00 0.00 C ATOM 916 CE1 PHE A 147 1.482 -3.508 0.649 1.00 0.00 C ATOM 917 CE2 PHE A 147 -0.107 -4.466 -0.878 1.00 0.00 C ATOM 918 CZ PHE A 147 0.470 -4.424 0.382 1.00 0.00 C ATOM 0 H PHE A 147 2.405 -0.616 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 147 3.871 -2.069 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 147 1.954 -0.736 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 147 0.937 -1.623 -3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.675 -1.889 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -0.067 -3.692 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.942 -3.487 1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.910 -5.159 -1.081 1.00 0.00 H new ATOM 0 HZ PHE A 147 0.135 -5.101 1.154 1.00 0.00 H new ATOM 928 N MET A 148 2.271 -4.012 -5.095 1.00 0.00 N ATOM 929 CA MET A 148 2.260 -5.396 -5.651 1.00 0.00 C ATOM 930 C MET A 148 3.711 -5.873 -6.006 1.00 0.00 C ATOM 931 O MET A 148 4.038 -6.980 -5.589 1.00 0.00 O ATOM 932 CB MET A 148 1.271 -5.631 -6.857 1.00 0.00 C ATOM 933 CG MET A 148 -0.153 -6.113 -6.543 1.00 0.00 C ATOM 934 SD MET A 148 -0.471 -7.703 -7.336 1.00 0.00 S ATOM 935 CE MET A 148 0.340 -8.831 -6.195 1.00 0.00 C ATOM 0 H MET A 148 1.665 -3.363 -5.597 1.00 0.00 H new ATOM 0 HA MET A 148 1.862 -6.014 -4.846 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.192 -4.695 -7.410 1.00 0.00 H new ATOM 0 HB3 MET A 148 1.729 -6.359 -7.527 1.00 0.00 H new ATOM 0 HG2 MET A 148 -0.283 -6.205 -5.465 1.00 0.00 H new ATOM 0 HG3 MET A 148 -0.877 -5.376 -6.889 1.00 0.00 H new ATOM 0 HE1 MET A 148 0.305 -9.843 -6.598 1.00 0.00 H new ATOM 0 HE2 MET A 148 1.379 -8.529 -6.062 1.00 0.00 H new ATOM 0 HE3 MET A 148 -0.172 -8.805 -5.233 1.00 0.00 H new ATOM 945 N ASP A 149 4.579 -5.097 -6.704 1.00 0.00 N ATOM 946 CA ASP A 149 5.982 -5.518 -6.990 1.00 0.00 C ATOM 947 C ASP A 149 6.900 -5.546 -5.712 1.00 0.00 C ATOM 948 O ASP A 149 7.711 -6.472 -5.580 1.00 0.00 O ATOM 949 CB ASP A 149 6.471 -4.652 -8.184 1.00 0.00 C ATOM 950 CG ASP A 149 7.064 -5.509 -9.307 1.00 0.00 C ATOM 951 OD1 ASP A 149 6.331 -6.387 -9.826 1.00 0.00 O ATOM 952 OD2 ASP A 149 8.241 -5.320 -9.662 1.00 0.00 O ATOM 0 H ASP A 149 4.337 -4.180 -7.079 1.00 0.00 H new ATOM 0 HA ASP A 149 6.036 -6.565 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 149 5.637 -4.068 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.221 -3.942 -7.835 1.00 0.00 H new ATOM 957 N LEU A 150 6.721 -4.587 -4.766 1.00 0.00 N ATOM 958 CA LEU A 150 7.420 -4.548 -3.450 1.00 0.00 C ATOM 959 C LEU A 150 7.149 -5.868 -2.644 1.00 0.00 C ATOM 960 O LEU A 150 8.102 -6.392 -2.061 1.00 0.00 O ATOM 961 CB LEU A 150 7.028 -3.210 -2.736 1.00 0.00 C ATOM 962 CG LEU A 150 7.107 -3.099 -1.177 1.00 0.00 C ATOM 963 CD1 LEU A 150 7.705 -1.764 -0.705 1.00 0.00 C ATOM 964 CD2 LEU A 150 5.716 -3.254 -0.526 1.00 0.00 C ATOM 0 H LEU A 150 6.078 -3.806 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 150 8.505 -4.533 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 150 7.662 -2.425 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 150 6.003 -2.977 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 150 7.763 -3.912 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 150 7.735 -1.744 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 150 8.716 -1.659 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 150 7.088 -0.941 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 150 5.810 -3.171 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 150 5.053 -2.471 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 150 5.302 -4.229 -0.781 1.00 0.00 H new ATOM 976 N ILE A 151 5.899 -6.415 -2.623 1.00 0.00 N ATOM 977 CA ILE A 151 5.610 -7.704 -1.936 1.00 0.00 C ATOM 978 C ILE A 151 6.052 -8.897 -2.859 1.00 0.00 C ATOM 979 O ILE A 151 6.648 -9.822 -2.306 1.00 0.00 O ATOM 980 CB ILE A 151 4.140 -7.857 -1.433 1.00 0.00 C ATOM 981 CG1 ILE A 151 3.501 -6.601 -0.760 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.030 -9.100 -0.503 1.00 0.00 C ATOM 983 CD1 ILE A 151 3.958 -6.259 0.653 1.00 0.00 C ATOM 0 H ILE A 151 5.087 -5.988 -3.069 1.00 0.00 H new ATOM 0 HA ILE A 151 6.199 -7.715 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 151 3.548 -7.990 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 151 3.699 -5.739 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 151 2.420 -6.741 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 151 3.003 -9.203 -0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 151 4.317 -9.994 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 151 4.693 -8.974 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 151 3.436 -5.367 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 151 3.733 -7.092 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 151 5.032 -6.074 0.653 1.00 0.00 H new ATOM 995 N LYS A 152 5.790 -8.922 -4.200 1.00 0.00 N ATOM 996 CA LYS A 152 6.261 -10.024 -5.120 1.00 0.00 C ATOM 997 C LYS A 152 7.785 -10.350 -4.939 1.00 0.00 C ATOM 998 O LYS A 152 8.145 -11.519 -4.758 1.00 0.00 O ATOM 999 CB LYS A 152 5.980 -9.728 -6.625 1.00 0.00 C ATOM 1000 CG LYS A 152 4.528 -9.816 -7.148 1.00 0.00 C ATOM 1001 CD LYS A 152 4.463 -9.622 -8.692 1.00 0.00 C ATOM 1002 CE LYS A 152 3.419 -8.622 -9.230 1.00 0.00 C ATOM 1003 NZ LYS A 152 3.910 -7.215 -9.148 1.00 0.00 N ATOM 0 H LYS A 152 5.256 -8.195 -4.675 1.00 0.00 H new ATOM 0 HA LYS A 152 5.675 -10.894 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 152 6.346 -8.723 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 152 6.584 -10.418 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 152 4.104 -10.785 -6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 152 3.918 -9.057 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 152 5.447 -9.301 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 152 4.268 -10.593 -9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 152 3.182 -8.865 -10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 152 2.495 -8.719 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 3.157 -6.566 -9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 4.177 -6.997 -8.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 4.739 -7.100 -9.766 1.00 0.00 H new