USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, 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 NoAdj-H: A 136 GLU H : A 136 GLU N : A 135 ASP O :(H bumps) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0863 K(o=-0.086,f=-0.76) USER MOD Single : A 111 LYS NZ :NH3+ 151:sc= 1.12 (180deg=1.07) USER MOD Single : A 114 MET CE :methyl -166:sc= -0.0746 (180deg=-0.209) USER MOD Single : A 123 THR OG1 : rot -31:sc= -0.222 USER MOD Single : A 131 MET CE :methyl -177:sc= 0 (180deg=-0.0138) USER MOD Single : A 132 LYS NZ :NH3+ -156:sc= 2.49 (180deg=2.13) USER MOD Single : A 139 ASN : amide:sc= -0.98 K(o=-0.98,f=-4.6!) USER MOD Single : A 148 MET CE :methyl -134:sc= -8.57! (180deg=-13.1!) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -3.303 -11.936 0.221 1.00 0.00 N ATOM 32 CA GLU A 89 -2.993 -11.012 1.361 1.00 0.00 C ATOM 33 C GLU A 89 -2.723 -9.535 0.910 1.00 0.00 C ATOM 34 O GLU A 89 -3.470 -8.608 1.265 1.00 0.00 O ATOM 35 CB GLU A 89 -1.864 -11.642 2.230 1.00 0.00 C ATOM 36 CG GLU A 89 -1.478 -10.864 3.520 1.00 0.00 C ATOM 37 CD GLU A 89 -2.578 -10.682 4.562 1.00 0.00 C ATOM 38 OE1 GLU A 89 -3.372 -9.726 4.437 1.00 0.00 O ATOM 39 OE2 GLU A 89 -2.639 -11.488 5.512 1.00 0.00 O ATOM 0 HA GLU A 89 -3.878 -10.912 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.172 -12.648 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.972 -11.745 1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.643 -11.381 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.118 -9.877 3.228 1.00 0.00 H new ATOM 46 N ILE A 90 -1.681 -9.362 0.074 1.00 0.00 N ATOM 47 CA ILE A 90 -1.273 -8.053 -0.511 1.00 0.00 C ATOM 48 C ILE A 90 -2.431 -7.417 -1.327 1.00 0.00 C ATOM 49 O ILE A 90 -2.769 -6.264 -1.025 1.00 0.00 O ATOM 50 CB ILE A 90 0.131 -8.317 -1.205 1.00 0.00 C ATOM 51 CG1 ILE A 90 1.318 -7.693 -0.442 1.00 0.00 C ATOM 52 CG2 ILE A 90 0.483 -7.873 -2.602 1.00 0.00 C ATOM 53 CD1 ILE A 90 1.485 -8.132 0.970 1.00 0.00 C ATOM 0 H ILE A 90 -1.085 -10.134 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.102 -7.252 0.208 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.017 -9.397 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.235 -7.923 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.203 -6.609 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.503 -8.178 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.204 -8.331 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.405 -6.788 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.348 -7.631 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.591 -7.877 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.638 -9.211 1.000 1.00 0.00 H new ATOM 65 N LEU A 91 -3.079 -8.142 -2.275 1.00 0.00 N ATOM 66 CA LEU A 91 -4.243 -7.571 -3.032 1.00 0.00 C ATOM 67 C LEU A 91 -5.412 -7.162 -2.073 1.00 0.00 C ATOM 68 O LEU A 91 -5.932 -6.063 -2.264 1.00 0.00 O ATOM 69 CB LEU A 91 -4.695 -8.453 -4.237 1.00 0.00 C ATOM 70 CG LEU A 91 -5.667 -9.659 -4.063 1.00 0.00 C ATOM 71 CD1 LEU A 91 -7.168 -9.299 -3.992 1.00 0.00 C ATOM 72 CD2 LEU A 91 -5.492 -10.659 -5.223 1.00 0.00 C ATOM 0 H LEU A 91 -2.831 -9.097 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.892 -6.649 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.155 -7.782 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.788 -8.845 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.390 -10.082 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.755 -10.209 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.344 -8.638 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.465 -8.795 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.177 -11.496 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.709 -10.161 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.466 -11.028 -5.234 1.00 0.00 H new ATOM 84 N ARG A 92 -5.793 -7.966 -1.036 1.00 0.00 N ATOM 85 CA ARG A 92 -6.856 -7.571 -0.063 1.00 0.00 C ATOM 86 C ARG A 92 -6.506 -6.233 0.649 1.00 0.00 C ATOM 87 O ARG A 92 -7.299 -5.287 0.548 1.00 0.00 O ATOM 88 CB ARG A 92 -7.173 -8.671 1.005 1.00 0.00 C ATOM 89 CG ARG A 92 -8.502 -9.446 0.851 1.00 0.00 C ATOM 90 CD ARG A 92 -8.541 -10.467 -0.309 1.00 0.00 C ATOM 91 NE ARG A 92 -9.090 -11.794 0.107 1.00 0.00 N ATOM 92 CZ ARG A 92 -8.403 -12.733 0.761 1.00 0.00 C ATOM 93 NH1 ARG A 92 -7.220 -12.547 1.283 1.00 0.00 N ATOM 94 NH2 ARG A 92 -8.908 -13.924 0.875 1.00 0.00 N ATOM 0 H ARG A 92 -5.384 -8.882 -0.854 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.757 -7.440 -0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.358 -9.394 0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.170 -8.198 1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.707 -9.972 1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.308 -8.727 0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.148 -10.066 -1.120 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.533 -10.603 -0.702 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.062 -11.997 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.765 -11.638 1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.752 -13.311 1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.819 -14.133 0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.393 -14.651 1.372 1.00 0.00 H new ATOM 108 N ALA A 93 -5.314 -6.139 1.293 1.00 0.00 N ATOM 109 CA ALA A 93 -4.908 -4.902 1.990 1.00 0.00 C ATOM 110 C ALA A 93 -4.817 -3.666 1.074 1.00 0.00 C ATOM 111 O ALA A 93 -5.582 -2.735 1.341 1.00 0.00 O ATOM 112 CB ALA A 93 -3.616 -5.158 2.791 1.00 0.00 C ATOM 0 H ALA A 93 -4.631 -6.895 1.341 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.704 -4.644 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.319 -4.243 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.792 -5.945 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.822 -5.467 2.111 1.00 0.00 H new ATOM 118 N PHE A 94 -4.003 -3.662 -0.009 1.00 0.00 N ATOM 119 CA PHE A 94 -3.938 -2.473 -0.916 1.00 0.00 C ATOM 120 C PHE A 94 -5.297 -2.086 -1.563 1.00 0.00 C ATOM 121 O PHE A 94 -5.612 -0.895 -1.608 1.00 0.00 O ATOM 122 CB PHE A 94 -2.915 -2.682 -2.058 1.00 0.00 C ATOM 123 CG PHE A 94 -2.522 -1.432 -2.873 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.431 -0.944 -3.817 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.361 -0.699 -2.606 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.251 0.307 -4.374 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.126 0.511 -3.256 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.113 1.034 -4.106 1.00 0.00 C ATOM 0 H PHE A 94 -3.398 -4.438 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.631 -1.659 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.008 -3.107 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.320 -3.424 -2.746 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.277 -1.547 -4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.642 -1.073 -1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.009 0.718 -5.025 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.196 1.040 -3.108 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.979 2.009 -4.551 1.00 0.00 H new ATOM 138 N LYS A 95 -6.053 -3.060 -2.113 1.00 0.00 N ATOM 139 CA LYS A 95 -7.362 -2.767 -2.759 1.00 0.00 C ATOM 140 C LYS A 95 -8.399 -2.204 -1.726 1.00 0.00 C ATOM 141 O LYS A 95 -9.184 -1.350 -2.148 1.00 0.00 O ATOM 142 CB LYS A 95 -7.808 -3.998 -3.599 1.00 0.00 C ATOM 143 CG LYS A 95 -6.826 -4.384 -4.753 1.00 0.00 C ATOM 144 CD LYS A 95 -7.244 -5.625 -5.560 1.00 0.00 C ATOM 145 CE LYS A 95 -6.299 -5.842 -6.760 1.00 0.00 C ATOM 146 NZ LYS A 95 -6.587 -7.150 -7.411 1.00 0.00 N ATOM 0 H LYS A 95 -5.789 -4.045 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.273 -1.951 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.922 -4.854 -2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.790 -3.794 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.735 -3.538 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.838 -4.559 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.230 -6.505 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.268 -5.506 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.423 -5.034 -7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.262 -5.815 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.945 -7.285 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.447 -7.918 -6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.571 -7.161 -7.747 1.00 0.00 H new ATOM 160 N VAL A 96 -8.430 -2.624 -0.419 1.00 0.00 N ATOM 161 CA VAL A 96 -9.271 -1.906 0.604 1.00 0.00 C ATOM 162 C VAL A 96 -8.702 -0.456 0.774 1.00 0.00 C ATOM 163 O VAL A 96 -9.473 0.505 0.844 1.00 0.00 O ATOM 164 CB VAL A 96 -9.298 -2.540 2.046 1.00 0.00 C ATOM 165 CG1 VAL A 96 -10.022 -1.718 3.151 1.00 0.00 C ATOM 166 CG2 VAL A 96 -9.967 -3.892 2.014 1.00 0.00 C ATOM 0 H VAL A 96 -7.907 -3.422 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.288 -1.958 0.216 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.242 -2.581 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.973 -2.258 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.536 -0.749 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.065 -1.571 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.978 -4.317 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.991 -3.783 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.417 -4.554 1.346 1.00 0.00 H new ATOM 176 N PHE A 97 -7.357 -0.341 0.854 1.00 0.00 N ATOM 177 CA PHE A 97 -6.644 0.911 1.043 1.00 0.00 C ATOM 178 C PHE A 97 -6.904 2.054 -0.006 1.00 0.00 C ATOM 179 O PHE A 97 -6.800 3.222 0.366 1.00 0.00 O ATOM 180 CB PHE A 97 -5.149 0.512 1.191 1.00 0.00 C ATOM 181 CG PHE A 97 -4.483 1.172 2.377 1.00 0.00 C ATOM 182 CD1 PHE A 97 -4.244 2.531 2.272 1.00 0.00 C ATOM 183 CD2 PHE A 97 -4.257 0.512 3.595 1.00 0.00 C ATOM 184 CE1 PHE A 97 -3.825 3.238 3.367 1.00 0.00 C ATOM 185 CE2 PHE A 97 -3.809 1.236 4.702 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.603 2.611 4.588 1.00 0.00 C ATOM 0 H PHE A 97 -6.735 -1.146 0.785 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.032 1.407 1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.075 -0.571 1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.613 0.783 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.388 3.034 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.429 -0.551 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.664 4.302 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.623 0.735 5.640 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.273 3.184 5.442 1.00 0.00 H new ATOM 196 N ASP A 98 -7.199 1.745 -1.294 1.00 0.00 N ATOM 197 CA ASP A 98 -7.569 2.743 -2.340 1.00 0.00 C ATOM 198 C ASP A 98 -9.050 3.141 -2.013 1.00 0.00 C ATOM 199 O ASP A 98 -9.933 2.270 -1.971 1.00 0.00 O ATOM 200 CB ASP A 98 -7.276 2.091 -3.737 1.00 0.00 C ATOM 201 CG ASP A 98 -7.719 2.747 -5.056 1.00 0.00 C ATOM 202 OD1 ASP A 98 -7.718 4.003 -5.132 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.053 2.019 -5.982 1.00 0.00 O ATOM 0 H ASP A 98 -7.188 0.787 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.999 3.672 -2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.196 1.958 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.719 1.095 -3.718 1.00 0.00 H new ATOM 208 N ALA A 99 -9.296 4.450 -1.723 1.00 0.00 N ATOM 209 CA ALA A 99 -10.660 5.014 -1.388 1.00 0.00 C ATOM 210 C ALA A 99 -11.628 4.560 -2.524 1.00 0.00 C ATOM 211 O ALA A 99 -12.444 3.642 -2.407 1.00 0.00 O ATOM 212 CB ALA A 99 -10.521 6.555 -1.140 1.00 0.00 C ATOM 0 H ALA A 99 -8.559 5.155 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.093 4.639 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.498 6.974 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.835 6.730 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.133 7.035 -2.039 1.00 0.00 H new ATOM 218 N ASN A 100 -11.353 5.220 -3.632 1.00 0.00 N ATOM 219 CA ASN A 100 -11.848 4.905 -4.974 1.00 0.00 C ATOM 220 C ASN A 100 -10.565 5.003 -5.886 1.00 0.00 C ATOM 221 O ASN A 100 -10.238 4.021 -6.551 1.00 0.00 O ATOM 222 CB ASN A 100 -13.040 5.720 -5.546 1.00 0.00 C ATOM 223 CG ASN A 100 -13.401 5.298 -7.011 1.00 0.00 C ATOM 224 OD1 ASN A 100 -12.645 5.640 -7.929 1.00 0.00 O ATOM 225 ND2 ASN A 100 -14.449 4.531 -7.316 1.00 0.00 N ATOM 0 H ASN A 100 -10.744 6.038 -3.628 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.318 3.922 -4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -13.911 5.583 -4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.794 6.782 -5.526 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -14.607 4.244 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -15.092 4.231 -6.583 1.00 0.00 H new ATOM 232 N GLY A 101 -9.868 6.164 -5.853 1.00 0.00 N ATOM 233 CA GLY A 101 -8.703 6.577 -6.632 1.00 0.00 C ATOM 234 C GLY A 101 -8.388 6.136 -8.050 1.00 0.00 C ATOM 235 O GLY A 101 -7.282 6.487 -8.437 1.00 0.00 O ATOM 0 H GLY A 101 -10.147 6.903 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.736 7.666 -6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -7.834 6.300 -6.035 1.00 0.00 H new ATOM 239 N ASP A 102 -9.273 5.450 -8.804 1.00 0.00 N ATOM 240 CA ASP A 102 -8.942 4.831 -10.139 1.00 0.00 C ATOM 241 C ASP A 102 -7.848 3.681 -10.038 1.00 0.00 C ATOM 242 O ASP A 102 -7.386 3.177 -11.070 1.00 0.00 O ATOM 243 CB ASP A 102 -8.574 5.893 -11.232 1.00 0.00 C ATOM 244 CG ASP A 102 -7.146 6.482 -11.316 1.00 0.00 C ATOM 245 OD1 ASP A 102 -6.192 5.952 -10.685 1.00 0.00 O ATOM 246 OD2 ASP A 102 -6.985 7.493 -12.033 1.00 0.00 O ATOM 0 H ASP A 102 -10.241 5.300 -8.519 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.864 4.353 -10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.793 5.444 -12.201 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.259 6.731 -11.107 1.00 0.00 H new ATOM 251 N GLY A 103 -7.537 3.196 -8.814 1.00 0.00 N ATOM 252 CA GLY A 103 -6.421 2.295 -8.544 1.00 0.00 C ATOM 253 C GLY A 103 -5.328 3.060 -7.717 1.00 0.00 C ATOM 254 O GLY A 103 -4.493 2.353 -7.148 1.00 0.00 O ATOM 0 H GLY A 103 -8.072 3.432 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.768 1.422 -7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.997 1.931 -9.480 1.00 0.00 H new ATOM 258 N VAL A 104 -5.308 4.438 -7.611 1.00 0.00 N ATOM 259 CA VAL A 104 -4.253 5.164 -6.827 1.00 0.00 C ATOM 260 C VAL A 104 -4.653 5.630 -5.384 1.00 0.00 C ATOM 261 O VAL A 104 -5.721 6.187 -5.139 1.00 0.00 O ATOM 262 CB VAL A 104 -3.604 6.357 -7.622 1.00 0.00 C ATOM 263 CG1 VAL A 104 -4.217 7.774 -7.505 1.00 0.00 C ATOM 264 CG2 VAL A 104 -2.087 6.399 -7.450 1.00 0.00 C ATOM 0 H VAL A 104 -5.996 5.049 -8.050 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.508 4.382 -6.680 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.876 6.085 -8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.644 8.470 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.251 7.753 -7.850 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.188 8.098 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.680 7.237 -8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.844 6.521 -6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.653 5.469 -7.817 1.00 0.00 H new ATOM 274 N ILE A 105 -3.699 5.458 -4.459 1.00 0.00 N ATOM 275 CA ILE A 105 -3.813 5.854 -3.024 1.00 0.00 C ATOM 276 C ILE A 105 -2.952 7.126 -2.757 1.00 0.00 C ATOM 277 O ILE A 105 -1.757 7.123 -3.052 1.00 0.00 O ATOM 278 CB ILE A 105 -3.298 4.814 -1.959 1.00 0.00 C ATOM 279 CG1 ILE A 105 -3.752 3.349 -2.110 1.00 0.00 C ATOM 280 CG2 ILE A 105 -3.719 5.250 -0.515 1.00 0.00 C ATOM 281 CD1 ILE A 105 -2.877 2.409 -1.262 1.00 0.00 C ATOM 0 H ILE A 105 -2.800 5.030 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.888 5.977 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.223 4.828 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.794 3.255 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.698 3.054 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.354 4.519 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.291 6.227 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.806 5.308 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.219 1.382 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.839 2.488 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.952 2.691 -0.212 1.00 0.00 H new ATOM 293 N ASP A 106 -3.525 8.133 -2.076 1.00 0.00 N ATOM 294 CA ASP A 106 -2.809 9.375 -1.678 1.00 0.00 C ATOM 295 C ASP A 106 -2.513 9.429 -0.123 1.00 0.00 C ATOM 296 O ASP A 106 -2.770 8.480 0.626 1.00 0.00 O ATOM 297 CB ASP A 106 -3.607 10.585 -2.256 1.00 0.00 C ATOM 298 CG ASP A 106 -4.744 11.132 -1.379 1.00 0.00 C ATOM 299 OD1 ASP A 106 -5.839 10.533 -1.355 1.00 0.00 O ATOM 300 OD2 ASP A 106 -4.511 12.132 -0.668 1.00 0.00 O ATOM 0 H ASP A 106 -4.501 8.116 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 106 -1.807 9.406 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.905 11.396 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.028 10.290 -3.217 1.00 0.00 H new ATOM 305 N PHE A 107 -1.961 10.561 0.364 1.00 0.00 N ATOM 306 CA PHE A 107 -1.642 10.753 1.812 1.00 0.00 C ATOM 307 C PHE A 107 -2.899 10.957 2.719 1.00 0.00 C ATOM 308 O PHE A 107 -2.987 10.317 3.774 1.00 0.00 O ATOM 309 CB PHE A 107 -0.581 11.873 2.008 1.00 0.00 C ATOM 310 CG PHE A 107 0.200 11.846 3.351 1.00 0.00 C ATOM 311 CD1 PHE A 107 0.777 10.667 3.850 1.00 0.00 C ATOM 312 CD2 PHE A 107 0.321 13.024 4.096 1.00 0.00 C ATOM 313 CE1 PHE A 107 1.411 10.661 5.090 1.00 0.00 C ATOM 314 CE2 PHE A 107 0.966 13.018 5.331 1.00 0.00 C ATOM 315 CZ PHE A 107 1.503 11.835 5.829 1.00 0.00 C ATOM 0 H PHE A 107 -1.723 11.363 -0.219 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.206 9.814 2.153 1.00 0.00 H new ATOM 0 HB2 PHE A 107 0.138 11.811 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.080 12.838 1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.729 9.758 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.089 13.946 3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.831 9.745 5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.049 13.931 5.902 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.992 11.829 6.792 1.00 0.00 H new ATOM 325 N ASP A 108 -3.855 11.830 2.315 1.00 0.00 N ATOM 326 CA ASP A 108 -5.130 12.069 3.077 1.00 0.00 C ATOM 327 C ASP A 108 -5.961 10.754 3.282 1.00 0.00 C ATOM 328 O ASP A 108 -6.321 10.468 4.434 1.00 0.00 O ATOM 329 CB ASP A 108 -5.953 13.247 2.479 1.00 0.00 C ATOM 330 CG ASP A 108 -5.307 14.642 2.558 1.00 0.00 C ATOM 331 OD1 ASP A 108 -4.582 14.927 3.542 1.00 0.00 O ATOM 332 OD2 ASP A 108 -5.544 15.468 1.656 1.00 0.00 O ATOM 0 H ASP A 108 -3.777 12.387 1.464 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.851 12.386 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.158 13.024 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.915 13.286 2.990 1.00 0.00 H new ATOM 337 N GLU A 109 -6.212 9.934 2.230 1.00 0.00 N ATOM 338 CA GLU A 109 -6.883 8.606 2.388 1.00 0.00 C ATOM 339 C GLU A 109 -6.165 7.678 3.429 1.00 0.00 C ATOM 340 O GLU A 109 -6.840 7.035 4.235 1.00 0.00 O ATOM 341 CB GLU A 109 -6.962 7.920 0.995 1.00 0.00 C ATOM 342 CG GLU A 109 -7.270 6.391 0.989 1.00 0.00 C ATOM 343 CD GLU A 109 -8.576 5.879 1.588 1.00 0.00 C ATOM 344 OE1 GLU A 109 -9.363 6.655 2.167 1.00 0.00 O ATOM 345 OE2 GLU A 109 -8.844 4.679 1.410 1.00 0.00 O ATOM 0 H GLU A 109 -5.964 10.162 1.267 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.884 8.776 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -7.730 8.425 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.013 8.079 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.234 6.056 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -6.454 5.893 1.513 1.00 0.00 H new ATOM 352 N PHE A 110 -4.815 7.602 3.399 1.00 0.00 N ATOM 353 CA PHE A 110 -4.010 6.774 4.350 1.00 0.00 C ATOM 354 C PHE A 110 -4.275 7.316 5.791 1.00 0.00 C ATOM 355 O PHE A 110 -4.727 6.523 6.609 1.00 0.00 O ATOM 356 CB PHE A 110 -2.476 6.858 3.986 1.00 0.00 C ATOM 357 CG PHE A 110 -1.646 5.703 3.383 1.00 0.00 C ATOM 358 CD1 PHE A 110 -1.067 4.744 4.219 1.00 0.00 C ATOM 359 CD2 PHE A 110 -1.347 5.661 2.016 1.00 0.00 C ATOM 360 CE1 PHE A 110 -0.226 3.759 3.711 1.00 0.00 C ATOM 361 CE2 PHE A 110 -0.529 4.658 1.498 1.00 0.00 C ATOM 362 CZ PHE A 110 0.047 3.723 2.351 1.00 0.00 C ATOM 0 H PHE A 110 -4.246 8.108 2.720 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.300 5.725 4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.378 7.692 3.291 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.965 7.147 4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.276 4.768 5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.754 6.413 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.212 3.026 4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.343 4.607 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.708 2.967 1.954 1.00 0.00 H new ATOM 372 N LYS A 111 -4.073 8.626 6.098 1.00 0.00 N ATOM 373 CA LYS A 111 -4.388 9.222 7.441 1.00 0.00 C ATOM 374 C LYS A 111 -5.872 9.023 7.934 1.00 0.00 C ATOM 375 O LYS A 111 -6.123 9.034 9.140 1.00 0.00 O ATOM 376 CB LYS A 111 -4.108 10.752 7.425 1.00 0.00 C ATOM 377 CG LYS A 111 -2.667 11.221 7.128 1.00 0.00 C ATOM 378 CD LYS A 111 -2.445 12.742 7.318 1.00 0.00 C ATOM 379 CE LYS A 111 -3.289 13.710 6.456 1.00 0.00 C ATOM 380 NZ LYS A 111 -2.814 13.811 5.054 1.00 0.00 N ATOM 0 H LYS A 111 -3.691 9.299 5.434 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.742 8.682 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.766 11.204 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.397 11.155 8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.979 10.680 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -2.413 10.953 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.631 12.979 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.393 12.953 7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.327 13.377 6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.271 14.700 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -3.616 14.035 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.100 14.564 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.392 12.905 4.764 1.00 0.00 H new ATOM 394 N PHE A 112 -6.844 8.922 7.010 1.00 0.00 N ATOM 395 CA PHE A 112 -8.274 8.641 7.317 1.00 0.00 C ATOM 396 C PHE A 112 -8.476 7.126 7.695 1.00 0.00 C ATOM 397 O PHE A 112 -9.039 6.816 8.748 1.00 0.00 O ATOM 398 CB PHE A 112 -9.098 9.119 6.075 1.00 0.00 C ATOM 399 CG PHE A 112 -10.555 8.634 5.957 1.00 0.00 C ATOM 400 CD1 PHE A 112 -11.550 9.159 6.786 1.00 0.00 C ATOM 401 CD2 PHE A 112 -10.884 7.630 5.036 1.00 0.00 C ATOM 402 CE1 PHE A 112 -12.859 8.688 6.695 1.00 0.00 C ATOM 403 CE2 PHE A 112 -12.193 7.162 4.948 1.00 0.00 C ATOM 404 CZ PHE A 112 -13.180 7.692 5.776 1.00 0.00 C ATOM 0 H PHE A 112 -6.664 9.034 6.012 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.627 9.182 8.195 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -9.106 10.209 6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.565 8.805 5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -11.304 9.932 7.499 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -10.120 7.218 4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -13.625 9.096 7.338 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -12.443 6.388 4.238 1.00 0.00 H new ATOM 0 HZ PHE A 112 -14.195 7.330 5.705 1.00 0.00 H new ATOM 414 N ILE A 113 -8.016 6.212 6.821 1.00 0.00 N ATOM 415 CA ILE A 113 -8.124 4.728 6.971 1.00 0.00 C ATOM 416 C ILE A 113 -7.116 3.998 7.921 1.00 0.00 C ATOM 417 O ILE A 113 -7.330 2.832 8.250 1.00 0.00 O ATOM 418 CB ILE A 113 -8.074 4.162 5.501 1.00 0.00 C ATOM 419 CG1 ILE A 113 -9.163 3.080 5.286 1.00 0.00 C ATOM 420 CG2 ILE A 113 -6.702 3.689 5.001 1.00 0.00 C ATOM 421 CD1 ILE A 113 -9.462 2.733 3.823 1.00 0.00 C ATOM 0 H ILE A 113 -7.542 6.483 5.959 1.00 0.00 H new ATOM 0 HA ILE A 113 -9.054 4.520 7.501 1.00 0.00 H new ATOM 0 HB ILE A 113 -8.288 5.028 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.855 2.171 5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.086 3.418 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.794 3.322 3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.999 4.522 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.337 2.887 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.237 1.967 3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.806 3.626 3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -8.556 2.359 3.345 1.00 0.00 H new ATOM 433 N MET A 114 -6.017 4.677 8.274 1.00 0.00 N ATOM 434 CA MET A 114 -4.896 4.211 9.156 1.00 0.00 C ATOM 435 C MET A 114 -5.248 3.303 10.368 1.00 0.00 C ATOM 436 O MET A 114 -4.502 2.376 10.696 1.00 0.00 O ATOM 437 CB MET A 114 -4.089 5.489 9.547 1.00 0.00 C ATOM 438 CG MET A 114 -4.776 6.554 10.419 1.00 0.00 C ATOM 439 SD MET A 114 -3.761 8.042 10.564 1.00 0.00 S ATOM 440 CE MET A 114 -2.833 7.743 12.072 1.00 0.00 C ATOM 0 H MET A 114 -5.860 5.628 7.940 1.00 0.00 H new ATOM 0 HA MET A 114 -4.302 3.501 8.580 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.188 5.165 10.068 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.768 5.973 8.625 1.00 0.00 H new ATOM 0 HG2 MET A 114 -5.743 6.812 9.987 1.00 0.00 H new ATOM 0 HG3 MET A 114 -4.969 6.145 11.411 1.00 0.00 H new ATOM 0 HE1 MET A 114 -2.367 8.671 12.403 1.00 0.00 H new ATOM 0 HE2 MET A 114 -3.507 7.379 12.848 1.00 0.00 H new ATOM 0 HE3 MET A 114 -2.061 6.997 11.882 1.00 0.00 H new ATOM 575 N THR A 123 -1.198 8.560 15.293 1.00 0.00 N ATOM 576 CA THR A 123 0.077 9.187 14.864 1.00 0.00 C ATOM 577 C THR A 123 0.298 8.989 13.346 1.00 0.00 C ATOM 578 O THR A 123 0.308 7.874 12.815 1.00 0.00 O ATOM 579 CB THR A 123 1.315 8.666 15.636 1.00 0.00 C ATOM 580 OG1 THR A 123 1.411 7.250 15.571 1.00 0.00 O ATOM 581 CG2 THR A 123 1.379 9.071 17.115 1.00 0.00 C ATOM 0 HA THR A 123 -0.022 10.247 15.096 1.00 0.00 H new ATOM 0 HB THR A 123 2.151 9.146 15.128 1.00 0.00 H new ATOM 0 HG1 THR A 123 0.512 6.864 15.512 1.00 0.00 H new ATOM 0 HG21 THR A 123 2.281 8.658 17.567 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.398 10.158 17.194 1.00 0.00 H new ATOM 0 HG23 THR A 123 0.503 8.685 17.636 1.00 0.00 H new ATOM 589 N ASP A 124 0.520 10.131 12.692 1.00 0.00 N ATOM 590 CA ASP A 124 0.801 10.218 11.235 1.00 0.00 C ATOM 591 C ASP A 124 2.209 9.692 10.812 1.00 0.00 C ATOM 592 O ASP A 124 2.347 9.179 9.697 1.00 0.00 O ATOM 593 CB ASP A 124 0.547 11.671 10.759 1.00 0.00 C ATOM 594 CG ASP A 124 -0.920 12.111 10.658 1.00 0.00 C ATOM 595 OD1 ASP A 124 -1.793 11.286 10.309 1.00 0.00 O ATOM 596 OD2 ASP A 124 -1.193 13.310 10.870 1.00 0.00 O ATOM 0 H ASP A 124 0.512 11.040 13.155 1.00 0.00 H new ATOM 0 HA ASP A 124 0.113 9.539 10.731 1.00 0.00 H new ATOM 0 HB2 ASP A 124 1.060 12.348 11.441 1.00 0.00 H new ATOM 0 HB3 ASP A 124 1.009 11.795 9.779 1.00 0.00 H new ATOM 601 N ALA A 125 3.227 9.821 11.691 1.00 0.00 N ATOM 602 CA ALA A 125 4.599 9.313 11.466 1.00 0.00 C ATOM 603 C ALA A 125 4.665 7.788 11.167 1.00 0.00 C ATOM 604 O ALA A 125 5.427 7.410 10.270 1.00 0.00 O ATOM 605 CB ALA A 125 5.441 9.686 12.695 1.00 0.00 C ATOM 0 H ALA A 125 3.117 10.288 12.591 1.00 0.00 H new ATOM 0 HA ALA A 125 4.997 9.780 10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 125 6.461 9.325 12.561 1.00 0.00 H new ATOM 0 HB2 ALA A 125 5.452 10.770 12.813 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.008 9.229 13.585 1.00 0.00 H new ATOM 611 N GLU A 126 3.874 6.921 11.865 1.00 0.00 N ATOM 612 CA GLU A 126 3.846 5.451 11.566 1.00 0.00 C ATOM 613 C GLU A 126 3.432 5.143 10.068 1.00 0.00 C ATOM 614 O GLU A 126 4.105 4.417 9.315 1.00 0.00 O ATOM 615 CB GLU A 126 2.852 4.810 12.581 1.00 0.00 C ATOM 616 CG GLU A 126 3.085 5.062 14.094 1.00 0.00 C ATOM 617 CD GLU A 126 3.854 3.990 14.846 1.00 0.00 C ATOM 618 OE1 GLU A 126 3.219 3.043 15.352 1.00 0.00 O ATOM 619 OE2 GLU A 126 5.093 4.104 14.949 1.00 0.00 O ATOM 0 H GLU A 126 3.257 7.205 12.626 1.00 0.00 H new ATOM 0 HA GLU A 126 4.844 5.027 11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.851 5.164 12.335 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.859 3.732 12.418 1.00 0.00 H new ATOM 0 HG2 GLU A 126 3.618 6.006 14.205 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.114 5.186 14.573 1.00 0.00 H new ATOM 626 N VAL A 127 2.323 5.807 9.676 1.00 0.00 N ATOM 627 CA VAL A 127 1.691 5.769 8.335 1.00 0.00 C ATOM 628 C VAL A 127 2.651 6.344 7.243 1.00 0.00 C ATOM 629 O VAL A 127 2.858 5.690 6.216 1.00 0.00 O ATOM 630 CB VAL A 127 0.311 6.529 8.417 1.00 0.00 C ATOM 631 CG1 VAL A 127 -0.575 6.240 7.204 1.00 0.00 C ATOM 632 CG2 VAL A 127 -0.586 6.245 9.647 1.00 0.00 C ATOM 0 H VAL A 127 1.816 6.416 10.318 1.00 0.00 H new ATOM 0 HA VAL A 127 1.497 4.740 8.032 1.00 0.00 H new ATOM 0 HB VAL A 127 0.654 7.562 8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -1.515 6.783 7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.064 6.560 6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -0.778 5.171 7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -1.501 6.833 9.574 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -0.838 5.185 9.677 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -0.052 6.517 10.557 1.00 0.00 H new ATOM 642 N GLU A 128 3.236 7.543 7.478 1.00 0.00 N ATOM 643 CA GLU A 128 4.233 8.184 6.570 1.00 0.00 C ATOM 644 C GLU A 128 5.502 7.292 6.343 1.00 0.00 C ATOM 645 O GLU A 128 5.938 7.148 5.197 1.00 0.00 O ATOM 646 CB GLU A 128 4.501 9.598 7.167 1.00 0.00 C ATOM 647 CG GLU A 128 5.180 10.656 6.260 1.00 0.00 C ATOM 648 CD GLU A 128 6.698 10.666 6.179 1.00 0.00 C ATOM 649 OE1 GLU A 128 7.392 10.490 7.207 1.00 0.00 O ATOM 650 OE2 GLU A 128 7.216 10.881 5.065 1.00 0.00 O ATOM 0 H GLU A 128 3.032 8.101 8.307 1.00 0.00 H new ATOM 0 HA GLU A 128 3.856 8.293 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.546 10.006 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.120 9.473 8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.794 10.525 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.858 11.641 6.599 1.00 0.00 H new ATOM 657 N GLU A 129 6.065 6.651 7.396 1.00 0.00 N ATOM 658 CA GLU A 129 7.219 5.717 7.259 1.00 0.00 C ATOM 659 C GLU A 129 6.842 4.439 6.416 1.00 0.00 C ATOM 660 O GLU A 129 7.569 4.096 5.463 1.00 0.00 O ATOM 661 CB GLU A 129 7.801 5.429 8.669 1.00 0.00 C ATOM 662 CG GLU A 129 9.302 5.026 8.688 1.00 0.00 C ATOM 663 CD GLU A 129 10.311 6.099 8.270 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.098 7.301 8.543 1.00 0.00 O ATOM 665 OE2 GLU A 129 11.320 5.738 7.637 1.00 0.00 O ATOM 0 H GLU A 129 5.739 6.762 8.356 1.00 0.00 H new ATOM 0 HA GLU A 129 8.017 6.179 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.670 6.317 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.220 4.630 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.553 4.699 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.431 4.165 8.032 1.00 0.00 H new ATOM 672 N ALA A 130 5.690 3.769 6.718 1.00 0.00 N ATOM 673 CA ALA A 130 5.233 2.601 5.905 1.00 0.00 C ATOM 674 C ALA A 130 4.988 2.949 4.399 1.00 0.00 C ATOM 675 O ALA A 130 5.440 2.204 3.518 1.00 0.00 O ATOM 676 CB ALA A 130 3.994 1.965 6.560 1.00 0.00 C ATOM 0 H ALA A 130 5.076 4.009 7.496 1.00 0.00 H new ATOM 0 HA ALA A 130 6.043 1.872 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.664 1.114 5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.246 1.628 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.193 2.702 6.615 1.00 0.00 H new ATOM 682 N MET A 131 4.317 4.090 4.108 1.00 0.00 N ATOM 683 CA MET A 131 4.095 4.564 2.717 1.00 0.00 C ATOM 684 C MET A 131 5.411 4.992 2.022 1.00 0.00 C ATOM 685 O MET A 131 5.527 4.711 0.828 1.00 0.00 O ATOM 686 CB MET A 131 3.039 5.692 2.755 1.00 0.00 C ATOM 687 CG MET A 131 2.627 6.212 1.378 1.00 0.00 C ATOM 688 SD MET A 131 1.427 7.531 1.575 1.00 0.00 S ATOM 689 CE MET A 131 0.983 7.653 -0.156 1.00 0.00 C ATOM 0 H MET A 131 3.918 4.702 4.820 1.00 0.00 H new ATOM 0 HA MET A 131 3.718 3.744 2.106 1.00 0.00 H new ATOM 0 HB2 MET A 131 2.152 5.327 3.273 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.432 6.522 3.342 1.00 0.00 H new ATOM 0 HG2 MET A 131 3.501 6.578 0.839 1.00 0.00 H new ATOM 0 HG3 MET A 131 2.201 5.403 0.784 1.00 0.00 H new ATOM 0 HE1 MET A 131 0.269 8.466 -0.292 1.00 0.00 H new ATOM 0 HE2 MET A 131 1.877 7.852 -0.748 1.00 0.00 H new ATOM 0 HE3 MET A 131 0.533 6.716 -0.483 1.00 0.00 H new ATOM 699 N LYS A 132 6.374 5.666 2.694 1.00 0.00 N ATOM 700 CA LYS A 132 7.685 5.983 2.055 1.00 0.00 C ATOM 701 C LYS A 132 8.454 4.678 1.672 1.00 0.00 C ATOM 702 O LYS A 132 9.050 4.647 0.592 1.00 0.00 O ATOM 703 CB LYS A 132 8.468 7.000 2.906 1.00 0.00 C ATOM 704 CG LYS A 132 9.480 6.504 3.976 1.00 0.00 C ATOM 705 CD LYS A 132 10.199 7.595 4.802 1.00 0.00 C ATOM 706 CE LYS A 132 9.237 8.618 5.428 1.00 0.00 C ATOM 707 NZ LYS A 132 9.664 9.147 6.743 1.00 0.00 N ATOM 0 H LYS A 132 6.278 5.996 3.654 1.00 0.00 H new ATOM 0 HA LYS A 132 7.526 6.485 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 132 9.014 7.645 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 132 7.737 7.626 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 132 8.952 5.846 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 132 10.237 5.900 3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 132 10.777 7.119 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 132 10.908 8.119 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.117 9.453 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 132 8.257 8.154 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.832 9.484 7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.134 8.393 7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 10.327 9.936 6.601 1.00 0.00 H new ATOM 721 N GLU A 133 8.431 3.611 2.519 1.00 0.00 N ATOM 722 CA GLU A 133 9.017 2.299 2.129 1.00 0.00 C ATOM 723 C GLU A 133 8.259 1.684 0.887 1.00 0.00 C ATOM 724 O GLU A 133 8.922 1.250 -0.059 1.00 0.00 O ATOM 725 CB GLU A 133 9.045 1.367 3.374 1.00 0.00 C ATOM 726 CG GLU A 133 9.908 0.075 3.266 1.00 0.00 C ATOM 727 CD GLU A 133 9.309 -1.134 2.555 1.00 0.00 C ATOM 728 OE1 GLU A 133 8.330 -1.724 3.058 1.00 0.00 O ATOM 729 OE2 GLU A 133 9.848 -1.561 1.510 1.00 0.00 O ATOM 0 H GLU A 133 8.023 3.632 3.454 1.00 0.00 H new ATOM 0 HA GLU A 133 10.047 2.428 1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.406 1.946 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.020 1.073 3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.835 0.336 2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.176 -0.232 4.277 1.00 0.00 H new ATOM 736 N ALA A 134 6.902 1.736 0.863 1.00 0.00 N ATOM 737 CA ALA A 134 6.071 1.180 -0.236 1.00 0.00 C ATOM 738 C ALA A 134 5.736 1.975 -1.520 1.00 0.00 C ATOM 739 O ALA A 134 5.166 1.347 -2.421 1.00 0.00 O ATOM 740 CB ALA A 134 4.802 0.654 0.392 1.00 0.00 C ATOM 0 H ALA A 134 6.353 2.166 1.607 1.00 0.00 H new ATOM 0 HA ALA A 134 6.746 0.447 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 134 4.160 0.235 -0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 134 5.049 -0.121 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.280 1.468 0.895 1.00 0.00 H new ATOM 746 N ASP A 135 6.049 3.289 -1.648 1.00 0.00 N ATOM 747 CA ASP A 135 5.789 4.071 -2.908 1.00 0.00 C ATOM 748 C ASP A 135 6.891 3.732 -3.970 1.00 0.00 C ATOM 749 O ASP A 135 6.255 2.812 -4.540 1.00 0.00 O ATOM 750 CB ASP A 135 5.808 5.618 -2.678 1.00 0.00 C ATOM 751 CG ASP A 135 5.684 6.538 -3.936 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.168 6.147 -4.984 1.00 0.00 O ATOM 753 OD2 ASP A 135 6.081 7.730 -3.787 1.00 0.00 O ATOM 0 H ASP A 135 6.480 3.837 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 135 4.794 3.787 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.993 5.867 -1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 135 6.737 5.870 -2.167 1.00 0.00 H new ATOM 758 N GLU A 136 7.374 3.277 -5.041 1.00 0.00 N ATOM 759 CA GLU A 136 8.843 3.358 -5.368 1.00 0.00 C ATOM 760 C GLU A 136 9.353 4.748 -5.951 1.00 0.00 C ATOM 761 O GLU A 136 10.373 4.823 -6.638 1.00 0.00 O ATOM 762 CB GLU A 136 9.127 2.118 -6.264 1.00 0.00 C ATOM 763 CG GLU A 136 8.757 0.743 -5.620 1.00 0.00 C ATOM 764 CD GLU A 136 9.349 -0.492 -6.276 1.00 0.00 C ATOM 765 OE1 GLU A 136 10.559 -0.742 -6.095 1.00 0.00 O ATOM 766 OE2 GLU A 136 8.607 -1.246 -6.946 1.00 0.00 O ATOM 0 HA GLU A 136 9.437 3.329 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.573 2.227 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.186 2.109 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.071 0.759 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.671 0.645 -5.625 1.00 0.00 H new ATOM 773 N ASP A 137 8.630 5.827 -5.591 1.00 0.00 N ATOM 774 CA ASP A 137 8.786 7.259 -5.991 1.00 0.00 C ATOM 775 C ASP A 137 7.840 7.352 -7.233 1.00 0.00 C ATOM 776 O ASP A 137 6.625 7.231 -7.038 1.00 0.00 O ATOM 777 CB ASP A 137 10.229 7.835 -6.017 1.00 0.00 C ATOM 778 CG ASP A 137 10.371 9.252 -6.624 1.00 0.00 C ATOM 779 OD1 ASP A 137 9.369 9.827 -7.133 1.00 0.00 O ATOM 780 OD2 ASP A 137 11.497 9.790 -6.589 1.00 0.00 O ATOM 0 H ASP A 137 7.843 5.718 -4.951 1.00 0.00 H new ATOM 0 HA ASP A 137 8.483 7.988 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 137 10.611 7.856 -4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 137 10.864 7.152 -6.581 1.00 0.00 H new ATOM 785 N GLY A 138 8.333 7.367 -8.482 1.00 0.00 N ATOM 786 CA GLY A 138 7.530 7.574 -9.723 1.00 0.00 C ATOM 787 C GLY A 138 6.343 8.581 -9.739 1.00 0.00 C ATOM 788 O GLY A 138 5.655 8.630 -10.759 1.00 0.00 O ATOM 0 H GLY A 138 9.326 7.233 -8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 138 8.223 7.881 -10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 138 7.131 6.602 -10.013 1.00 0.00 H new ATOM 792 N ASN A 139 6.167 9.371 -8.648 1.00 0.00 N ATOM 793 CA ASN A 139 5.031 10.309 -8.394 1.00 0.00 C ATOM 794 C ASN A 139 4.800 10.651 -6.877 1.00 0.00 C ATOM 795 O ASN A 139 4.671 11.850 -6.608 1.00 0.00 O ATOM 796 CB ASN A 139 3.674 9.805 -8.985 1.00 0.00 C ATOM 797 CG ASN A 139 2.299 10.413 -8.623 1.00 0.00 C ATOM 798 OD1 ASN A 139 1.384 9.676 -8.259 1.00 0.00 O ATOM 799 ND2 ASN A 139 2.105 11.721 -8.704 1.00 0.00 N ATOM 0 H ASN A 139 6.842 9.375 -7.883 1.00 0.00 H new ATOM 0 HA ASN A 139 5.347 11.216 -8.910 1.00 0.00 H new ATOM 0 HB2 ASN A 139 3.766 9.881 -10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 139 3.612 8.744 -8.744 1.00 0.00 H new ATOM 0 HD21 ASN A 139 1.196 12.118 -8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 139 2.864 12.331 -9.006 1.00 0.00 H new ATOM 806 N GLY A 140 4.721 9.701 -5.899 1.00 0.00 N ATOM 807 CA GLY A 140 4.368 10.043 -4.492 1.00 0.00 C ATOM 808 C GLY A 140 2.986 9.478 -4.035 1.00 0.00 C ATOM 809 O GLY A 140 2.803 9.313 -2.826 1.00 0.00 O ATOM 0 H GLY A 140 4.894 8.708 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 140 5.144 9.660 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 140 4.361 11.127 -4.382 1.00 0.00 H new ATOM 813 N VAL A 141 2.033 9.181 -4.955 1.00 0.00 N ATOM 814 CA VAL A 141 0.707 8.567 -4.622 1.00 0.00 C ATOM 815 C VAL A 141 0.799 7.194 -5.343 1.00 0.00 C ATOM 816 O VAL A 141 1.108 7.077 -6.538 1.00 0.00 O ATOM 817 CB VAL A 141 -0.540 9.481 -4.889 1.00 0.00 C ATOM 818 CG1 VAL A 141 -0.410 10.814 -4.129 1.00 0.00 C ATOM 819 CG2 VAL A 141 -1.061 9.772 -6.300 1.00 0.00 C ATOM 0 H VAL A 141 2.156 9.358 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 141 0.521 8.432 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 141 -1.311 8.804 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -1.285 11.433 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -0.340 10.618 -3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 141 0.487 11.336 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -1.930 10.427 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -0.280 10.260 -6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -1.344 8.837 -6.783 1.00 0.00 H new ATOM 829 N ILE A 142 0.529 6.149 -4.546 1.00 0.00 N ATOM 830 CA ILE A 142 0.717 4.753 -4.969 1.00 0.00 C ATOM 831 C ILE A 142 -0.367 4.103 -5.863 1.00 0.00 C ATOM 832 O ILE A 142 -1.523 4.039 -5.474 1.00 0.00 O ATOM 833 CB ILE A 142 0.935 3.759 -3.760 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.663 4.225 -2.451 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.688 2.549 -4.335 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.925 3.113 -1.418 1.00 0.00 C ATOM 0 H ILE A 142 0.176 6.247 -3.594 1.00 0.00 H new ATOM 0 HA ILE A 142 1.608 4.882 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.073 3.588 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.616 4.677 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 142 1.065 5.004 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.869 1.823 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.089 2.087 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.641 2.877 -4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.432 3.535 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.977 2.674 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.552 2.342 -1.865 1.00 0.00 H new ATOM 848 N ASP A 143 0.054 3.540 -7.004 1.00 0.00 N ATOM 849 CA ASP A 143 -0.803 2.725 -7.888 1.00 0.00 C ATOM 850 C ASP A 143 -0.570 1.245 -7.449 1.00 0.00 C ATOM 851 O ASP A 143 0.519 0.855 -7.000 1.00 0.00 O ATOM 852 CB ASP A 143 -0.544 2.994 -9.383 1.00 0.00 C ATOM 853 CG ASP A 143 0.849 2.770 -9.988 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.504 1.756 -9.665 1.00 0.00 O ATOM 855 OD2 ASP A 143 1.274 3.605 -10.813 1.00 0.00 O ATOM 0 H ASP A 143 1.010 3.637 -7.347 1.00 0.00 H new ATOM 0 HA ASP A 143 -1.856 2.985 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.242 2.375 -9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.814 4.033 -9.574 1.00 0.00 H new ATOM 860 N ILE A 144 -1.592 0.394 -7.604 1.00 0.00 N ATOM 861 CA ILE A 144 -1.511 -1.037 -7.175 1.00 0.00 C ATOM 862 C ILE A 144 -0.228 -1.796 -7.679 1.00 0.00 C ATOM 863 O ILE A 144 0.375 -2.438 -6.811 1.00 0.00 O ATOM 864 CB ILE A 144 -2.789 -1.896 -7.525 1.00 0.00 C ATOM 865 CG1 ILE A 144 -4.154 -1.127 -7.515 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.771 -3.252 -6.741 1.00 0.00 C ATOM 867 CD1 ILE A 144 -5.419 -1.869 -7.091 1.00 0.00 C ATOM 0 H ILE A 144 -2.486 0.655 -8.019 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.448 -0.946 -6.091 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.716 -2.142 -8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.042 -0.266 -6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -4.321 -0.740 -8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.659 -3.831 -6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.880 -3.818 -7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.762 -3.053 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -6.272 -1.192 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -5.587 -2.714 -7.759 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -5.303 -2.232 -6.070 1.00 0.00 H new ATOM 879 N PRO A 145 0.253 -1.758 -8.962 1.00 0.00 N ATOM 880 CA PRO A 145 1.491 -2.453 -9.376 1.00 0.00 C ATOM 881 C PRO A 145 2.787 -2.073 -8.607 1.00 0.00 C ATOM 882 O PRO A 145 3.635 -2.947 -8.522 1.00 0.00 O ATOM 883 CB PRO A 145 1.572 -2.195 -10.894 1.00 0.00 C ATOM 884 CG PRO A 145 0.130 -1.892 -11.306 1.00 0.00 C ATOM 885 CD PRO A 145 -0.393 -1.098 -10.112 1.00 0.00 C ATOM 0 HA PRO A 145 1.432 -3.512 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.234 -1.359 -11.120 1.00 0.00 H new ATOM 0 HB3 PRO A 145 1.963 -3.063 -11.424 1.00 0.00 H new ATOM 0 HG2 PRO A 145 0.084 -1.314 -12.229 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -0.445 -2.803 -11.471 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -0.120 -0.045 -10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -1.480 -1.142 -10.044 1.00 0.00 H new ATOM 893 N GLU A 146 2.971 -0.865 -8.013 1.00 0.00 N ATOM 894 CA GLU A 146 4.213 -0.527 -7.258 1.00 0.00 C ATOM 895 C GLU A 146 4.335 -1.341 -5.935 1.00 0.00 C ATOM 896 O GLU A 146 5.347 -2.031 -5.802 1.00 0.00 O ATOM 897 CB GLU A 146 4.341 1.005 -7.071 1.00 0.00 C ATOM 898 CG GLU A 146 4.646 1.788 -8.376 1.00 0.00 C ATOM 899 CD GLU A 146 5.994 1.567 -9.064 1.00 0.00 C ATOM 900 OE1 GLU A 146 6.213 0.491 -9.663 1.00 0.00 O ATOM 901 OE2 GLU A 146 6.823 2.500 -9.055 1.00 0.00 O ATOM 0 H GLU A 146 2.283 -0.113 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 146 5.073 -0.835 -7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.414 1.385 -6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 146 5.132 1.206 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 146 3.864 1.549 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 146 4.559 2.851 -8.152 1.00 0.00 H new ATOM 908 N PHE A 147 3.348 -1.338 -4.999 1.00 0.00 N ATOM 909 CA PHE A 147 3.418 -2.164 -3.759 1.00 0.00 C ATOM 910 C PHE A 147 3.510 -3.710 -4.064 1.00 0.00 C ATOM 911 O PHE A 147 4.380 -4.395 -3.498 1.00 0.00 O ATOM 912 CB PHE A 147 2.246 -1.709 -2.844 1.00 0.00 C ATOM 913 CG PHE A 147 2.023 -2.520 -1.555 1.00 0.00 C ATOM 914 CD1 PHE A 147 2.987 -2.653 -0.549 1.00 0.00 C ATOM 915 CD2 PHE A 147 0.826 -3.222 -1.438 1.00 0.00 C ATOM 916 CE1 PHE A 147 2.774 -3.532 0.514 1.00 0.00 C ATOM 917 CE2 PHE A 147 0.591 -4.054 -0.355 1.00 0.00 C ATOM 918 CZ PHE A 147 1.586 -4.261 0.580 1.00 0.00 C ATOM 0 H PHE A 147 2.499 -0.777 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 147 4.347 -1.998 -3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 147 2.414 -0.668 -2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 147 1.326 -1.738 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 147 3.898 -2.074 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.070 -3.117 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 147 3.525 -3.647 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.367 -4.539 -0.243 1.00 0.00 H new ATOM 0 HZ PHE A 147 1.444 -4.989 1.365 1.00 0.00 H new ATOM 928 N MET A 148 2.660 -4.237 -4.984 1.00 0.00 N ATOM 929 CA MET A 148 2.696 -5.664 -5.402 1.00 0.00 C ATOM 930 C MET A 148 4.059 -6.034 -6.083 1.00 0.00 C ATOM 931 O MET A 148 4.550 -7.124 -5.790 1.00 0.00 O ATOM 932 CB MET A 148 1.487 -6.078 -6.299 1.00 0.00 C ATOM 933 CG MET A 148 0.158 -6.150 -5.597 1.00 0.00 C ATOM 934 SD MET A 148 -0.207 -4.620 -4.711 1.00 0.00 S ATOM 935 CE MET A 148 -1.126 -5.311 -3.356 1.00 0.00 C ATOM 0 H MET A 148 1.937 -3.691 -5.453 1.00 0.00 H new ATOM 0 HA MET A 148 2.607 -6.243 -4.483 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.406 -5.367 -7.122 1.00 0.00 H new ATOM 0 HB3 MET A 148 1.700 -7.052 -6.739 1.00 0.00 H new ATOM 0 HG2 MET A 148 -0.629 -6.346 -6.325 1.00 0.00 H new ATOM 0 HG3 MET A 148 0.160 -6.985 -4.897 1.00 0.00 H new ATOM 0 HE1 MET A 148 -2.030 -4.724 -3.193 1.00 0.00 H new ATOM 0 HE2 MET A 148 -1.398 -6.340 -3.589 1.00 0.00 H new ATOM 0 HE3 MET A 148 -0.514 -5.293 -2.454 1.00 0.00 H new ATOM 945 N ASP A 149 4.675 -5.195 -6.963 1.00 0.00 N ATOM 946 CA ASP A 149 6.024 -5.488 -7.548 1.00 0.00 C ATOM 947 C ASP A 149 7.164 -5.398 -6.468 1.00 0.00 C ATOM 948 O ASP A 149 8.091 -6.214 -6.459 1.00 0.00 O ATOM 949 CB ASP A 149 6.259 -4.535 -8.751 1.00 0.00 C ATOM 950 CG ASP A 149 7.135 -5.114 -9.848 1.00 0.00 C ATOM 951 OD1 ASP A 149 6.721 -6.085 -10.514 1.00 0.00 O ATOM 952 OD2 ASP A 149 8.253 -4.593 -10.047 1.00 0.00 O ATOM 0 H ASP A 149 4.266 -4.317 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 149 6.052 -6.517 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 149 5.294 -4.264 -9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 149 6.715 -3.615 -8.386 1.00 0.00 H new ATOM 957 N LEU A 150 7.055 -4.413 -5.545 1.00 0.00 N ATOM 958 CA LEU A 150 7.951 -4.204 -4.385 1.00 0.00 C ATOM 959 C LEU A 150 8.015 -5.491 -3.496 1.00 0.00 C ATOM 960 O LEU A 150 9.128 -5.863 -3.122 1.00 0.00 O ATOM 961 CB LEU A 150 7.469 -2.881 -3.710 1.00 0.00 C ATOM 962 CG LEU A 150 7.861 -2.565 -2.238 1.00 0.00 C ATOM 963 CD1 LEU A 150 8.517 -1.189 -2.082 1.00 0.00 C ATOM 964 CD2 LEU A 150 6.623 -2.584 -1.320 1.00 0.00 C ATOM 0 H LEU A 150 6.312 -3.716 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 150 9.000 -4.065 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 150 7.828 -2.055 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 150 6.380 -2.869 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 150 8.573 -3.340 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 150 8.769 -1.023 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 150 9.424 -1.148 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 150 7.825 -0.416 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 150 6.925 -2.360 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 150 5.907 -1.835 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 150 6.160 -3.570 -1.354 1.00 0.00 H new ATOM 976 N ILE A 151 6.892 -6.196 -3.192 1.00 0.00 N ATOM 977 CA ILE A 151 6.957 -7.461 -2.397 1.00 0.00 C ATOM 978 C ILE A 151 7.196 -8.714 -3.294 1.00 0.00 C ATOM 979 O ILE A 151 8.108 -9.484 -2.974 1.00 0.00 O ATOM 980 CB ILE A 151 5.728 -7.584 -1.424 1.00 0.00 C ATOM 981 CG1 ILE A 151 5.859 -6.489 -0.326 1.00 0.00 C ATOM 982 CG2 ILE A 151 5.567 -8.986 -0.767 1.00 0.00 C ATOM 983 CD1 ILE A 151 4.749 -6.388 0.712 1.00 0.00 C ATOM 0 H ILE A 151 5.951 -5.922 -3.475 1.00 0.00 H new ATOM 0 HA ILE A 151 7.838 -7.414 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 151 4.829 -7.444 -2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 151 6.798 -6.655 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 151 5.941 -5.523 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 151 4.696 -8.983 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 151 5.434 -9.739 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 151 6.458 -9.219 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 151 4.976 -5.583 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 151 3.802 -6.180 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 151 4.673 -7.329 1.256 1.00 0.00 H new ATOM 995 N LYS A 152 6.411 -8.951 -4.364 1.00 0.00 N ATOM 996 CA LYS A 152 6.590 -10.149 -5.230 1.00 0.00 C ATOM 997 C LYS A 152 7.922 -10.227 -6.041 1.00 0.00 C ATOM 998 O LYS A 152 8.548 -11.294 -6.025 1.00 0.00 O ATOM 999 CB LYS A 152 5.355 -10.330 -6.162 1.00 0.00 C ATOM 1000 CG LYS A 152 4.057 -10.804 -5.455 1.00 0.00 C ATOM 1001 CD LYS A 152 2.853 -11.119 -6.376 1.00 0.00 C ATOM 1002 CE LYS A 152 3.129 -12.184 -7.460 1.00 0.00 C ATOM 1003 NZ LYS A 152 1.857 -12.753 -7.973 1.00 0.00 N ATOM 0 H LYS A 152 5.650 -8.337 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 152 6.668 -10.982 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.153 -9.381 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.609 -11.050 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 152 4.289 -11.698 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 152 3.753 -10.035 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 152 2.020 -11.456 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 152 2.536 -10.197 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 152 3.691 -11.738 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 152 3.748 -12.980 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 2.064 -13.467 -8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 1.335 -13.197 -7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 1.279 -11.994 -8.387 1.00 0.00 H new