USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=7 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+ 151:sc= 0 (180deg=-0.283) USER MOD Single : A 100 ASN : amide:sc= -0.0769 K(o=-0.077,f=-0.95) USER MOD Single : A 111 LYS NZ :NH3+ -154:sc= 0.973 (180deg=0.576) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -24:sc= -0.46 USER MOD Single : A 131 MET CE :methyl -143:sc= -0.274 (180deg=-1.8) USER MOD Single : A 132 LYS NZ :NH3+ -133:sc= 2.28 (180deg=-0.567) USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 148 MET CE :methyl 160:sc= -1.28 (180deg=-2.77!) USER MOD Single : A 152 LYS NZ :NH3+ 165:sc= 1.19 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -4.868 -12.280 -3.376 1.00 0.00 N ATOM 32 CA GLU A 89 -3.868 -12.182 -2.253 1.00 0.00 C ATOM 33 C GLU A 89 -3.583 -10.640 -1.846 1.00 0.00 C ATOM 34 O GLU A 89 -4.072 -9.989 -0.882 1.00 0.00 O ATOM 35 CB GLU A 89 -2.643 -13.020 -2.792 1.00 0.00 C ATOM 36 CG GLU A 89 -1.346 -13.104 -1.935 1.00 0.00 C ATOM 37 CD GLU A 89 -0.026 -13.343 -2.695 1.00 0.00 C ATOM 38 OE1 GLU A 89 0.067 -14.197 -3.610 1.00 0.00 O ATOM 39 OE2 GLU A 89 0.960 -12.656 -2.363 1.00 0.00 O ATOM 0 HA GLU A 89 -4.198 -12.589 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.991 -14.039 -2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.368 -12.611 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.250 -12.176 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.470 -13.907 -1.208 1.00 0.00 H new ATOM 46 N ILE A 90 -2.882 -10.056 -2.817 1.00 0.00 N ATOM 47 CA ILE A 90 -2.447 -8.646 -2.851 1.00 0.00 C ATOM 48 C ILE A 90 -3.697 -7.727 -3.076 1.00 0.00 C ATOM 49 O ILE A 90 -3.765 -6.711 -2.391 1.00 0.00 O ATOM 50 CB ILE A 90 -1.315 -8.484 -3.912 1.00 0.00 C ATOM 51 CG1 ILE A 90 -0.072 -9.435 -3.835 1.00 0.00 C ATOM 52 CG2 ILE A 90 -0.858 -7.039 -4.129 1.00 0.00 C ATOM 53 CD1 ILE A 90 0.925 -9.172 -2.710 1.00 0.00 C ATOM 0 H ILE A 90 -2.584 -10.572 -3.645 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.013 -8.332 -1.902 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.861 -8.832 -4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.433 -10.459 -3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.462 -9.374 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.070 -7.016 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.701 -6.438 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.477 -6.633 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.737 -9.897 -2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.330 -8.165 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.421 -9.266 -1.748 1.00 0.00 H new ATOM 65 N LEU A 91 -4.658 -8.031 -3.998 1.00 0.00 N ATOM 66 CA LEU A 91 -5.908 -7.232 -4.179 1.00 0.00 C ATOM 67 C LEU A 91 -6.697 -7.195 -2.842 1.00 0.00 C ATOM 68 O LEU A 91 -7.138 -6.113 -2.472 1.00 0.00 O ATOM 69 CB LEU A 91 -6.784 -7.698 -5.398 1.00 0.00 C ATOM 70 CG LEU A 91 -8.267 -8.206 -5.300 1.00 0.00 C ATOM 71 CD1 LEU A 91 -9.335 -7.153 -4.940 1.00 0.00 C ATOM 72 CD2 LEU A 91 -8.702 -8.861 -6.630 1.00 0.00 C ATOM 0 H LEU A 91 -4.589 -8.828 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.619 -6.214 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.801 -6.858 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.224 -8.500 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.231 -8.909 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.316 -7.627 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.105 -6.720 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.340 -6.367 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.732 -9.208 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.630 -8.131 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.051 -9.708 -6.849 1.00 0.00 H new ATOM 84 N ARG A 92 -6.866 -8.300 -2.066 1.00 0.00 N ATOM 85 CA ARG A 92 -7.533 -8.223 -0.738 1.00 0.00 C ATOM 86 C ARG A 92 -6.773 -7.158 0.108 1.00 0.00 C ATOM 87 O ARG A 92 -7.429 -6.181 0.482 1.00 0.00 O ATOM 88 CB ARG A 92 -7.675 -9.580 0.005 1.00 0.00 C ATOM 89 CG ARG A 92 -8.846 -10.505 -0.432 1.00 0.00 C ATOM 90 CD ARG A 92 -10.258 -9.898 -0.269 1.00 0.00 C ATOM 91 NE ARG A 92 -11.275 -10.920 0.112 1.00 0.00 N ATOM 92 CZ ARG A 92 -12.294 -11.329 -0.645 1.00 0.00 C ATOM 93 NH1 ARG A 92 -12.393 -11.114 -1.930 1.00 0.00 N ATOM 94 NH2 ARG A 92 -13.247 -12.005 -0.071 1.00 0.00 N ATOM 0 H ARG A 92 -6.557 -9.235 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.570 -7.926 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.743 -10.132 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.786 -9.373 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.703 -10.777 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.795 -11.427 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.229 -9.117 0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.557 -9.423 -1.204 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.183 -11.345 1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.659 -10.602 -2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.204 -11.458 -2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.199 -12.206 0.928 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.041 -12.333 -0.620 1.00 0.00 H new ATOM 108 N ALA A 93 -5.419 -7.204 0.253 1.00 0.00 N ATOM 109 CA ALA A 93 -4.759 -6.112 1.021 1.00 0.00 C ATOM 110 C ALA A 93 -4.806 -4.671 0.417 1.00 0.00 C ATOM 111 O ALA A 93 -5.453 -3.782 0.993 1.00 0.00 O ATOM 112 CB ALA A 93 -3.326 -6.563 1.353 1.00 0.00 C ATOM 0 H ALA A 93 -4.803 -7.926 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.359 -5.975 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.819 -5.780 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.360 -7.475 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.782 -6.755 0.428 1.00 0.00 H new ATOM 118 N PHE A 94 -4.169 -4.433 -0.739 1.00 0.00 N ATOM 119 CA PHE A 94 -4.179 -3.075 -1.376 1.00 0.00 C ATOM 120 C PHE A 94 -5.526 -2.609 -1.897 1.00 0.00 C ATOM 121 O PHE A 94 -5.883 -1.450 -1.691 1.00 0.00 O ATOM 122 CB PHE A 94 -3.196 -2.969 -2.558 1.00 0.00 C ATOM 123 CG PHE A 94 -2.964 -1.634 -3.303 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.920 -1.124 -4.191 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.786 -0.912 -3.093 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.732 0.109 -4.796 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.564 0.286 -3.760 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.554 0.806 -4.582 1.00 0.00 C ATOM 0 H PHE A 94 -3.645 -5.138 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.885 -2.434 -0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.224 -3.299 -2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.519 -3.695 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.811 -1.696 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.042 -1.289 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.500 0.524 -5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.627 0.809 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.405 1.763 -5.059 1.00 0.00 H new ATOM 138 N LYS A 95 -6.201 -3.474 -2.657 1.00 0.00 N ATOM 139 CA LYS A 95 -7.508 -3.124 -3.227 1.00 0.00 C ATOM 140 C LYS A 95 -8.579 -3.025 -2.058 1.00 0.00 C ATOM 141 O LYS A 95 -9.589 -2.368 -2.328 1.00 0.00 O ATOM 142 CB LYS A 95 -7.717 -3.988 -4.512 1.00 0.00 C ATOM 143 CG LYS A 95 -6.594 -3.895 -5.630 1.00 0.00 C ATOM 144 CD LYS A 95 -7.056 -2.999 -6.804 1.00 0.00 C ATOM 145 CE LYS A 95 -7.522 -3.750 -8.073 1.00 0.00 C ATOM 146 NZ LYS A 95 -8.831 -4.422 -7.888 1.00 0.00 N ATOM 0 H LYS A 95 -5.872 -4.411 -2.891 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.621 -2.122 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.808 -5.031 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.668 -3.703 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.678 -3.492 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.360 -4.893 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.874 -2.368 -6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.235 -2.336 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.593 -3.046 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.772 -4.492 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.325 -4.477 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.679 -5.382 -7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.408 -3.879 -7.214 1.00 0.00 H new ATOM 160 N VAL A 96 -8.421 -3.594 -0.795 1.00 0.00 N ATOM 161 CA VAL A 96 -9.340 -3.200 0.328 1.00 0.00 C ATOM 162 C VAL A 96 -8.891 -1.735 0.754 1.00 0.00 C ATOM 163 O VAL A 96 -9.751 -0.865 0.909 1.00 0.00 O ATOM 164 CB VAL A 96 -9.422 -4.185 1.549 1.00 0.00 C ATOM 165 CG1 VAL A 96 -8.417 -4.038 2.720 1.00 0.00 C ATOM 166 CG2 VAL A 96 -10.798 -4.123 2.207 1.00 0.00 C ATOM 0 H VAL A 96 -7.709 -4.283 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.367 -3.239 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.176 -5.121 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.621 -4.800 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.401 -4.161 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.521 -3.049 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.830 -4.814 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.987 -3.110 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.562 -4.401 1.481 1.00 0.00 H new ATOM 176 N PHE A 97 -7.556 -1.484 0.915 1.00 0.00 N ATOM 177 CA PHE A 97 -6.969 -0.147 1.239 1.00 0.00 C ATOM 178 C PHE A 97 -7.377 1.043 0.316 1.00 0.00 C ATOM 179 O PHE A 97 -7.541 2.156 0.825 1.00 0.00 O ATOM 180 CB PHE A 97 -5.422 -0.307 1.343 1.00 0.00 C ATOM 181 CG PHE A 97 -4.656 0.644 2.290 1.00 0.00 C ATOM 182 CD1 PHE A 97 -4.556 2.023 2.057 1.00 0.00 C ATOM 183 CD2 PHE A 97 -3.952 0.093 3.368 1.00 0.00 C ATOM 184 CE1 PHE A 97 -3.764 2.817 2.874 1.00 0.00 C ATOM 185 CE2 PHE A 97 -3.190 0.894 4.209 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.102 2.257 3.963 1.00 0.00 C ATOM 0 H PHE A 97 -6.850 -2.214 0.822 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.404 0.154 2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.212 -1.330 1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.006 -0.188 0.343 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.099 2.470 1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.002 -0.971 3.548 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.661 3.871 2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.669 0.459 5.049 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.518 2.885 4.619 1.00 0.00 H new ATOM 196 N ASP A 98 -7.560 0.810 -1.000 1.00 0.00 N ATOM 197 CA ASP A 98 -7.962 1.832 -2.001 1.00 0.00 C ATOM 198 C ASP A 98 -9.400 2.375 -1.648 1.00 0.00 C ATOM 199 O ASP A 98 -10.417 1.680 -1.782 1.00 0.00 O ATOM 200 CB ASP A 98 -7.709 1.162 -3.403 1.00 0.00 C ATOM 201 CG ASP A 98 -8.807 1.107 -4.464 1.00 0.00 C ATOM 202 OD1 ASP A 98 -9.623 2.058 -4.561 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.844 0.123 -5.210 1.00 0.00 O ATOM 0 H ASP A 98 -7.430 -0.115 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.384 2.756 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.858 1.675 -3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.398 0.135 -3.213 1.00 0.00 H new ATOM 208 N ALA A 99 -9.437 3.615 -1.115 1.00 0.00 N ATOM 209 CA ALA A 99 -10.689 4.302 -0.681 1.00 0.00 C ATOM 210 C ALA A 99 -11.744 4.551 -1.795 1.00 0.00 C ATOM 211 O ALA A 99 -12.934 4.308 -1.573 1.00 0.00 O ATOM 212 CB ALA A 99 -10.330 5.612 0.056 1.00 0.00 C ATOM 0 H ALA A 99 -8.598 4.177 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.188 3.606 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.244 6.114 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.721 5.382 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.771 6.265 -0.614 1.00 0.00 H new ATOM 218 N ASN A 100 -11.303 5.021 -2.974 1.00 0.00 N ATOM 219 CA ASN A 100 -12.185 5.281 -4.141 1.00 0.00 C ATOM 220 C ASN A 100 -12.810 4.042 -4.871 1.00 0.00 C ATOM 221 O ASN A 100 -13.797 4.228 -5.586 1.00 0.00 O ATOM 222 CB ASN A 100 -11.441 6.184 -5.170 1.00 0.00 C ATOM 223 CG ASN A 100 -10.137 5.608 -5.795 1.00 0.00 C ATOM 224 OD1 ASN A 100 -10.197 4.959 -6.837 1.00 0.00 O ATOM 225 ND2 ASN A 100 -8.955 5.761 -5.203 1.00 0.00 N ATOM 0 H ASN A 100 -10.322 5.234 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 100 -13.051 5.777 -3.703 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -12.132 6.416 -5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.196 7.126 -4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.121 5.343 -5.615 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.884 6.296 -4.338 1.00 0.00 H new ATOM 232 N GLY A 101 -12.271 2.817 -4.717 1.00 0.00 N ATOM 233 CA GLY A 101 -12.796 1.619 -5.420 1.00 0.00 C ATOM 234 C GLY A 101 -12.372 1.392 -6.902 1.00 0.00 C ATOM 235 O GLY A 101 -13.083 0.669 -7.604 1.00 0.00 O ATOM 0 H GLY A 101 -11.472 2.626 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.497 0.740 -4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.885 1.664 -5.388 1.00 0.00 H new ATOM 239 N ASP A 102 -11.253 1.987 -7.370 1.00 0.00 N ATOM 240 CA ASP A 102 -10.712 1.820 -8.752 1.00 0.00 C ATOM 241 C ASP A 102 -9.313 1.094 -8.821 1.00 0.00 C ATOM 242 O ASP A 102 -9.047 0.359 -9.784 1.00 0.00 O ATOM 243 CB ASP A 102 -10.755 3.205 -9.502 1.00 0.00 C ATOM 244 CG ASP A 102 -9.441 3.870 -9.953 1.00 0.00 C ATOM 245 OD1 ASP A 102 -8.562 4.134 -9.104 1.00 0.00 O ATOM 246 OD2 ASP A 102 -9.262 4.036 -11.185 1.00 0.00 O ATOM 0 H ASP A 102 -10.685 2.609 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.363 1.125 -9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.376 3.076 -10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.271 3.911 -8.852 1.00 0.00 H new ATOM 251 N GLY A 103 -8.496 1.209 -7.767 1.00 0.00 N ATOM 252 CA GLY A 103 -7.132 0.677 -7.685 1.00 0.00 C ATOM 253 C GLY A 103 -5.992 1.689 -7.417 1.00 0.00 C ATOM 254 O GLY A 103 -4.849 1.340 -7.729 1.00 0.00 O ATOM 0 H GLY A 103 -8.779 1.694 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.109 -0.074 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.914 0.162 -8.621 1.00 0.00 H new ATOM 258 N VAL A 104 -6.258 2.898 -6.849 1.00 0.00 N ATOM 259 CA VAL A 104 -5.182 3.841 -6.437 1.00 0.00 C ATOM 260 C VAL A 104 -5.361 4.205 -4.922 1.00 0.00 C ATOM 261 O VAL A 104 -6.465 4.229 -4.365 1.00 0.00 O ATOM 262 CB VAL A 104 -4.988 5.115 -7.339 1.00 0.00 C ATOM 263 CG1 VAL A 104 -5.874 6.351 -7.068 1.00 0.00 C ATOM 264 CG2 VAL A 104 -3.499 5.456 -7.419 1.00 0.00 C ATOM 0 H VAL A 104 -7.202 3.240 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.245 3.305 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.375 4.817 -8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.619 7.143 -7.772 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.923 6.081 -7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.706 6.703 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.361 6.339 -8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.117 5.657 -6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.956 4.616 -7.853 1.00 0.00 H new ATOM 274 N ILE A 105 -4.217 4.497 -4.287 1.00 0.00 N ATOM 275 CA ILE A 105 -4.127 4.909 -2.855 1.00 0.00 C ATOM 276 C ILE A 105 -3.445 6.292 -2.770 1.00 0.00 C ATOM 277 O ILE A 105 -2.361 6.443 -3.313 1.00 0.00 O ATOM 278 CB ILE A 105 -3.321 3.935 -1.914 1.00 0.00 C ATOM 279 CG1 ILE A 105 -4.009 2.555 -1.785 1.00 0.00 C ATOM 280 CG2 ILE A 105 -3.051 4.486 -0.468 1.00 0.00 C ATOM 281 CD1 ILE A 105 -3.106 1.520 -1.115 1.00 0.00 C ATOM 0 H ILE A 105 -3.308 4.457 -4.749 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.158 4.907 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.357 3.840 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.927 2.661 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.294 2.199 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.491 3.746 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.474 5.408 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.001 4.686 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.632 0.568 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.199 1.392 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.842 1.861 -0.114 1.00 0.00 H new ATOM 293 N ASP A 106 -4.003 7.236 -1.998 1.00 0.00 N ATOM 294 CA ASP A 106 -3.390 8.571 -1.751 1.00 0.00 C ATOM 295 C ASP A 106 -2.870 8.711 -0.264 1.00 0.00 C ATOM 296 O ASP A 106 -2.952 7.781 0.550 1.00 0.00 O ATOM 297 CB ASP A 106 -4.348 9.672 -2.296 1.00 0.00 C ATOM 298 CG ASP A 106 -5.526 10.176 -1.457 1.00 0.00 C ATOM 299 OD1 ASP A 106 -5.379 10.360 -0.230 1.00 0.00 O ATOM 300 OD2 ASP A 106 -6.599 10.435 -2.041 1.00 0.00 O ATOM 0 H ASP A 106 -4.895 7.105 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.466 8.705 -2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.734 10.539 -2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.760 9.301 -3.235 1.00 0.00 H new ATOM 305 N PHE A 107 -2.277 9.872 0.077 1.00 0.00 N ATOM 306 CA PHE A 107 -1.719 10.147 1.437 1.00 0.00 C ATOM 307 C PHE A 107 -2.793 10.464 2.519 1.00 0.00 C ATOM 308 O PHE A 107 -2.729 9.892 3.618 1.00 0.00 O ATOM 309 CB PHE A 107 -0.605 11.228 1.324 1.00 0.00 C ATOM 310 CG PHE A 107 0.668 10.973 2.167 1.00 0.00 C ATOM 311 CD1 PHE A 107 0.643 10.866 3.568 1.00 0.00 C ATOM 312 CD2 PHE A 107 1.895 10.850 1.502 1.00 0.00 C ATOM 313 CE1 PHE A 107 1.825 10.653 4.276 1.00 0.00 C ATOM 314 CE2 PHE A 107 3.072 10.645 2.212 1.00 0.00 C ATOM 315 CZ PHE A 107 3.037 10.558 3.596 1.00 0.00 C ATOM 0 H PHE A 107 -2.166 10.650 -0.573 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.271 9.225 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.314 11.315 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.026 12.189 1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.294 10.949 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 107 1.927 10.915 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.801 10.562 5.352 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.012 10.554 1.687 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.954 10.416 4.149 1.00 0.00 H new ATOM 325 N ASP A 108 -3.766 11.364 2.226 1.00 0.00 N ATOM 326 CA ASP A 108 -4.888 11.658 3.175 1.00 0.00 C ATOM 327 C ASP A 108 -5.744 10.363 3.432 1.00 0.00 C ATOM 328 O ASP A 108 -6.118 10.142 4.588 1.00 0.00 O ATOM 329 CB ASP A 108 -5.737 12.893 2.765 1.00 0.00 C ATOM 330 CG ASP A 108 -4.999 14.232 2.884 1.00 0.00 C ATOM 331 OD1 ASP A 108 -4.588 14.593 4.011 1.00 0.00 O ATOM 332 OD2 ASP A 108 -4.832 14.928 1.860 1.00 0.00 O ATOM 0 H ASP A 108 -3.804 11.895 1.356 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.445 11.949 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.070 12.765 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.631 12.928 3.387 1.00 0.00 H new ATOM 337 N GLU A 109 -6.014 9.488 2.423 1.00 0.00 N ATOM 338 CA GLU A 109 -6.695 8.186 2.657 1.00 0.00 C ATOM 339 C GLU A 109 -5.812 7.228 3.543 1.00 0.00 C ATOM 340 O GLU A 109 -6.398 6.515 4.366 1.00 0.00 O ATOM 341 CB GLU A 109 -7.171 7.517 1.343 1.00 0.00 C ATOM 342 CG GLU A 109 -6.126 6.873 0.428 1.00 0.00 C ATOM 343 CD GLU A 109 -6.714 5.879 -0.559 1.00 0.00 C ATOM 344 OE1 GLU A 109 -7.187 6.296 -1.635 1.00 0.00 O ATOM 345 OE2 GLU A 109 -6.670 4.668 -0.267 1.00 0.00 O ATOM 0 H GLU A 109 -5.772 9.661 1.447 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.603 8.396 3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -7.898 6.749 1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.701 8.271 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -5.606 7.656 -0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.381 6.366 1.041 1.00 0.00 H new ATOM 352 N PHE A 110 -4.442 7.204 3.412 1.00 0.00 N ATOM 353 CA PHE A 110 -3.575 6.377 4.294 1.00 0.00 C ATOM 354 C PHE A 110 -3.717 6.870 5.776 1.00 0.00 C ATOM 355 O PHE A 110 -3.959 6.033 6.647 1.00 0.00 O ATOM 356 CB PHE A 110 -2.109 6.444 3.760 1.00 0.00 C ATOM 357 CG PHE A 110 -1.151 5.275 4.066 1.00 0.00 C ATOM 358 CD1 PHE A 110 -0.633 5.059 5.348 1.00 0.00 C ATOM 359 CD2 PHE A 110 -0.698 4.475 3.009 1.00 0.00 C ATOM 360 CE1 PHE A 110 0.328 4.071 5.566 1.00 0.00 C ATOM 361 CE2 PHE A 110 0.254 3.482 3.227 1.00 0.00 C ATOM 362 CZ PHE A 110 0.776 3.289 4.500 1.00 0.00 C ATOM 0 H PHE A 110 -3.932 7.743 2.712 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.879 5.330 4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.157 6.556 2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.656 7.354 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -0.980 5.661 6.175 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.091 4.630 2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.725 3.912 6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.586 2.862 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.529 2.533 4.665 1.00 0.00 H new ATOM 372 N LYS A 111 -3.617 8.204 6.044 1.00 0.00 N ATOM 373 CA LYS A 111 -3.850 8.804 7.396 1.00 0.00 C ATOM 374 C LYS A 111 -5.258 8.415 7.967 1.00 0.00 C ATOM 375 O LYS A 111 -5.339 7.891 9.082 1.00 0.00 O ATOM 376 CB LYS A 111 -3.624 10.342 7.337 1.00 0.00 C ATOM 377 CG LYS A 111 -2.138 10.747 7.281 1.00 0.00 C ATOM 378 CD LYS A 111 -1.912 12.276 7.254 1.00 0.00 C ATOM 379 CE LYS A 111 -0.640 12.759 7.975 1.00 0.00 C ATOM 380 NZ LYS A 111 0.617 12.362 7.293 1.00 0.00 N ATOM 0 H LYS A 111 -3.374 8.893 5.333 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.125 8.391 8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.134 10.742 6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.084 10.802 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.623 10.328 8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -1.683 10.306 6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.869 12.603 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.775 12.764 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.670 13.845 8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -0.634 12.361 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.388 12.310 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 0.490 11.432 6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.855 13.066 6.566 1.00 0.00 H new ATOM 394 N PHE A 112 -6.345 8.630 7.196 1.00 0.00 N ATOM 395 CA PHE A 112 -7.735 8.232 7.570 1.00 0.00 C ATOM 396 C PHE A 112 -7.865 6.722 7.983 1.00 0.00 C ATOM 397 O PHE A 112 -8.476 6.413 9.009 1.00 0.00 O ATOM 398 CB PHE A 112 -8.630 8.599 6.340 1.00 0.00 C ATOM 399 CG PHE A 112 -10.064 8.036 6.301 1.00 0.00 C ATOM 400 CD1 PHE A 112 -11.048 8.544 7.158 1.00 0.00 C ATOM 401 CD2 PHE A 112 -10.375 6.969 5.450 1.00 0.00 C ATOM 402 CE1 PHE A 112 -12.331 7.998 7.149 1.00 0.00 C ATOM 403 CE2 PHE A 112 -11.661 6.434 5.437 1.00 0.00 C ATOM 404 CZ PHE A 112 -12.638 6.953 6.286 1.00 0.00 C ATOM 0 H PHE A 112 -6.291 9.088 6.286 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.055 8.765 8.466 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.695 9.686 6.286 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.115 8.265 5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.813 9.359 7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -9.615 6.559 4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -13.087 8.388 7.814 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -11.901 5.619 4.771 1.00 0.00 H new ATOM 0 HZ PHE A 112 -13.636 6.541 6.273 1.00 0.00 H new ATOM 414 N ILE A 113 -7.293 5.818 7.165 1.00 0.00 N ATOM 415 CA ILE A 113 -7.320 4.346 7.402 1.00 0.00 C ATOM 416 C ILE A 113 -6.266 3.778 8.405 1.00 0.00 C ATOM 417 O ILE A 113 -6.414 2.641 8.855 1.00 0.00 O ATOM 418 CB ILE A 113 -7.340 3.703 5.961 1.00 0.00 C ATOM 419 CG1 ILE A 113 -8.501 2.681 5.858 1.00 0.00 C ATOM 420 CG2 ILE A 113 -6.017 3.157 5.397 1.00 0.00 C ATOM 421 CD1 ILE A 113 -8.874 2.201 4.442 1.00 0.00 C ATOM 0 H ILE A 113 -6.795 6.081 6.315 1.00 0.00 H new ATOM 0 HA ILE A 113 -8.210 4.063 7.964 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.512 4.547 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.240 1.808 6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -9.387 3.125 6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.187 2.747 4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.286 3.964 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.638 2.372 6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -9.698 1.490 4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.176 3.055 3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -8.012 1.717 3.983 1.00 0.00 H new ATOM 433 N MET A 114 -5.240 4.568 8.759 1.00 0.00 N ATOM 434 CA MET A 114 -4.188 4.228 9.762 1.00 0.00 C ATOM 435 C MET A 114 -4.844 4.040 11.161 1.00 0.00 C ATOM 436 O MET A 114 -4.695 2.978 11.768 1.00 0.00 O ATOM 437 CB MET A 114 -3.152 5.386 9.786 1.00 0.00 C ATOM 438 CG MET A 114 -1.937 5.172 10.686 1.00 0.00 C ATOM 439 SD MET A 114 -0.695 4.163 9.847 1.00 0.00 S ATOM 440 CE MET A 114 0.478 3.905 11.192 1.00 0.00 C ATOM 0 H MET A 114 -5.105 5.492 8.349 1.00 0.00 H new ATOM 0 HA MET A 114 -3.686 3.297 9.497 1.00 0.00 H new ATOM 0 HB2 MET A 114 -2.801 5.556 8.768 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.660 6.296 10.104 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.506 6.135 10.960 1.00 0.00 H new ATOM 0 HG3 MET A 114 -2.244 4.685 11.612 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.310 3.297 10.837 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.854 4.868 11.537 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.020 3.394 12.016 1.00 0.00 H new ATOM 575 N THR A 123 1.405 11.076 15.834 1.00 0.00 N ATOM 576 CA THR A 123 2.749 11.463 15.333 1.00 0.00 C ATOM 577 C THR A 123 2.757 11.141 13.816 1.00 0.00 C ATOM 578 O THR A 123 2.493 10.012 13.379 1.00 0.00 O ATOM 579 CB THR A 123 3.962 10.787 16.019 1.00 0.00 C ATOM 580 OG1 THR A 123 3.839 9.374 16.017 1.00 0.00 O ATOM 581 CG2 THR A 123 4.226 11.218 17.467 1.00 0.00 C ATOM 0 HA THR A 123 2.885 12.519 15.564 1.00 0.00 H new ATOM 0 HB THR A 123 4.805 11.124 15.415 1.00 0.00 H new ATOM 0 HG1 THR A 123 2.893 9.128 15.952 1.00 0.00 H new ATOM 0 HG21 THR A 123 5.096 10.686 17.852 1.00 0.00 H new ATOM 0 HG22 THR A 123 4.414 12.291 17.499 1.00 0.00 H new ATOM 0 HG23 THR A 123 3.356 10.984 18.081 1.00 0.00 H new ATOM 589 N ASP A 124 3.059 12.182 13.037 1.00 0.00 N ATOM 590 CA ASP A 124 3.139 12.093 11.557 1.00 0.00 C ATOM 591 C ASP A 124 4.286 11.194 11.023 1.00 0.00 C ATOM 592 O ASP A 124 4.066 10.472 10.048 1.00 0.00 O ATOM 593 CB ASP A 124 3.179 13.532 10.971 1.00 0.00 C ATOM 594 CG ASP A 124 2.324 13.690 9.723 1.00 0.00 C ATOM 595 OD1 ASP A 124 2.691 13.155 8.654 1.00 0.00 O ATOM 596 OD2 ASP A 124 1.240 14.301 9.804 1.00 0.00 O ATOM 0 H ASP A 124 3.257 13.114 13.403 1.00 0.00 H new ATOM 0 HA ASP A 124 2.242 11.580 11.209 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.838 14.237 11.730 1.00 0.00 H new ATOM 0 HB3 ASP A 124 4.210 13.793 10.734 1.00 0.00 H new ATOM 601 N ALA A 125 5.461 11.212 11.695 1.00 0.00 N ATOM 602 CA ALA A 125 6.623 10.373 11.335 1.00 0.00 C ATOM 603 C ALA A 125 6.334 8.854 11.223 1.00 0.00 C ATOM 604 O ALA A 125 6.914 8.228 10.333 1.00 0.00 O ATOM 605 CB ALA A 125 7.735 10.662 12.353 1.00 0.00 C ATOM 0 H ALA A 125 5.628 11.811 12.504 1.00 0.00 H new ATOM 0 HA ALA A 125 6.924 10.644 10.323 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.611 10.058 12.117 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.001 11.718 12.311 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.384 10.416 13.355 1.00 0.00 H new ATOM 611 N GLU A 126 5.447 8.258 12.062 1.00 0.00 N ATOM 612 CA GLU A 126 5.092 6.811 11.938 1.00 0.00 C ATOM 613 C GLU A 126 4.409 6.493 10.541 1.00 0.00 C ATOM 614 O GLU A 126 4.897 5.676 9.736 1.00 0.00 O ATOM 615 CB GLU A 126 4.174 6.467 13.148 1.00 0.00 C ATOM 616 CG GLU A 126 4.697 6.754 14.578 1.00 0.00 C ATOM 617 CD GLU A 126 5.237 5.569 15.359 1.00 0.00 C ATOM 618 OE1 GLU A 126 6.382 5.149 15.097 1.00 0.00 O ATOM 619 OE2 GLU A 126 4.523 5.072 16.255 1.00 0.00 O ATOM 0 H GLU A 126 4.969 8.744 12.821 1.00 0.00 H new ATOM 0 HA GLU A 126 5.985 6.187 11.961 1.00 0.00 H new ATOM 0 HB2 GLU A 126 3.239 7.013 13.021 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.933 5.406 13.090 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.486 7.503 14.507 1.00 0.00 H new ATOM 0 HG3 GLU A 126 3.886 7.199 15.154 1.00 0.00 H new ATOM 626 N VAL A 127 3.306 7.241 10.266 1.00 0.00 N ATOM 627 CA VAL A 127 2.502 7.145 9.014 1.00 0.00 C ATOM 628 C VAL A 127 3.348 7.551 7.767 1.00 0.00 C ATOM 629 O VAL A 127 3.342 6.820 6.765 1.00 0.00 O ATOM 630 CB VAL A 127 1.156 7.972 9.107 1.00 0.00 C ATOM 631 CG1 VAL A 127 0.099 7.427 8.124 1.00 0.00 C ATOM 632 CG2 VAL A 127 0.487 8.082 10.502 1.00 0.00 C ATOM 0 H VAL A 127 2.944 7.938 10.917 1.00 0.00 H new ATOM 0 HA VAL A 127 2.217 6.100 8.891 1.00 0.00 H new ATOM 0 HB VAL A 127 1.488 8.978 8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.815 8.015 8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.480 7.496 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -0.116 6.385 8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.425 8.674 10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.242 7.085 10.867 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.173 8.565 11.198 1.00 0.00 H new ATOM 642 N GLU A 128 4.077 8.694 7.843 1.00 0.00 N ATOM 643 CA GLU A 128 4.983 9.169 6.772 1.00 0.00 C ATOM 644 C GLU A 128 6.081 8.116 6.430 1.00 0.00 C ATOM 645 O GLU A 128 6.230 7.795 5.249 1.00 0.00 O ATOM 646 CB GLU A 128 5.542 10.553 7.212 1.00 0.00 C ATOM 647 CG GLU A 128 6.183 11.413 6.091 1.00 0.00 C ATOM 648 CD GLU A 128 7.492 12.105 6.456 1.00 0.00 C ATOM 649 OE1 GLU A 128 8.517 11.405 6.630 1.00 0.00 O ATOM 650 OE2 GLU A 128 7.523 13.350 6.512 1.00 0.00 O ATOM 0 H GLU A 128 4.051 9.313 8.654 1.00 0.00 H new ATOM 0 HA GLU A 128 4.444 9.296 5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.730 11.124 7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.288 10.391 7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.360 10.775 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.464 12.173 5.786 1.00 0.00 H new ATOM 657 N GLU A 129 6.798 7.533 7.420 1.00 0.00 N ATOM 658 CA GLU A 129 7.805 6.463 7.170 1.00 0.00 C ATOM 659 C GLU A 129 7.188 5.216 6.463 1.00 0.00 C ATOM 660 O GLU A 129 7.751 4.782 5.445 1.00 0.00 O ATOM 661 CB GLU A 129 8.569 6.083 8.467 1.00 0.00 C ATOM 662 CG GLU A 129 9.582 7.136 8.985 1.00 0.00 C ATOM 663 CD GLU A 129 10.834 7.320 8.140 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.805 8.141 7.201 1.00 0.00 O ATOM 665 OE2 GLU A 129 11.856 6.665 8.421 1.00 0.00 O ATOM 0 H GLU A 129 6.700 7.784 8.404 1.00 0.00 H new ATOM 0 HA GLU A 129 8.537 6.875 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.839 5.891 9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.102 5.149 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.073 8.097 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.885 6.856 9.994 1.00 0.00 H new ATOM 672 N ALA A 130 6.032 4.687 6.951 1.00 0.00 N ATOM 673 CA ALA A 130 5.370 3.535 6.269 1.00 0.00 C ATOM 674 C ALA A 130 4.946 3.818 4.780 1.00 0.00 C ATOM 675 O ALA A 130 5.336 3.063 3.866 1.00 0.00 O ATOM 676 CB ALA A 130 4.195 3.048 7.141 1.00 0.00 C ATOM 0 H ALA A 130 5.551 5.024 7.785 1.00 0.00 H new ATOM 0 HA ALA A 130 6.108 2.738 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.704 2.206 6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.570 2.734 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.479 3.859 7.273 1.00 0.00 H new ATOM 682 N MET A 131 4.204 4.936 4.528 1.00 0.00 N ATOM 683 CA MET A 131 3.795 5.295 3.134 1.00 0.00 C ATOM 684 C MET A 131 4.996 5.716 2.268 1.00 0.00 C ATOM 685 O MET A 131 4.924 5.403 1.089 1.00 0.00 O ATOM 686 CB MET A 131 2.657 6.349 3.126 1.00 0.00 C ATOM 687 CG MET A 131 1.816 6.473 1.841 1.00 0.00 C ATOM 688 SD MET A 131 2.648 7.442 0.567 1.00 0.00 S ATOM 689 CE MET A 131 1.253 7.844 -0.509 1.00 0.00 C ATOM 0 H MET A 131 3.885 5.586 5.246 1.00 0.00 H new ATOM 0 HA MET A 131 3.391 4.393 2.674 1.00 0.00 H new ATOM 0 HB2 MET A 131 1.981 6.122 3.950 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.099 7.323 3.335 1.00 0.00 H new ATOM 0 HG2 MET A 131 1.600 5.477 1.454 1.00 0.00 H new ATOM 0 HG3 MET A 131 0.859 6.937 2.080 1.00 0.00 H new ATOM 0 HE1 MET A 131 1.578 7.823 -1.549 1.00 0.00 H new ATOM 0 HE2 MET A 131 0.458 7.113 -0.363 1.00 0.00 H new ATOM 0 HE3 MET A 131 0.880 8.839 -0.265 1.00 0.00 H new ATOM 699 N LYS A 132 6.057 6.388 2.767 1.00 0.00 N ATOM 700 CA LYS A 132 7.273 6.660 1.950 1.00 0.00 C ATOM 701 C LYS A 132 7.996 5.314 1.587 1.00 0.00 C ATOM 702 O LYS A 132 8.516 5.229 0.476 1.00 0.00 O ATOM 703 CB LYS A 132 8.267 7.564 2.669 1.00 0.00 C ATOM 704 CG LYS A 132 7.931 9.067 2.793 1.00 0.00 C ATOM 705 CD LYS A 132 8.611 9.731 4.005 1.00 0.00 C ATOM 706 CE LYS A 132 10.123 9.517 4.177 1.00 0.00 C ATOM 707 NZ LYS A 132 10.488 10.040 5.518 1.00 0.00 N ATOM 0 H LYS A 132 6.102 6.751 3.719 1.00 0.00 H new ATOM 0 HA LYS A 132 6.934 7.170 1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 132 8.407 7.170 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 132 9.225 7.478 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 132 8.240 9.580 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 132 6.851 9.188 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 132 8.428 10.804 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 132 8.116 9.371 4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 132 10.374 8.460 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 132 10.677 10.038 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.335 10.638 5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 9.700 10.603 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 10.685 9.245 6.159 1.00 0.00 H new ATOM 721 N GLU A 133 8.106 4.284 2.481 1.00 0.00 N ATOM 722 CA GLU A 133 8.667 2.961 2.069 1.00 0.00 C ATOM 723 C GLU A 133 7.810 2.335 0.907 1.00 0.00 C ATOM 724 O GLU A 133 8.398 1.780 -0.028 1.00 0.00 O ATOM 725 CB GLU A 133 8.815 1.974 3.255 1.00 0.00 C ATOM 726 CG GLU A 133 10.035 2.220 4.182 1.00 0.00 C ATOM 727 CD GLU A 133 10.561 0.948 4.831 1.00 0.00 C ATOM 728 OE1 GLU A 133 11.444 0.286 4.238 1.00 0.00 O ATOM 729 OE2 GLU A 133 10.063 0.539 5.898 1.00 0.00 O ATOM 0 H GLU A 133 7.824 4.341 3.459 1.00 0.00 H new ATOM 0 HA GLU A 133 9.676 3.144 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.908 2.019 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.882 0.962 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.835 2.683 3.604 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.754 2.928 4.961 1.00 0.00 H new ATOM 736 N ALA A 134 6.454 2.440 0.966 1.00 0.00 N ATOM 737 CA ALA A 134 5.580 1.958 -0.140 1.00 0.00 C ATOM 738 C ALA A 134 5.461 2.885 -1.410 1.00 0.00 C ATOM 739 O ALA A 134 5.200 2.387 -2.508 1.00 0.00 O ATOM 740 CB ALA A 134 4.250 1.545 0.489 1.00 0.00 C ATOM 0 H ALA A 134 5.949 2.847 1.753 1.00 0.00 H new ATOM 0 HA ALA A 134 6.061 1.099 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.576 1.184 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.422 0.752 1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.801 2.404 0.988 1.00 0.00 H new ATOM 746 N ASP A 135 5.671 4.237 -1.328 1.00 0.00 N ATOM 747 CA ASP A 135 5.677 5.181 -2.503 1.00 0.00 C ATOM 748 C ASP A 135 7.139 5.241 -3.038 1.00 0.00 C ATOM 749 O ASP A 135 8.079 5.737 -2.406 1.00 0.00 O ATOM 750 CB ASP A 135 5.214 6.658 -2.245 1.00 0.00 C ATOM 751 CG ASP A 135 5.338 7.715 -3.417 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.380 7.341 -4.591 1.00 0.00 O ATOM 753 OD2 ASP A 135 5.334 8.913 -3.074 1.00 0.00 O ATOM 0 H ASP A 135 5.842 4.709 -0.440 1.00 0.00 H new ATOM 0 HA ASP A 135 4.940 4.774 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.168 6.627 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 135 5.783 7.038 -1.397 1.00 0.00 H new ATOM 758 N GLU A 136 7.271 4.760 -4.260 1.00 0.00 N ATOM 759 CA GLU A 136 8.545 4.745 -5.008 1.00 0.00 C ATOM 760 C GLU A 136 9.039 6.092 -5.635 1.00 0.00 C ATOM 761 O GLU A 136 10.252 6.240 -5.827 1.00 0.00 O ATOM 762 CB GLU A 136 8.438 3.637 -6.085 1.00 0.00 C ATOM 763 CG GLU A 136 8.239 2.217 -5.494 1.00 0.00 C ATOM 764 CD GLU A 136 8.873 1.094 -6.284 1.00 0.00 C ATOM 765 OE1 GLU A 136 10.062 1.197 -6.655 1.00 0.00 O ATOM 766 OE2 GLU A 136 8.222 0.047 -6.479 1.00 0.00 O ATOM 0 H GLU A 136 6.492 4.359 -4.782 1.00 0.00 H new ATOM 0 HA GLU A 136 9.320 4.550 -4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 136 7.604 3.866 -6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.342 3.645 -6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.645 2.202 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.170 2.022 -5.411 1.00 0.00 H new ATOM 773 N ASP A 137 8.141 7.039 -5.989 1.00 0.00 N ATOM 774 CA ASP A 137 8.550 8.291 -6.711 1.00 0.00 C ATOM 775 C ASP A 137 8.586 9.641 -5.935 1.00 0.00 C ATOM 776 O ASP A 137 9.217 10.591 -6.420 1.00 0.00 O ATOM 777 CB ASP A 137 7.594 8.331 -7.946 1.00 0.00 C ATOM 778 CG ASP A 137 7.616 9.568 -8.852 1.00 0.00 C ATOM 779 OD1 ASP A 137 6.981 10.579 -8.479 1.00 0.00 O ATOM 780 OD2 ASP A 137 8.256 9.532 -9.926 1.00 0.00 O ATOM 0 H ASP A 137 7.142 6.974 -5.796 1.00 0.00 H new ATOM 0 HA ASP A 137 9.612 8.218 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 137 7.818 7.463 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 137 6.575 8.207 -7.580 1.00 0.00 H new ATOM 785 N GLY A 138 8.024 9.735 -4.725 1.00 0.00 N ATOM 786 CA GLY A 138 7.892 11.029 -4.017 1.00 0.00 C ATOM 787 C GLY A 138 6.669 11.890 -4.501 1.00 0.00 C ATOM 788 O GLY A 138 6.486 13.000 -3.995 1.00 0.00 O ATOM 0 H GLY A 138 7.652 8.937 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 138 7.792 10.840 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 138 8.808 11.604 -4.155 1.00 0.00 H new ATOM 792 N ASN A 139 5.812 11.360 -5.416 1.00 0.00 N ATOM 793 CA ASN A 139 4.565 12.003 -5.894 1.00 0.00 C ATOM 794 C ASN A 139 3.476 11.985 -4.781 1.00 0.00 C ATOM 795 O ASN A 139 2.830 13.022 -4.593 1.00 0.00 O ATOM 796 CB ASN A 139 4.104 11.304 -7.211 1.00 0.00 C ATOM 797 CG ASN A 139 2.628 11.300 -7.628 1.00 0.00 C ATOM 798 OD1 ASN A 139 1.962 10.264 -7.595 1.00 0.00 O ATOM 799 ND2 ASN A 139 2.057 12.419 -7.999 1.00 0.00 N ATOM 0 H ASN A 139 5.977 10.452 -5.850 1.00 0.00 H new ATOM 0 HA ASN A 139 4.745 13.054 -6.121 1.00 0.00 H new ATOM 0 HB2 ASN A 139 4.665 11.759 -8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 139 4.421 10.263 -7.148 1.00 0.00 H new ATOM 0 HD21 ASN A 139 1.070 12.427 -8.257 1.00 0.00 H new ATOM 0 HD22 ASN A 139 2.599 13.282 -8.030 1.00 0.00 H new ATOM 806 N GLY A 140 3.256 10.842 -4.086 1.00 0.00 N ATOM 807 CA GLY A 140 2.218 10.778 -3.039 1.00 0.00 C ATOM 808 C GLY A 140 0.972 9.917 -3.321 1.00 0.00 C ATOM 809 O GLY A 140 0.151 9.868 -2.401 1.00 0.00 O ATOM 0 H GLY A 140 3.772 9.974 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 140 2.684 10.406 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 140 1.884 11.795 -2.834 1.00 0.00 H new ATOM 813 N VAL A 141 0.748 9.302 -4.515 1.00 0.00 N ATOM 814 CA VAL A 141 -0.427 8.394 -4.712 1.00 0.00 C ATOM 815 C VAL A 141 0.150 7.181 -5.497 1.00 0.00 C ATOM 816 O VAL A 141 0.710 7.248 -6.596 1.00 0.00 O ATOM 817 CB VAL A 141 -1.790 9.017 -5.228 1.00 0.00 C ATOM 818 CG1 VAL A 141 -2.006 10.460 -4.757 1.00 0.00 C ATOM 819 CG2 VAL A 141 -2.348 8.931 -6.656 1.00 0.00 C ATOM 0 H VAL A 141 1.344 9.410 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 141 -0.835 8.091 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 141 -2.364 8.224 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -2.956 10.830 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -2.021 10.489 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -1.195 11.088 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -3.303 9.455 -6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -1.645 9.392 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.493 7.885 -6.928 1.00 0.00 H new ATOM 829 N ILE A 142 -0.004 6.070 -4.772 1.00 0.00 N ATOM 830 CA ILE A 142 0.482 4.729 -5.106 1.00 0.00 C ATOM 831 C ILE A 142 -0.502 3.974 -6.016 1.00 0.00 C ATOM 832 O ILE A 142 -1.688 3.871 -5.707 1.00 0.00 O ATOM 833 CB ILE A 142 0.645 3.826 -3.810 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.172 4.493 -2.490 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.528 2.607 -4.115 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.505 3.525 -1.350 1.00 0.00 C ATOM 0 H ILE A 142 -0.502 6.084 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 142 1.438 4.888 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.391 3.570 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.066 5.070 -2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.422 5.200 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.630 1.998 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.069 2.014 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.513 2.943 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 142 1.860 4.088 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.611 2.965 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.281 2.833 -1.676 1.00 0.00 H new ATOM 848 N ASP A 143 0.040 3.409 -7.092 1.00 0.00 N ATOM 849 CA ASP A 143 -0.692 2.501 -7.986 1.00 0.00 C ATOM 850 C ASP A 143 -0.373 1.065 -7.467 1.00 0.00 C ATOM 851 O ASP A 143 0.659 0.787 -6.834 1.00 0.00 O ATOM 852 CB ASP A 143 -0.346 2.759 -9.470 1.00 0.00 C ATOM 853 CG ASP A 143 1.056 2.492 -10.037 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.862 1.742 -9.432 1.00 0.00 O ATOM 855 OD2 ASP A 143 1.333 3.007 -11.141 1.00 0.00 O ATOM 0 H ASP A 143 1.007 3.567 -7.375 1.00 0.00 H new ATOM 0 HA ASP A 143 -1.770 2.659 -7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.043 2.167 -10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.571 3.807 -9.667 1.00 0.00 H new ATOM 860 N ILE A 144 -1.264 0.108 -7.740 1.00 0.00 N ATOM 861 CA ILE A 144 -1.084 -1.291 -7.273 1.00 0.00 C ATOM 862 C ILE A 144 0.314 -1.919 -7.683 1.00 0.00 C ATOM 863 O ILE A 144 0.891 -2.515 -6.773 1.00 0.00 O ATOM 864 CB ILE A 144 -2.239 -2.256 -7.750 1.00 0.00 C ATOM 865 CG1 ILE A 144 -3.618 -1.665 -8.171 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.453 -3.446 -6.773 1.00 0.00 C ATOM 867 CD1 ILE A 144 -4.432 -2.595 -9.086 1.00 0.00 C ATOM 0 H ILE A 144 -2.116 0.264 -8.278 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.119 -1.210 -6.187 1.00 0.00 H new ATOM 0 HB ILE A 144 -1.819 -2.580 -8.702 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.200 -1.449 -7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -3.457 -0.716 -8.682 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.257 -4.081 -7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.534 -4.028 -6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.718 -3.064 -5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -5.379 -2.119 -9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.869 -2.791 -9.999 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.625 -3.536 -8.570 1.00 0.00 H new ATOM 879 N PRO A 145 0.899 -1.821 -8.934 1.00 0.00 N ATOM 880 CA PRO A 145 2.245 -2.368 -9.288 1.00 0.00 C ATOM 881 C PRO A 145 3.411 -2.089 -8.294 1.00 0.00 C ATOM 882 O PRO A 145 4.234 -2.985 -8.095 1.00 0.00 O ATOM 883 CB PRO A 145 2.490 -1.850 -10.716 1.00 0.00 C ATOM 884 CG PRO A 145 1.082 -1.718 -11.298 1.00 0.00 C ATOM 885 CD PRO A 145 0.281 -1.184 -10.112 1.00 0.00 C ATOM 0 HA PRO A 145 2.235 -3.456 -9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 145 3.013 -0.894 -10.711 1.00 0.00 H new ATOM 0 HB3 PRO A 145 3.100 -2.544 -11.295 1.00 0.00 H new ATOM 0 HG2 PRO A 145 1.056 -1.034 -12.146 1.00 0.00 H new ATOM 0 HG3 PRO A 145 0.697 -2.675 -11.649 1.00 0.00 H new ATOM 0 HD2 PRO A 145 0.338 -0.097 -10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -0.774 -1.444 -10.196 1.00 0.00 H new ATOM 893 N GLU A 146 3.479 -0.887 -7.669 1.00 0.00 N ATOM 894 CA GLU A 146 4.506 -0.568 -6.626 1.00 0.00 C ATOM 895 C GLU A 146 4.388 -1.511 -5.375 1.00 0.00 C ATOM 896 O GLU A 146 5.369 -2.157 -5.007 1.00 0.00 O ATOM 897 CB GLU A 146 4.318 0.914 -6.195 1.00 0.00 C ATOM 898 CG GLU A 146 4.722 2.023 -7.191 1.00 0.00 C ATOM 899 CD GLU A 146 4.377 3.399 -6.631 1.00 0.00 C ATOM 900 OE1 GLU A 146 4.991 3.788 -5.615 1.00 0.00 O ATOM 901 OE2 GLU A 146 3.475 4.070 -7.171 1.00 0.00 O ATOM 0 H GLU A 146 2.838 -0.118 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 146 5.498 -0.725 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.266 1.057 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 146 4.886 1.068 -5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 146 5.791 1.965 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 146 4.208 1.871 -8.140 1.00 0.00 H new ATOM 908 N PHE A 147 3.195 -1.578 -4.745 1.00 0.00 N ATOM 909 CA PHE A 147 2.861 -2.476 -3.606 1.00 0.00 C ATOM 910 C PHE A 147 3.078 -4.000 -3.948 1.00 0.00 C ATOM 911 O PHE A 147 3.643 -4.736 -3.123 1.00 0.00 O ATOM 912 CB PHE A 147 1.433 -2.130 -3.117 1.00 0.00 C ATOM 913 CG PHE A 147 0.850 -3.117 -2.094 1.00 0.00 C ATOM 914 CD1 PHE A 147 1.293 -3.165 -0.769 1.00 0.00 C ATOM 915 CD2 PHE A 147 -0.071 -4.065 -2.545 1.00 0.00 C ATOM 916 CE1 PHE A 147 0.780 -4.136 0.092 1.00 0.00 C ATOM 917 CE2 PHE A 147 -0.634 -4.979 -1.657 1.00 0.00 C ATOM 918 CZ PHE A 147 -0.212 -5.012 -0.339 1.00 0.00 C ATOM 0 H PHE A 147 2.408 -0.991 -5.021 1.00 0.00 H new ATOM 0 HA PHE A 147 3.554 -2.303 -2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 147 1.446 -1.134 -2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 147 0.768 -2.087 -3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.027 -2.456 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -0.348 -4.090 -3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.156 -4.208 1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -1.399 -5.661 -1.997 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.651 -5.715 0.353 1.00 0.00 H new ATOM 928 N MET A 148 2.618 -4.471 -5.137 1.00 0.00 N ATOM 929 CA MET A 148 2.836 -5.889 -5.563 1.00 0.00 C ATOM 930 C MET A 148 4.387 -6.180 -5.719 1.00 0.00 C ATOM 931 O MET A 148 4.804 -7.285 -5.367 1.00 0.00 O ATOM 932 CB MET A 148 1.989 -6.379 -6.793 1.00 0.00 C ATOM 933 CG MET A 148 0.811 -5.596 -7.417 1.00 0.00 C ATOM 934 SD MET A 148 -0.237 -6.672 -8.439 1.00 0.00 S ATOM 935 CE MET A 148 -1.493 -7.261 -7.265 1.00 0.00 C ATOM 0 H MET A 148 2.102 -3.905 -5.811 1.00 0.00 H new ATOM 0 HA MET A 148 2.438 -6.502 -4.754 1.00 0.00 H new ATOM 0 HB2 MET A 148 2.701 -6.547 -7.601 1.00 0.00 H new ATOM 0 HB3 MET A 148 1.589 -7.354 -6.514 1.00 0.00 H new ATOM 0 HG2 MET A 148 0.211 -5.148 -6.625 1.00 0.00 H new ATOM 0 HG3 MET A 148 1.198 -4.779 -8.026 1.00 0.00 H new ATOM 0 HE1 MET A 148 -2.365 -7.618 -7.813 1.00 0.00 H new ATOM 0 HE2 MET A 148 -1.081 -8.075 -6.669 1.00 0.00 H new ATOM 0 HE3 MET A 148 -1.788 -6.443 -6.607 1.00 0.00 H new ATOM 945 N ASP A 149 5.230 -5.218 -6.201 1.00 0.00 N ATOM 946 CA ASP A 149 6.724 -5.357 -6.238 1.00 0.00 C ATOM 947 C ASP A 149 7.331 -5.289 -4.778 1.00 0.00 C ATOM 948 O ASP A 149 8.246 -6.057 -4.456 1.00 0.00 O ATOM 949 CB ASP A 149 7.288 -4.273 -7.195 1.00 0.00 C ATOM 950 CG ASP A 149 8.730 -4.515 -7.615 1.00 0.00 C ATOM 951 OD1 ASP A 149 9.632 -4.060 -6.879 1.00 0.00 O ATOM 952 OD2 ASP A 149 8.975 -5.134 -8.669 1.00 0.00 O ATOM 0 H ASP A 149 4.898 -4.328 -6.573 1.00 0.00 H new ATOM 0 HA ASP A 149 7.015 -6.334 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.662 -4.228 -8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.220 -3.300 -6.708 1.00 0.00 H new ATOM 957 N LEU A 150 6.807 -4.385 -3.905 1.00 0.00 N ATOM 958 CA LEU A 150 7.150 -4.262 -2.452 1.00 0.00 C ATOM 959 C LEU A 150 7.034 -5.671 -1.772 1.00 0.00 C ATOM 960 O LEU A 150 7.955 -6.041 -1.046 1.00 0.00 O ATOM 961 CB LEU A 150 6.173 -3.271 -1.705 1.00 0.00 C ATOM 962 CG LEU A 150 6.538 -1.826 -1.267 1.00 0.00 C ATOM 963 CD1 LEU A 150 7.499 -1.747 -0.069 1.00 0.00 C ATOM 964 CD2 LEU A 150 6.911 -0.857 -2.401 1.00 0.00 C ATOM 0 H LEU A 150 6.112 -3.698 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 150 8.166 -3.873 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 150 5.294 -3.178 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 150 5.856 -3.788 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 150 5.582 -1.450 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 150 7.699 -0.702 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 150 7.046 -2.235 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 150 8.434 -2.248 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 150 7.147 0.121 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 150 7.779 -1.241 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 150 6.072 -0.763 -3.090 1.00 0.00 H new ATOM 976 N ILE A 151 5.953 -6.460 -2.027 1.00 0.00 N ATOM 977 CA ILE A 151 5.803 -7.808 -1.428 1.00 0.00 C ATOM 978 C ILE A 151 6.580 -8.901 -2.232 1.00 0.00 C ATOM 979 O ILE A 151 7.494 -9.507 -1.665 1.00 0.00 O ATOM 980 CB ILE A 151 4.284 -8.129 -1.174 1.00 0.00 C ATOM 981 CG1 ILE A 151 3.643 -7.134 -0.156 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.062 -9.589 -0.686 1.00 0.00 C ATOM 983 CD1 ILE A 151 2.166 -7.370 0.177 1.00 0.00 C ATOM 0 H ILE A 151 5.183 -6.186 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 151 6.279 -7.816 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 151 3.790 -8.012 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 151 4.215 -7.176 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 151 3.749 -6.123 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 151 2.998 -9.761 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 151 4.432 -10.285 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 151 4.600 -9.746 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 151 1.830 -6.620 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 151 1.571 -7.295 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 151 2.045 -8.363 0.609 1.00 0.00 H new ATOM 995 N LYS A 152 6.233 -9.166 -3.506 1.00 0.00 N ATOM 996 CA LYS A 152 6.888 -10.238 -4.313 1.00 0.00 C ATOM 997 C LYS A 152 8.414 -10.091 -4.609 1.00 0.00 C ATOM 998 O LYS A 152 9.126 -11.106 -4.555 1.00 0.00 O ATOM 999 CB LYS A 152 6.100 -10.419 -5.652 1.00 0.00 C ATOM 1000 CG LYS A 152 4.602 -10.820 -5.566 1.00 0.00 C ATOM 1001 CD LYS A 152 4.324 -12.333 -5.397 1.00 0.00 C ATOM 1002 CE LYS A 152 2.852 -12.589 -5.014 1.00 0.00 C ATOM 1003 NZ LYS A 152 2.542 -14.042 -4.968 1.00 0.00 N ATOM 0 H LYS A 152 5.504 -8.658 -4.007 1.00 0.00 H new ATOM 0 HA LYS A 152 6.844 -11.120 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 152 6.164 -9.483 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 152 6.615 -11.176 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 152 4.150 -10.290 -4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 152 4.099 -10.475 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.557 -12.854 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 152 4.979 -12.742 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 152 2.646 -12.142 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 152 2.198 -12.100 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 1.641 -14.189 -4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 2.467 -14.412 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 3.301 -14.543 -4.464 1.00 0.00 H new