USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0916 K(o=-0.092,f=-1.5) USER MOD Single : A 111 LYS NZ :NH3+ -139:sc= 1.34 (180deg=-1.12) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -21:sc= -0.529 USER MOD Single : A 131 MET CE :methyl -170:sc= 0 (180deg=-0.235) USER MOD Single : A 132 LYS NZ :NH3+ 146:sc= 1.11 (180deg=-0.634!) USER MOD Single : A 139 ASN : amide:sc= -0.345 K(o=-0.35,f=-3.1!) USER MOD Single : A 148 MET CE :methyl -176:sc= -1.45 (180deg=-1.57) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -2.666 -11.439 0.606 1.00 0.00 N ATOM 32 CA GLU A 89 -2.879 -10.314 1.564 1.00 0.00 C ATOM 33 C GLU A 89 -2.640 -8.892 0.962 1.00 0.00 C ATOM 34 O GLU A 89 -3.397 -7.983 1.300 1.00 0.00 O ATOM 35 CB GLU A 89 -2.111 -10.528 2.895 1.00 0.00 C ATOM 36 CG GLU A 89 -2.552 -9.583 4.059 1.00 0.00 C ATOM 37 CD GLU A 89 -3.996 -9.721 4.548 1.00 0.00 C ATOM 38 OE1 GLU A 89 -4.941 -9.259 3.873 1.00 0.00 O ATOM 39 OE2 GLU A 89 -4.212 -10.363 5.594 1.00 0.00 O ATOM 0 HA GLU A 89 -3.945 -10.339 1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.244 -11.562 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.046 -10.385 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.888 -9.754 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.399 -8.553 3.737 1.00 0.00 H new ATOM 46 N ILE A 90 -1.636 -8.681 0.086 1.00 0.00 N ATOM 47 CA ILE A 90 -1.389 -7.361 -0.558 1.00 0.00 C ATOM 48 C ILE A 90 -2.501 -7.108 -1.624 1.00 0.00 C ATOM 49 O ILE A 90 -2.979 -5.973 -1.636 1.00 0.00 O ATOM 50 CB ILE A 90 0.045 -7.206 -1.154 1.00 0.00 C ATOM 51 CG1 ILE A 90 1.241 -7.268 -0.196 1.00 0.00 C ATOM 52 CG2 ILE A 90 0.219 -5.889 -1.969 1.00 0.00 C ATOM 53 CD1 ILE A 90 1.448 -8.542 0.610 1.00 0.00 C ATOM 0 H ILE A 90 -0.977 -9.407 -0.197 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.439 -6.596 0.216 1.00 0.00 H new ATOM 0 HB ILE A 90 0.080 -8.104 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.145 -7.092 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.149 -6.440 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.235 -5.834 -2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.489 -5.877 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.033 -5.033 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.331 -8.435 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.575 -8.722 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.587 -9.384 -0.069 1.00 0.00 H new ATOM 65 N LEU A 91 -2.901 -8.055 -2.525 1.00 0.00 N ATOM 66 CA LEU A 91 -4.025 -7.772 -3.480 1.00 0.00 C ATOM 67 C LEU A 91 -5.344 -7.441 -2.689 1.00 0.00 C ATOM 68 O LEU A 91 -5.946 -6.393 -2.945 1.00 0.00 O ATOM 69 CB LEU A 91 -4.150 -8.865 -4.580 1.00 0.00 C ATOM 70 CG LEU A 91 -4.528 -10.328 -4.209 1.00 0.00 C ATOM 71 CD1 LEU A 91 -6.048 -10.595 -4.239 1.00 0.00 C ATOM 72 CD2 LEU A 91 -3.825 -11.342 -5.135 1.00 0.00 C ATOM 0 H LEU A 91 -2.485 -8.982 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.800 -6.871 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.892 -8.514 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.195 -8.904 -5.103 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.186 -10.460 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.240 -11.634 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.547 -9.938 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.432 -10.402 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.110 -12.354 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.123 -11.159 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.745 -11.230 -5.044 1.00 0.00 H new ATOM 84 N ARG A 92 -5.707 -8.248 -1.658 1.00 0.00 N ATOM 85 CA ARG A 92 -6.883 -8.004 -0.774 1.00 0.00 C ATOM 86 C ARG A 92 -6.821 -6.604 -0.071 1.00 0.00 C ATOM 87 O ARG A 92 -7.695 -5.748 -0.298 1.00 0.00 O ATOM 88 CB ARG A 92 -6.918 -9.216 0.209 1.00 0.00 C ATOM 89 CG ARG A 92 -7.994 -9.204 1.322 1.00 0.00 C ATOM 90 CD ARG A 92 -8.125 -10.548 2.063 1.00 0.00 C ATOM 91 NE ARG A 92 -7.008 -10.852 3.013 1.00 0.00 N ATOM 92 CZ ARG A 92 -6.856 -12.025 3.634 1.00 0.00 C ATOM 93 NH1 ARG A 92 -7.466 -13.119 3.267 1.00 0.00 N ATOM 94 NH2 ARG A 92 -6.039 -12.117 4.641 1.00 0.00 N ATOM 0 H ARG A 92 -5.190 -9.092 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.815 -7.949 -1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.054 -10.123 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.941 -9.290 0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.752 -8.423 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.957 -8.945 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.065 -10.552 2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.185 -11.349 1.326 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.322 -10.120 3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.098 -13.106 2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.310 -13.986 3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.519 -11.297 4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.918 -13.010 5.120 1.00 0.00 H new ATOM 108 N ALA A 93 -5.738 -6.379 0.708 1.00 0.00 N ATOM 109 CA ALA A 93 -5.505 -5.122 1.441 1.00 0.00 C ATOM 110 C ALA A 93 -5.402 -3.892 0.524 1.00 0.00 C ATOM 111 O ALA A 93 -6.253 -3.027 0.697 1.00 0.00 O ATOM 112 CB ALA A 93 -4.298 -5.244 2.391 1.00 0.00 C ATOM 0 H ALA A 93 -5.000 -7.070 0.844 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.391 -4.953 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.152 -4.301 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.483 -6.038 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.404 -5.480 1.814 1.00 0.00 H new ATOM 118 N PHE A 94 -4.475 -3.817 -0.458 1.00 0.00 N ATOM 119 CA PHE A 94 -4.384 -2.649 -1.387 1.00 0.00 C ATOM 120 C PHE A 94 -5.703 -2.359 -2.130 1.00 0.00 C ATOM 121 O PHE A 94 -6.125 -1.200 -2.141 1.00 0.00 O ATOM 122 CB PHE A 94 -3.260 -2.805 -2.473 1.00 0.00 C ATOM 123 CG PHE A 94 -2.902 -1.530 -3.301 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.826 -0.916 -4.160 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.661 -0.921 -3.131 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.575 0.342 -4.686 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.382 0.328 -3.689 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.368 0.967 -4.452 1.00 0.00 C ATOM 0 H PHE A 94 -3.780 -4.543 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.143 -1.818 -0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.354 -3.154 -1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.565 -3.587 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.742 -1.429 -4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.899 -1.425 -2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.329 0.835 -5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.420 0.795 -3.535 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.183 1.951 -4.858 1.00 0.00 H new ATOM 138 N LYS A 95 -6.316 -3.373 -2.770 1.00 0.00 N ATOM 139 CA LYS A 95 -7.569 -3.151 -3.533 1.00 0.00 C ATOM 140 C LYS A 95 -8.745 -2.668 -2.626 1.00 0.00 C ATOM 141 O LYS A 95 -9.539 -1.872 -3.137 1.00 0.00 O ATOM 142 CB LYS A 95 -7.849 -4.394 -4.422 1.00 0.00 C ATOM 143 CG LYS A 95 -6.723 -4.712 -5.456 1.00 0.00 C ATOM 144 CD LYS A 95 -6.975 -6.009 -6.245 1.00 0.00 C ATOM 145 CE LYS A 95 -5.780 -6.354 -7.155 1.00 0.00 C ATOM 146 NZ LYS A 95 -6.062 -7.614 -7.893 1.00 0.00 N ATOM 0 H LYS A 95 -5.977 -4.335 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.453 -2.311 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.990 -5.262 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.785 -4.239 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.635 -3.880 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.770 -4.792 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.155 -6.830 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.875 -5.900 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.599 -5.541 -7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.875 -6.465 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.255 -7.845 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.214 -8.387 -7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.915 -7.492 -8.475 1.00 0.00 H new ATOM 160 N VAL A 96 -8.873 -3.082 -1.328 1.00 0.00 N ATOM 161 CA VAL A 96 -9.903 -2.463 -0.438 1.00 0.00 C ATOM 162 C VAL A 96 -9.458 -0.986 -0.053 1.00 0.00 C ATOM 163 O VAL A 96 -10.274 -0.063 -0.090 1.00 0.00 O ATOM 164 CB VAL A 96 -10.247 -3.380 0.786 1.00 0.00 C ATOM 165 CG1 VAL A 96 -9.504 -3.096 2.105 1.00 0.00 C ATOM 166 CG2 VAL A 96 -11.737 -3.267 1.108 1.00 0.00 C ATOM 0 H VAL A 96 -8.304 -3.808 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.846 -2.375 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.928 -4.367 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.835 -3.801 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.431 -3.207 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.720 -2.079 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.975 -3.905 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.979 -2.232 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.321 -3.583 0.244 1.00 0.00 H new ATOM 176 N PHE A 97 -8.159 -0.812 0.303 1.00 0.00 N ATOM 177 CA PHE A 97 -7.488 0.472 0.661 1.00 0.00 C ATOM 178 C PHE A 97 -7.673 1.631 -0.378 1.00 0.00 C ATOM 179 O PHE A 97 -7.770 2.793 0.022 1.00 0.00 O ATOM 180 CB PHE A 97 -5.983 0.150 0.910 1.00 0.00 C ATOM 181 CG PHE A 97 -5.225 0.991 1.936 1.00 0.00 C ATOM 182 CD1 PHE A 97 -4.913 2.315 1.642 1.00 0.00 C ATOM 183 CD2 PHE A 97 -4.728 0.411 3.113 1.00 0.00 C ATOM 184 CE1 PHE A 97 -4.118 3.051 2.502 1.00 0.00 C ATOM 185 CE2 PHE A 97 -3.940 1.158 3.985 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.636 2.481 3.679 1.00 0.00 C ATOM 0 H PHE A 97 -7.516 -1.602 0.352 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.967 0.867 1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.912 -0.893 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.462 0.238 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.293 2.770 0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.957 -0.619 3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.869 4.074 2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.566 0.712 4.895 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.027 3.066 4.353 1.00 0.00 H new ATOM 196 N ASP A 98 -7.706 1.296 -1.691 1.00 0.00 N ATOM 197 CA ASP A 98 -7.933 2.223 -2.826 1.00 0.00 C ATOM 198 C ASP A 98 -9.419 2.738 -2.722 1.00 0.00 C ATOM 199 O ASP A 98 -10.372 2.052 -3.114 1.00 0.00 O ATOM 200 CB ASP A 98 -7.481 1.399 -4.088 1.00 0.00 C ATOM 201 CG ASP A 98 -8.093 1.708 -5.455 1.00 0.00 C ATOM 202 OD1 ASP A 98 -8.391 2.884 -5.766 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.245 0.758 -6.243 1.00 0.00 O ATOM 0 H ASP A 98 -7.570 0.334 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.365 3.153 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.401 1.513 -4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.673 0.347 -3.876 1.00 0.00 H new ATOM 208 N ALA A 99 -9.589 3.937 -2.112 1.00 0.00 N ATOM 209 CA ALA A 99 -10.929 4.560 -1.880 1.00 0.00 C ATOM 210 C ALA A 99 -11.718 4.934 -3.165 1.00 0.00 C ATOM 211 O ALA A 99 -12.892 4.576 -3.289 1.00 0.00 O ATOM 212 CB ALA A 99 -10.786 5.774 -0.939 1.00 0.00 C ATOM 0 H ALA A 99 -8.812 4.501 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.537 3.787 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.765 6.224 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.371 5.448 0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.121 6.509 -1.392 1.00 0.00 H new ATOM 218 N ASN A 100 -11.064 5.641 -4.105 1.00 0.00 N ATOM 219 CA ASN A 100 -11.656 6.049 -5.409 1.00 0.00 C ATOM 220 C ASN A 100 -12.092 4.892 -6.379 1.00 0.00 C ATOM 221 O ASN A 100 -12.963 5.137 -7.219 1.00 0.00 O ATOM 222 CB ASN A 100 -10.702 7.052 -6.128 1.00 0.00 C ATOM 223 CG ASN A 100 -9.200 6.647 -6.263 1.00 0.00 C ATOM 224 OD1 ASN A 100 -8.864 5.877 -7.158 1.00 0.00 O ATOM 225 ND2 ASN A 100 -8.264 7.074 -5.413 1.00 0.00 N ATOM 0 H ASN A 100 -10.100 5.952 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.602 6.524 -5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.094 7.230 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.748 8.001 -5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.299 6.760 -5.517 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.513 7.714 -4.659 1.00 0.00 H new ATOM 232 N GLY A 101 -11.521 3.672 -6.280 1.00 0.00 N ATOM 233 CA GLY A 101 -11.892 2.532 -7.158 1.00 0.00 C ATOM 234 C GLY A 101 -11.291 2.413 -8.583 1.00 0.00 C ATOM 235 O GLY A 101 -11.730 1.530 -9.324 1.00 0.00 O ATOM 0 H GLY A 101 -10.797 3.447 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.638 1.617 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.977 2.547 -7.266 1.00 0.00 H new ATOM 239 N ASP A 102 -10.310 3.253 -8.968 1.00 0.00 N ATOM 240 CA ASP A 102 -9.613 3.182 -10.283 1.00 0.00 C ATOM 241 C ASP A 102 -8.236 2.417 -10.282 1.00 0.00 C ATOM 242 O ASP A 102 -7.713 2.100 -11.358 1.00 0.00 O ATOM 243 CB ASP A 102 -9.476 4.622 -10.863 1.00 0.00 C ATOM 244 CG ASP A 102 -8.542 5.631 -10.171 1.00 0.00 C ATOM 245 OD1 ASP A 102 -7.496 5.236 -9.608 1.00 0.00 O ATOM 246 OD2 ASP A 102 -8.862 6.839 -10.204 1.00 0.00 O ATOM 0 H ASP A 102 -9.970 4.010 -8.374 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.239 2.567 -10.930 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.146 4.528 -11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.473 5.062 -10.885 1.00 0.00 H new ATOM 251 N GLY A 103 -7.692 2.102 -9.091 1.00 0.00 N ATOM 252 CA GLY A 103 -6.389 1.452 -8.894 1.00 0.00 C ATOM 253 C GLY A 103 -5.306 2.358 -8.249 1.00 0.00 C ATOM 254 O GLY A 103 -4.136 1.990 -8.361 1.00 0.00 O ATOM 0 H GLY A 103 -8.167 2.302 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.528 0.572 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.023 1.101 -9.859 1.00 0.00 H new ATOM 258 N VAL A 104 -5.654 3.492 -7.575 1.00 0.00 N ATOM 259 CA VAL A 104 -4.665 4.394 -6.928 1.00 0.00 C ATOM 260 C VAL A 104 -5.074 4.746 -5.460 1.00 0.00 C ATOM 261 O VAL A 104 -6.240 4.747 -5.059 1.00 0.00 O ATOM 262 CB VAL A 104 -4.353 5.666 -7.819 1.00 0.00 C ATOM 263 CG1 VAL A 104 -5.064 6.997 -7.479 1.00 0.00 C ATOM 264 CG2 VAL A 104 -2.860 5.871 -8.133 1.00 0.00 C ATOM 0 H VAL A 104 -6.620 3.801 -7.468 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.723 3.850 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.852 5.363 -8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.745 7.769 -8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.143 6.863 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.806 7.298 -6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.736 6.763 -8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.306 5.991 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.479 5.004 -8.673 1.00 0.00 H new ATOM 274 N ILE A 105 -4.022 5.076 -4.704 1.00 0.00 N ATOM 275 CA ILE A 105 -4.092 5.495 -3.276 1.00 0.00 C ATOM 276 C ILE A 105 -3.354 6.853 -3.132 1.00 0.00 C ATOM 277 O ILE A 105 -2.168 6.953 -3.443 1.00 0.00 O ATOM 278 CB ILE A 105 -3.454 4.497 -2.242 1.00 0.00 C ATOM 279 CG1 ILE A 105 -4.134 3.106 -2.230 1.00 0.00 C ATOM 280 CG2 ILE A 105 -3.467 5.043 -0.777 1.00 0.00 C ATOM 281 CD1 ILE A 105 -3.287 2.058 -1.500 1.00 0.00 C ATOM 0 H ILE A 105 -3.068 5.063 -5.065 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.155 5.542 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.426 4.394 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.109 3.183 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.310 2.780 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.013 4.309 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.901 5.974 -0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.495 5.228 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.803 1.098 -1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.322 1.960 -1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.133 2.370 -0.467 1.00 0.00 H new ATOM 293 N ASP A 106 -4.037 7.847 -2.545 1.00 0.00 N ATOM 294 CA ASP A 106 -3.451 9.185 -2.263 1.00 0.00 C ATOM 295 C ASP A 106 -3.160 9.352 -0.721 1.00 0.00 C ATOM 296 O ASP A 106 -3.398 8.446 0.092 1.00 0.00 O ATOM 297 CB ASP A 106 -4.367 10.238 -2.924 1.00 0.00 C ATOM 298 CG ASP A 106 -3.767 11.634 -3.068 1.00 0.00 C ATOM 299 OD1 ASP A 106 -2.910 11.831 -3.955 1.00 0.00 O ATOM 300 OD2 ASP A 106 -4.131 12.528 -2.276 1.00 0.00 O ATOM 0 H ASP A 106 -5.009 7.756 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.464 9.322 -2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.649 9.879 -3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.284 10.314 -2.340 1.00 0.00 H new ATOM 305 N PHE A 107 -2.606 10.514 -0.317 1.00 0.00 N ATOM 306 CA PHE A 107 -2.254 10.792 1.104 1.00 0.00 C ATOM 307 C PHE A 107 -3.465 10.978 2.058 1.00 0.00 C ATOM 308 O PHE A 107 -3.397 10.442 3.166 1.00 0.00 O ATOM 309 CB PHE A 107 -1.224 11.952 1.217 1.00 0.00 C ATOM 310 CG PHE A 107 -0.302 11.810 2.452 1.00 0.00 C ATOM 311 CD1 PHE A 107 0.832 10.989 2.386 1.00 0.00 C ATOM 312 CD2 PHE A 107 -0.654 12.387 3.680 1.00 0.00 C ATOM 313 CE1 PHE A 107 1.572 10.718 3.533 1.00 0.00 C ATOM 314 CE2 PHE A 107 0.096 12.122 4.824 1.00 0.00 C ATOM 315 CZ PHE A 107 1.205 11.283 4.750 1.00 0.00 C ATOM 0 H PHE A 107 -2.389 11.282 -0.953 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.778 9.879 1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.614 11.981 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.756 12.902 1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 107 1.133 10.564 1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.512 13.041 3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 107 2.433 10.068 3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.183 12.567 5.768 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.781 11.071 5.639 1.00 0.00 H new ATOM 325 N ASP A 108 -4.541 11.701 1.671 1.00 0.00 N ATOM 326 CA ASP A 108 -5.750 11.851 2.554 1.00 0.00 C ATOM 327 C ASP A 108 -6.449 10.485 2.914 1.00 0.00 C ATOM 328 O ASP A 108 -6.759 10.238 4.093 1.00 0.00 O ATOM 329 CB ASP A 108 -6.799 12.877 2.016 1.00 0.00 C ATOM 330 CG ASP A 108 -6.563 14.294 2.522 1.00 0.00 C ATOM 331 OD1 ASP A 108 -6.853 14.530 3.719 1.00 0.00 O ATOM 332 OD2 ASP A 108 -6.091 15.161 1.764 1.00 0.00 O ATOM 0 H ASP A 108 -4.610 12.185 0.776 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.341 12.259 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.772 12.878 0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.798 12.554 2.310 1.00 0.00 H new ATOM 337 N GLU A 109 -6.643 9.605 1.915 1.00 0.00 N ATOM 338 CA GLU A 109 -7.242 8.254 2.102 1.00 0.00 C ATOM 339 C GLU A 109 -6.361 7.340 3.015 1.00 0.00 C ATOM 340 O GLU A 109 -6.895 6.716 3.940 1.00 0.00 O ATOM 341 CB GLU A 109 -7.549 7.616 0.716 1.00 0.00 C ATOM 342 CG GLU A 109 -8.365 8.468 -0.298 1.00 0.00 C ATOM 343 CD GLU A 109 -9.628 9.150 0.233 1.00 0.00 C ATOM 344 OE1 GLU A 109 -10.513 8.456 0.778 1.00 0.00 O ATOM 345 OE2 GLU A 109 -9.738 10.385 0.093 1.00 0.00 O ATOM 0 H GLU A 109 -6.390 9.804 0.947 1.00 0.00 H new ATOM 0 HA GLU A 109 -8.187 8.362 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.600 7.353 0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -8.090 6.685 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.707 9.238 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.651 7.824 -1.130 1.00 0.00 H new ATOM 352 N PHE A 110 -5.024 7.295 2.774 1.00 0.00 N ATOM 353 CA PHE A 110 -4.073 6.534 3.614 1.00 0.00 C ATOM 354 C PHE A 110 -4.047 7.084 5.057 1.00 0.00 C ATOM 355 O PHE A 110 -4.226 6.279 5.962 1.00 0.00 O ATOM 356 CB PHE A 110 -2.669 6.538 2.920 1.00 0.00 C ATOM 357 CG PHE A 110 -1.610 5.507 3.380 1.00 0.00 C ATOM 358 CD1 PHE A 110 -1.073 5.542 4.674 1.00 0.00 C ATOM 359 CD2 PHE A 110 -1.124 4.548 2.477 1.00 0.00 C ATOM 360 CE1 PHE A 110 -0.126 4.604 5.075 1.00 0.00 C ATOM 361 CE2 PHE A 110 -0.171 3.615 2.878 1.00 0.00 C ATOM 362 CZ PHE A 110 0.320 3.638 4.178 1.00 0.00 C ATOM 0 H PHE A 110 -4.582 7.784 1.996 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.395 5.496 3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.828 6.394 1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.240 7.532 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.397 6.304 5.367 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.493 4.534 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.263 4.626 6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.186 2.874 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 110 1.049 2.905 4.492 1.00 0.00 H new ATOM 372 N LYS A 111 -3.875 8.404 5.302 1.00 0.00 N ATOM 373 CA LYS A 111 -3.891 8.958 6.687 1.00 0.00 C ATOM 374 C LYS A 111 -5.215 8.680 7.478 1.00 0.00 C ATOM 375 O LYS A 111 -5.154 8.369 8.672 1.00 0.00 O ATOM 376 CB LYS A 111 -3.453 10.441 6.625 1.00 0.00 C ATOM 377 CG LYS A 111 -4.416 11.545 6.140 1.00 0.00 C ATOM 378 CD LYS A 111 -5.365 12.121 7.224 1.00 0.00 C ATOM 379 CE LYS A 111 -6.235 13.296 6.748 1.00 0.00 C ATOM 380 NZ LYS A 111 -7.228 12.900 5.715 1.00 0.00 N ATOM 0 H LYS A 111 -3.725 9.102 4.573 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.166 8.419 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.132 10.719 7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.572 10.485 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.826 12.363 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.021 11.145 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -6.017 11.323 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.768 12.448 8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.759 13.723 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.591 14.078 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.277 13.635 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.940 11.999 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.163 12.789 6.157 1.00 0.00 H new ATOM 394 N PHE A 112 -6.383 8.777 6.803 1.00 0.00 N ATOM 395 CA PHE A 112 -7.703 8.457 7.403 1.00 0.00 C ATOM 396 C PHE A 112 -7.839 6.933 7.775 1.00 0.00 C ATOM 397 O PHE A 112 -8.248 6.617 8.896 1.00 0.00 O ATOM 398 CB PHE A 112 -8.803 8.958 6.403 1.00 0.00 C ATOM 399 CG PHE A 112 -10.235 8.438 6.640 1.00 0.00 C ATOM 400 CD1 PHE A 112 -10.981 8.901 7.727 1.00 0.00 C ATOM 401 CD2 PHE A 112 -10.743 7.403 5.845 1.00 0.00 C ATOM 402 CE1 PHE A 112 -12.225 8.339 8.014 1.00 0.00 C ATOM 403 CE2 PHE A 112 -11.985 6.843 6.136 1.00 0.00 C ATOM 404 CZ PHE A 112 -12.721 7.307 7.224 1.00 0.00 C ATOM 0 H PHE A 112 -6.440 9.078 5.830 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.823 8.970 8.357 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.825 10.047 6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -8.501 8.677 5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.593 9.696 8.347 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -10.171 7.038 5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -12.803 8.705 8.850 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -12.377 6.049 5.518 1.00 0.00 H new ATOM 0 HZ PHE A 112 -13.679 6.865 7.455 1.00 0.00 H new ATOM 414 N ILE A 113 -7.506 6.028 6.835 1.00 0.00 N ATOM 415 CA ILE A 113 -7.626 4.546 7.012 1.00 0.00 C ATOM 416 C ILE A 113 -6.517 3.793 7.818 1.00 0.00 C ATOM 417 O ILE A 113 -6.802 2.774 8.453 1.00 0.00 O ATOM 418 CB ILE A 113 -7.870 3.982 5.554 1.00 0.00 C ATOM 419 CG1 ILE A 113 -9.032 2.956 5.495 1.00 0.00 C ATOM 420 CG2 ILE A 113 -6.628 3.439 4.848 1.00 0.00 C ATOM 421 CD1 ILE A 113 -9.641 2.766 4.094 1.00 0.00 C ATOM 0 H ILE A 113 -7.142 6.295 5.920 1.00 0.00 H new ATOM 0 HA ILE A 113 -8.452 4.348 7.695 1.00 0.00 H new ATOM 0 HB ILE A 113 -8.162 4.867 4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.669 1.993 5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -9.818 3.275 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.902 3.077 3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.887 4.233 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.208 2.619 5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.446 2.032 4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -10.038 3.717 3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -8.871 2.414 3.407 1.00 0.00 H new ATOM 433 N MET A 114 -5.273 4.284 7.738 1.00 0.00 N ATOM 434 CA MET A 114 -4.072 3.719 8.410 1.00 0.00 C ATOM 435 C MET A 114 -4.227 3.511 9.934 1.00 0.00 C ATOM 436 O MET A 114 -3.969 2.404 10.417 1.00 0.00 O ATOM 437 CB MET A 114 -2.880 4.670 8.095 1.00 0.00 C ATOM 438 CG MET A 114 -1.540 4.355 8.754 1.00 0.00 C ATOM 439 SD MET A 114 -0.748 2.947 7.953 1.00 0.00 S ATOM 440 CE MET A 114 0.485 2.532 9.197 1.00 0.00 C ATOM 0 H MET A 114 -5.057 5.115 7.187 1.00 0.00 H new ATOM 0 HA MET A 114 -3.905 2.715 8.021 1.00 0.00 H new ATOM 0 HB2 MET A 114 -2.731 4.678 7.015 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.169 5.680 8.384 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.888 5.226 8.696 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.691 4.140 9.812 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.068 1.675 8.860 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.147 3.384 9.351 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.013 2.285 10.135 1.00 0.00 H new ATOM 575 N THR A 123 1.105 8.957 15.998 1.00 0.00 N ATOM 576 CA THR A 123 2.590 8.975 16.021 1.00 0.00 C ATOM 577 C THR A 123 2.878 8.982 14.491 1.00 0.00 C ATOM 578 O THR A 123 2.599 8.040 13.739 1.00 0.00 O ATOM 579 CB THR A 123 3.395 7.850 16.685 1.00 0.00 C ATOM 580 OG1 THR A 123 2.893 6.567 16.355 1.00 0.00 O ATOM 581 CG2 THR A 123 3.440 7.958 18.214 1.00 0.00 C ATOM 0 HA THR A 123 2.914 9.802 16.652 1.00 0.00 H new ATOM 0 HB THR A 123 4.404 7.971 16.291 1.00 0.00 H new ATOM 0 HG1 THR A 123 1.964 6.647 16.052 1.00 0.00 H new ATOM 0 HG21 THR A 123 4.024 7.132 18.620 1.00 0.00 H new ATOM 0 HG22 THR A 123 3.901 8.904 18.499 1.00 0.00 H new ATOM 0 HG23 THR A 123 2.426 7.915 18.612 1.00 0.00 H new ATOM 589 N ASP A 124 3.424 10.123 14.089 1.00 0.00 N ATOM 590 CA ASP A 124 3.807 10.438 12.689 1.00 0.00 C ATOM 591 C ASP A 124 4.726 9.460 11.941 1.00 0.00 C ATOM 592 O ASP A 124 4.536 9.218 10.742 1.00 0.00 O ATOM 593 CB ASP A 124 4.415 11.863 12.714 1.00 0.00 C ATOM 594 CG ASP A 124 5.695 12.112 13.530 1.00 0.00 C ATOM 595 OD1 ASP A 124 5.609 12.191 14.776 1.00 0.00 O ATOM 596 OD2 ASP A 124 6.785 12.197 12.929 1.00 0.00 O ATOM 0 H ASP A 124 3.625 10.887 14.735 1.00 0.00 H new ATOM 0 HA ASP A 124 2.894 10.349 12.101 1.00 0.00 H new ATOM 0 HB2 ASP A 124 4.620 12.152 11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 124 3.649 12.542 13.088 1.00 0.00 H new ATOM 601 N ALA A 125 5.697 8.916 12.681 1.00 0.00 N ATOM 602 CA ALA A 125 6.647 7.928 12.146 1.00 0.00 C ATOM 603 C ALA A 125 5.970 6.649 11.605 1.00 0.00 C ATOM 604 O ALA A 125 6.357 6.229 10.512 1.00 0.00 O ATOM 605 CB ALA A 125 7.710 7.635 13.211 1.00 0.00 C ATOM 0 H ALA A 125 5.849 9.145 13.663 1.00 0.00 H new ATOM 0 HA ALA A 125 7.131 8.358 11.269 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.420 6.903 12.825 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.238 8.555 13.461 1.00 0.00 H new ATOM 0 HB3 ALA A 125 7.229 7.238 14.105 1.00 0.00 H new ATOM 611 N GLU A 126 4.944 6.072 12.292 1.00 0.00 N ATOM 612 CA GLU A 126 4.221 4.881 11.772 1.00 0.00 C ATOM 613 C GLU A 126 3.636 5.110 10.330 1.00 0.00 C ATOM 614 O GLU A 126 3.973 4.380 9.389 1.00 0.00 O ATOM 615 CB GLU A 126 3.079 4.545 12.778 1.00 0.00 C ATOM 616 CG GLU A 126 3.467 4.275 14.251 1.00 0.00 C ATOM 617 CD GLU A 126 3.558 2.818 14.677 1.00 0.00 C ATOM 618 OE1 GLU A 126 2.508 2.221 15.001 1.00 0.00 O ATOM 619 OE2 GLU A 126 4.679 2.273 14.705 1.00 0.00 O ATOM 0 H GLU A 126 4.605 6.408 13.193 1.00 0.00 H new ATOM 0 HA GLU A 126 4.923 4.052 11.683 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.369 5.372 12.766 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.552 3.667 12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.432 4.746 14.441 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.738 4.772 14.891 1.00 0.00 H new ATOM 626 N VAL A 127 2.852 6.202 10.165 1.00 0.00 N ATOM 627 CA VAL A 127 2.189 6.555 8.891 1.00 0.00 C ATOM 628 C VAL A 127 3.154 7.109 7.817 1.00 0.00 C ATOM 629 O VAL A 127 3.121 6.579 6.700 1.00 0.00 O ATOM 630 CB VAL A 127 0.986 7.540 9.128 1.00 0.00 C ATOM 631 CG1 VAL A 127 0.140 7.738 7.848 1.00 0.00 C ATOM 632 CG2 VAL A 127 0.081 7.178 10.328 1.00 0.00 C ATOM 0 H VAL A 127 2.662 6.865 10.917 1.00 0.00 H new ATOM 0 HA VAL A 127 1.803 5.617 8.492 1.00 0.00 H new ATOM 0 HB VAL A 127 1.460 8.486 9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.680 8.425 8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.767 8.150 7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -0.264 6.778 7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.720 7.912 10.414 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -0.349 6.188 10.174 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.673 7.178 11.243 1.00 0.00 H new ATOM 642 N GLU A 128 3.961 8.160 8.106 1.00 0.00 N ATOM 643 CA GLU A 128 4.889 8.721 7.086 1.00 0.00 C ATOM 644 C GLU A 128 5.991 7.699 6.652 1.00 0.00 C ATOM 645 O GLU A 128 6.245 7.584 5.447 1.00 0.00 O ATOM 646 CB GLU A 128 5.391 10.095 7.606 1.00 0.00 C ATOM 647 CG GLU A 128 6.086 11.029 6.579 1.00 0.00 C ATOM 648 CD GLU A 128 5.215 11.664 5.507 1.00 0.00 C ATOM 649 OE1 GLU A 128 4.521 10.932 4.772 1.00 0.00 O ATOM 650 OE2 GLU A 128 5.304 12.888 5.291 1.00 0.00 O ATOM 0 H GLU A 128 3.991 8.628 9.012 1.00 0.00 H new ATOM 0 HA GLU A 128 4.375 8.905 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.539 10.629 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.088 9.913 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.577 11.830 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.870 10.458 6.081 1.00 0.00 H new ATOM 657 N GLU A 129 6.589 6.905 7.583 1.00 0.00 N ATOM 658 CA GLU A 129 7.577 5.866 7.201 1.00 0.00 C ATOM 659 C GLU A 129 6.887 4.679 6.431 1.00 0.00 C ATOM 660 O GLU A 129 7.421 4.276 5.386 1.00 0.00 O ATOM 661 CB GLU A 129 8.438 5.424 8.416 1.00 0.00 C ATOM 662 CG GLU A 129 9.866 4.964 8.014 1.00 0.00 C ATOM 663 CD GLU A 129 10.802 6.096 7.598 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.832 6.441 6.398 1.00 0.00 O ATOM 665 OE2 GLU A 129 11.509 6.634 8.474 1.00 0.00 O ATOM 0 H GLU A 129 6.406 6.965 8.585 1.00 0.00 H new ATOM 0 HA GLU A 129 8.283 6.301 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.514 6.252 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.933 4.609 8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.312 4.431 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.787 4.254 7.191 1.00 0.00 H new ATOM 672 N ALA A 130 5.697 4.157 6.873 1.00 0.00 N ATOM 673 CA ALA A 130 4.994 3.080 6.118 1.00 0.00 C ATOM 674 C ALA A 130 4.574 3.510 4.682 1.00 0.00 C ATOM 675 O ALA A 130 4.854 2.749 3.740 1.00 0.00 O ATOM 676 CB ALA A 130 3.792 2.538 6.915 1.00 0.00 C ATOM 0 H ALA A 130 5.221 4.458 7.724 1.00 0.00 H new ATOM 0 HA ALA A 130 5.716 2.273 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 130 3.298 1.754 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.139 2.129 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.087 3.347 7.105 1.00 0.00 H new ATOM 682 N MET A 131 3.963 4.709 4.485 1.00 0.00 N ATOM 683 CA MET A 131 3.603 5.167 3.123 1.00 0.00 C ATOM 684 C MET A 131 4.849 5.530 2.295 1.00 0.00 C ATOM 685 O MET A 131 4.789 5.218 1.112 1.00 0.00 O ATOM 686 CB MET A 131 2.565 6.319 3.115 1.00 0.00 C ATOM 687 CG MET A 131 1.887 6.427 1.743 1.00 0.00 C ATOM 688 SD MET A 131 0.644 7.719 1.664 1.00 0.00 S ATOM 689 CE MET A 131 0.169 7.454 -0.055 1.00 0.00 C ATOM 0 H MET A 131 3.716 5.358 5.232 1.00 0.00 H new ATOM 0 HA MET A 131 3.117 4.317 2.645 1.00 0.00 H new ATOM 0 HB2 MET A 131 1.814 6.144 3.885 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.057 7.261 3.358 1.00 0.00 H new ATOM 0 HG2 MET A 131 2.646 6.616 0.984 1.00 0.00 H new ATOM 0 HG3 MET A 131 1.423 5.471 1.498 1.00 0.00 H new ATOM 0 HE1 MET A 131 -0.476 8.269 -0.384 1.00 0.00 H new ATOM 0 HE2 MET A 131 1.062 7.424 -0.679 1.00 0.00 H new ATOM 0 HE3 MET A 131 -0.367 6.509 -0.143 1.00 0.00 H new ATOM 699 N LYS A 132 5.931 6.167 2.797 1.00 0.00 N ATOM 700 CA LYS A 132 7.136 6.377 1.940 1.00 0.00 C ATOM 701 C LYS A 132 7.806 5.011 1.538 1.00 0.00 C ATOM 702 O LYS A 132 8.287 4.938 0.408 1.00 0.00 O ATOM 703 CB LYS A 132 8.106 7.386 2.574 1.00 0.00 C ATOM 704 CG LYS A 132 7.968 8.870 2.143 1.00 0.00 C ATOM 705 CD LYS A 132 6.598 9.499 2.470 1.00 0.00 C ATOM 706 CE LYS A 132 6.517 10.967 2.024 1.00 0.00 C ATOM 707 NZ LYS A 132 5.173 11.516 2.336 1.00 0.00 N ATOM 0 H LYS A 132 6.004 6.533 3.746 1.00 0.00 H new ATOM 0 HA LYS A 132 6.815 6.829 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 132 7.986 7.336 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 132 9.123 7.063 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 132 8.749 9.453 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 132 8.141 8.942 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 132 5.810 8.927 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 132 6.417 9.436 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 132 7.285 11.553 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.711 11.042 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 5.259 12.521 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 4.557 11.420 1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 4.761 10.992 3.134 1.00 0.00 H new ATOM 721 N GLU A 133 7.835 3.948 2.394 1.00 0.00 N ATOM 722 CA GLU A 133 8.327 2.599 1.973 1.00 0.00 C ATOM 723 C GLU A 133 7.390 2.041 0.831 1.00 0.00 C ATOM 724 O GLU A 133 7.904 1.625 -0.210 1.00 0.00 O ATOM 725 CB GLU A 133 8.452 1.689 3.233 1.00 0.00 C ATOM 726 CG GLU A 133 8.671 0.154 3.059 1.00 0.00 C ATOM 727 CD GLU A 133 9.932 -0.379 2.384 1.00 0.00 C ATOM 728 OE1 GLU A 133 10.266 0.017 1.252 1.00 0.00 O ATOM 729 OE2 GLU A 133 10.563 -1.298 2.944 1.00 0.00 O ATOM 0 H GLU A 133 7.529 3.996 3.366 1.00 0.00 H new ATOM 0 HA GLU A 133 9.326 2.641 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.281 2.071 3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.546 1.824 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 133 8.626 -0.292 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 133 7.819 -0.231 2.498 1.00 0.00 H new ATOM 736 N ALA A 134 6.036 2.079 0.996 1.00 0.00 N ATOM 737 CA ALA A 134 5.082 1.630 -0.058 1.00 0.00 C ATOM 738 C ALA A 134 4.995 2.537 -1.343 1.00 0.00 C ATOM 739 O ALA A 134 4.690 2.019 -2.421 1.00 0.00 O ATOM 740 CB ALA A 134 3.719 1.352 0.575 1.00 0.00 C ATOM 0 H ALA A 134 5.584 2.415 1.846 1.00 0.00 H new ATOM 0 HA ALA A 134 5.491 0.705 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 134 3.021 1.024 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.821 0.572 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.342 2.262 1.042 1.00 0.00 H new ATOM 746 N ASP A 135 5.324 3.857 -1.279 1.00 0.00 N ATOM 747 CA ASP A 135 5.451 4.741 -2.470 1.00 0.00 C ATOM 748 C ASP A 135 6.966 4.589 -2.866 1.00 0.00 C ATOM 749 O ASP A 135 7.841 5.241 -2.283 1.00 0.00 O ATOM 750 CB ASP A 135 5.152 6.251 -2.249 1.00 0.00 C ATOM 751 CG ASP A 135 5.596 7.169 -3.439 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.731 6.797 -4.593 1.00 0.00 O ATOM 753 OD2 ASP A 135 5.716 8.419 -3.129 1.00 0.00 O ATOM 0 H ASP A 135 5.509 4.338 -0.398 1.00 0.00 H new ATOM 0 HA ASP A 135 4.713 4.439 -3.213 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.082 6.379 -2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 135 5.656 6.582 -1.341 1.00 0.00 H new ATOM 758 N GLU A 136 7.285 3.780 -3.874 1.00 0.00 N ATOM 759 CA GLU A 136 8.702 3.614 -4.320 1.00 0.00 C ATOM 760 C GLU A 136 9.318 4.839 -5.104 1.00 0.00 C ATOM 761 O GLU A 136 10.544 4.893 -5.247 1.00 0.00 O ATOM 762 CB GLU A 136 8.862 2.258 -5.057 1.00 0.00 C ATOM 763 CG GLU A 136 8.532 1.022 -4.165 1.00 0.00 C ATOM 764 CD GLU A 136 9.457 -0.202 -4.229 1.00 0.00 C ATOM 765 OE1 GLU A 136 9.585 -0.814 -5.308 1.00 0.00 O ATOM 766 OE2 GLU A 136 10.040 -0.587 -3.185 1.00 0.00 O ATOM 0 H GLU A 136 6.608 3.229 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 136 9.312 3.597 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.211 2.250 -5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.886 2.170 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.503 1.360 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.526 0.690 -4.420 1.00 0.00 H new ATOM 773 N ASP A 137 8.505 5.792 -5.626 1.00 0.00 N ATOM 774 CA ASP A 137 9.020 6.928 -6.463 1.00 0.00 C ATOM 775 C ASP A 137 9.252 8.321 -5.791 1.00 0.00 C ATOM 776 O ASP A 137 9.999 9.137 -6.349 1.00 0.00 O ATOM 777 CB ASP A 137 8.041 6.999 -7.675 1.00 0.00 C ATOM 778 CG ASP A 137 8.180 8.181 -8.644 1.00 0.00 C ATOM 779 OD1 ASP A 137 7.678 9.277 -8.305 1.00 0.00 O ATOM 780 OD2 ASP A 137 8.785 8.022 -9.727 1.00 0.00 O ATOM 0 H ASP A 137 7.494 5.805 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 137 10.053 6.702 -6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.154 6.080 -8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 137 7.024 7.006 -7.283 1.00 0.00 H new ATOM 785 N GLY A 138 8.733 8.587 -4.584 1.00 0.00 N ATOM 786 CA GLY A 138 8.803 9.930 -3.957 1.00 0.00 C ATOM 787 C GLY A 138 7.707 10.947 -4.435 1.00 0.00 C ATOM 788 O GLY A 138 7.729 12.099 -3.996 1.00 0.00 O ATOM 0 H GLY A 138 8.255 7.890 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 138 8.722 9.814 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 138 9.785 10.357 -4.159 1.00 0.00 H new ATOM 792 N ASN A 139 6.728 10.510 -5.265 1.00 0.00 N ATOM 793 CA ASN A 139 5.575 11.320 -5.740 1.00 0.00 C ATOM 794 C ASN A 139 4.484 11.499 -4.635 1.00 0.00 C ATOM 795 O ASN A 139 4.018 12.627 -4.444 1.00 0.00 O ATOM 796 CB ASN A 139 5.041 10.640 -7.044 1.00 0.00 C ATOM 797 CG ASN A 139 3.623 10.962 -7.616 1.00 0.00 C ATOM 798 OD1 ASN A 139 2.834 11.688 -7.011 1.00 0.00 O ATOM 799 ND2 ASN A 139 3.196 10.423 -8.760 1.00 0.00 N ATOM 0 H ASN A 139 6.717 9.559 -5.633 1.00 0.00 H new ATOM 0 HA ASN A 139 5.886 12.340 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 139 5.758 10.864 -7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 139 5.077 9.564 -6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 139 2.253 10.620 -9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 139 3.812 9.814 -9.298 1.00 0.00 H new ATOM 806 N GLY A 140 4.081 10.416 -3.941 1.00 0.00 N ATOM 807 CA GLY A 140 3.004 10.466 -2.920 1.00 0.00 C ATOM 808 C GLY A 140 1.708 9.709 -3.320 1.00 0.00 C ATOM 809 O GLY A 140 0.990 9.296 -2.409 1.00 0.00 O ATOM 0 H GLY A 140 4.486 9.488 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.383 10.046 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.755 11.509 -2.722 1.00 0.00 H new ATOM 813 N VAL A 141 1.400 9.514 -4.627 1.00 0.00 N ATOM 814 CA VAL A 141 0.229 8.685 -5.075 1.00 0.00 C ATOM 815 C VAL A 141 0.865 7.338 -5.472 1.00 0.00 C ATOM 816 O VAL A 141 1.953 7.236 -6.061 1.00 0.00 O ATOM 817 CB VAL A 141 -0.709 9.157 -6.255 1.00 0.00 C ATOM 818 CG1 VAL A 141 -2.188 8.838 -5.995 1.00 0.00 C ATOM 819 CG2 VAL A 141 -0.619 10.648 -6.582 1.00 0.00 C ATOM 0 H VAL A 141 1.939 9.914 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 141 -0.475 8.713 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 141 -0.333 8.589 -7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -2.788 9.184 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -2.313 7.762 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -2.515 9.342 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -1.296 10.882 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -0.898 11.231 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 141 0.402 10.896 -6.872 1.00 0.00 H new ATOM 829 N ILE A 142 0.090 6.308 -5.150 1.00 0.00 N ATOM 830 CA ILE A 142 0.497 4.925 -5.354 1.00 0.00 C ATOM 831 C ILE A 142 -0.473 4.150 -6.256 1.00 0.00 C ATOM 832 O ILE A 142 -1.652 4.034 -5.940 1.00 0.00 O ATOM 833 CB ILE A 142 0.579 4.113 -4.017 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.010 4.850 -2.713 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.518 2.929 -4.262 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.225 3.911 -1.520 1.00 0.00 C ATOM 0 H ILE A 142 -0.838 6.410 -4.740 1.00 0.00 H new ATOM 0 HA ILE A 142 1.480 5.009 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.455 3.844 -3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 142 1.932 5.399 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.249 5.586 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.602 2.337 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.118 2.308 -5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.503 3.299 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 142 1.523 4.493 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 142 0.298 3.381 -1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.007 3.191 -1.760 1.00 0.00 H new ATOM 848 N ASP A 143 0.063 3.566 -7.321 1.00 0.00 N ATOM 849 CA ASP A 143 -0.680 2.628 -8.173 1.00 0.00 C ATOM 850 C ASP A 143 -0.400 1.215 -7.577 1.00 0.00 C ATOM 851 O ASP A 143 0.622 0.959 -6.918 1.00 0.00 O ATOM 852 CB ASP A 143 -0.337 2.781 -9.668 1.00 0.00 C ATOM 853 CG ASP A 143 1.062 2.476 -10.220 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.849 1.739 -9.583 1.00 0.00 O ATOM 855 OD2 ASP A 143 1.351 2.943 -11.342 1.00 0.00 O ATOM 0 H ASP A 143 1.024 3.725 -7.623 1.00 0.00 H new ATOM 0 HA ASP A 143 -1.752 2.827 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.035 2.149 -10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.562 3.813 -9.937 1.00 0.00 H new ATOM 860 N ILE A 144 -1.310 0.260 -7.807 1.00 0.00 N ATOM 861 CA ILE A 144 -1.144 -1.119 -7.265 1.00 0.00 C ATOM 862 C ILE A 144 0.260 -1.763 -7.612 1.00 0.00 C ATOM 863 O ILE A 144 0.823 -2.322 -6.667 1.00 0.00 O ATOM 864 CB ILE A 144 -2.310 -2.100 -7.669 1.00 0.00 C ATOM 865 CG1 ILE A 144 -3.751 -1.519 -7.822 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.312 -3.338 -6.727 1.00 0.00 C ATOM 867 CD1 ILE A 144 -4.843 -2.526 -8.221 1.00 0.00 C ATOM 0 H ILE A 144 -2.159 0.400 -8.354 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.190 -0.985 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.062 -2.367 -8.696 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.038 -1.057 -6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -3.725 -0.726 -8.569 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.120 -4.011 -7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.359 -3.860 -6.810 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.458 -3.012 -5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -5.801 -2.012 -8.298 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.592 -2.972 -9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.910 -3.308 -7.465 1.00 0.00 H new ATOM 879 N PRO A 145 0.891 -1.683 -8.832 1.00 0.00 N ATOM 880 CA PRO A 145 2.238 -2.249 -9.090 1.00 0.00 C ATOM 881 C PRO A 145 3.428 -1.737 -8.216 1.00 0.00 C ATOM 882 O PRO A 145 4.437 -2.430 -8.214 1.00 0.00 O ATOM 883 CB PRO A 145 2.444 -2.035 -10.601 1.00 0.00 C ATOM 884 CG PRO A 145 1.023 -1.987 -11.168 1.00 0.00 C ATOM 885 CD PRO A 145 0.267 -1.219 -10.086 1.00 0.00 C ATOM 0 HA PRO A 145 2.254 -3.295 -8.784 1.00 0.00 H new ATOM 0 HB2 PRO A 145 2.985 -1.111 -10.803 1.00 0.00 H new ATOM 0 HB3 PRO A 145 3.023 -2.846 -11.043 1.00 0.00 H new ATOM 0 HG2 PRO A 145 0.986 -1.476 -12.130 1.00 0.00 H new ATOM 0 HG3 PRO A 145 0.612 -2.985 -11.321 1.00 0.00 H new ATOM 0 HD2 PRO A 145 0.372 -0.141 -10.211 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -0.800 -1.440 -10.109 1.00 0.00 H new ATOM 893 N GLU A 146 3.379 -0.586 -7.498 1.00 0.00 N ATOM 894 CA GLU A 146 4.496 -0.140 -6.594 1.00 0.00 C ATOM 895 C GLU A 146 4.524 -1.047 -5.308 1.00 0.00 C ATOM 896 O GLU A 146 5.500 -1.776 -5.107 1.00 0.00 O ATOM 897 CB GLU A 146 4.359 1.378 -6.322 1.00 0.00 C ATOM 898 CG GLU A 146 4.689 2.270 -7.545 1.00 0.00 C ATOM 899 CD GLU A 146 4.352 3.738 -7.355 1.00 0.00 C ATOM 900 OE1 GLU A 146 3.154 4.091 -7.359 1.00 0.00 O ATOM 901 OE2 GLU A 146 5.294 4.543 -7.222 1.00 0.00 O ATOM 0 H GLU A 146 2.586 0.055 -7.520 1.00 0.00 H new ATOM 0 HA GLU A 146 5.471 -0.269 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.340 1.588 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 146 5.019 1.650 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 146 5.752 2.179 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 146 4.146 1.894 -8.412 1.00 0.00 H new ATOM 908 N PHE A 147 3.449 -1.023 -4.479 1.00 0.00 N ATOM 909 CA PHE A 147 3.257 -1.915 -3.289 1.00 0.00 C ATOM 910 C PHE A 147 3.381 -3.427 -3.696 1.00 0.00 C ATOM 911 O PHE A 147 4.153 -4.171 -3.066 1.00 0.00 O ATOM 912 CB PHE A 147 1.934 -1.507 -2.566 1.00 0.00 C ATOM 913 CG PHE A 147 1.559 -2.002 -1.134 1.00 0.00 C ATOM 914 CD1 PHE A 147 2.068 -3.172 -0.555 1.00 0.00 C ATOM 915 CD2 PHE A 147 0.514 -1.338 -0.468 1.00 0.00 C ATOM 916 CE1 PHE A 147 1.511 -3.688 0.611 1.00 0.00 C ATOM 917 CE2 PHE A 147 -0.107 -1.919 0.636 1.00 0.00 C ATOM 918 CZ PHE A 147 0.397 -3.095 1.178 1.00 0.00 C ATOM 0 H PHE A 147 2.674 -0.374 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 147 4.053 -1.783 -2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 147 1.925 -0.418 -2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 147 1.117 -1.810 -3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.901 -3.679 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.189 -0.368 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.951 -4.557 1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.980 -1.455 1.070 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.078 -3.544 2.038 1.00 0.00 H new ATOM 928 N MET A 148 2.677 -3.871 -4.771 1.00 0.00 N ATOM 929 CA MET A 148 2.801 -5.259 -5.281 1.00 0.00 C ATOM 930 C MET A 148 4.238 -5.553 -5.828 1.00 0.00 C ATOM 931 O MET A 148 4.614 -6.709 -5.720 1.00 0.00 O ATOM 932 CB MET A 148 1.771 -5.681 -6.373 1.00 0.00 C ATOM 933 CG MET A 148 0.452 -6.217 -5.839 1.00 0.00 C ATOM 934 SD MET A 148 0.448 -8.019 -5.965 1.00 0.00 S ATOM 935 CE MET A 148 0.420 -8.419 -4.220 1.00 0.00 C ATOM 0 H MET A 148 2.023 -3.291 -5.296 1.00 0.00 H new ATOM 0 HA MET A 148 2.583 -5.857 -4.396 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.565 -4.820 -7.009 1.00 0.00 H new ATOM 0 HB3 MET A 148 2.226 -6.443 -7.005 1.00 0.00 H new ATOM 0 HG2 MET A 148 0.316 -5.913 -4.801 1.00 0.00 H new ATOM 0 HG3 MET A 148 -0.380 -5.799 -6.406 1.00 0.00 H new ATOM 0 HE1 MET A 148 0.486 -9.500 -4.093 1.00 0.00 H new ATOM 0 HE2 MET A 148 1.266 -7.943 -3.724 1.00 0.00 H new ATOM 0 HE3 MET A 148 -0.509 -8.058 -3.779 1.00 0.00 H new ATOM 945 N ASP A 149 5.037 -4.660 -6.471 1.00 0.00 N ATOM 946 CA ASP A 149 6.448 -5.037 -6.841 1.00 0.00 C ATOM 947 C ASP A 149 7.290 -5.227 -5.531 1.00 0.00 C ATOM 948 O ASP A 149 7.938 -6.278 -5.382 1.00 0.00 O ATOM 949 CB ASP A 149 7.108 -4.029 -7.819 1.00 0.00 C ATOM 950 CG ASP A 149 8.291 -4.593 -8.610 1.00 0.00 C ATOM 951 OD1 ASP A 149 9.411 -4.655 -8.059 1.00 0.00 O ATOM 952 OD2 ASP A 149 8.101 -4.992 -9.779 1.00 0.00 O ATOM 0 H ASP A 149 4.757 -3.716 -6.738 1.00 0.00 H new ATOM 0 HA ASP A 149 6.417 -5.980 -7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.353 -3.676 -8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.447 -3.161 -7.253 1.00 0.00 H new ATOM 957 N LEU A 150 7.163 -4.254 -4.578 1.00 0.00 N ATOM 958 CA LEU A 150 7.799 -4.252 -3.239 1.00 0.00 C ATOM 959 C LEU A 150 7.624 -5.625 -2.531 1.00 0.00 C ATOM 960 O LEU A 150 8.651 -6.182 -2.142 1.00 0.00 O ATOM 961 CB LEU A 150 7.268 -2.954 -2.529 1.00 0.00 C ATOM 962 CG LEU A 150 7.213 -2.827 -0.975 1.00 0.00 C ATOM 963 CD1 LEU A 150 7.571 -1.412 -0.514 1.00 0.00 C ATOM 964 CD2 LEU A 150 5.792 -3.060 -0.409 1.00 0.00 C ATOM 0 H LEU A 150 6.592 -3.423 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 150 8.887 -4.179 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 150 7.877 -2.126 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 150 6.255 -2.788 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 150 7.917 -3.578 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 150 7.522 -1.360 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 150 8.580 -1.166 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 150 6.866 -0.700 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 150 5.812 -2.960 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 150 5.108 -2.323 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 150 5.454 -4.062 -0.675 1.00 0.00 H new ATOM 976 N ILE A 151 6.402 -6.183 -2.354 1.00 0.00 N ATOM 977 CA ILE A 151 6.243 -7.523 -1.722 1.00 0.00 C ATOM 978 C ILE A 151 6.060 -8.731 -2.696 1.00 0.00 C ATOM 979 O ILE A 151 6.377 -9.840 -2.276 1.00 0.00 O ATOM 980 CB ILE A 151 5.163 -7.446 -0.609 1.00 0.00 C ATOM 981 CG1 ILE A 151 5.582 -6.445 0.503 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.955 -8.807 0.110 1.00 0.00 C ATOM 983 CD1 ILE A 151 4.400 -5.854 1.259 1.00 0.00 C ATOM 0 H ILE A 151 5.526 -5.740 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 151 7.206 -7.763 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 151 4.249 -7.137 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 151 6.239 -6.952 1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 151 6.159 -5.636 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 151 4.190 -8.699 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 151 4.638 -9.557 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.891 -9.122 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 151 4.763 -5.164 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 151 3.754 -5.319 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 151 3.835 -6.655 1.735 1.00 0.00 H new ATOM 995 N LYS A 152 5.502 -8.599 -3.905 1.00 0.00 N ATOM 996 CA LYS A 152 5.287 -9.743 -4.841 1.00 0.00 C ATOM 997 C LYS A 152 6.397 -10.067 -5.900 1.00 0.00 C ATOM 998 O LYS A 152 6.364 -11.206 -6.390 1.00 0.00 O ATOM 999 CB LYS A 152 3.890 -9.559 -5.529 1.00 0.00 C ATOM 1000 CG LYS A 152 2.862 -10.710 -5.444 1.00 0.00 C ATOM 1001 CD LYS A 152 3.228 -12.092 -6.026 1.00 0.00 C ATOM 1002 CE LYS A 152 3.864 -13.064 -5.011 1.00 0.00 C ATOM 1003 NZ LYS A 152 3.672 -14.460 -5.479 1.00 0.00 N ATOM 0 H LYS A 152 5.182 -7.704 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 152 5.338 -10.626 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 152 3.426 -8.670 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 152 4.066 -9.351 -6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.615 -10.852 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 152 1.952 -10.375 -5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 152 2.327 -12.551 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.919 -11.951 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 152 4.927 -12.848 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 152 3.409 -12.932 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 4.100 -15.117 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 2.655 -14.661 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 4.126 -14.581 -6.407 1.00 0.00 H new