USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 148 MET CE :methyl -168:sc= -1.25! (180deg=-0.564) USER MOD Set 1.2: A 152 LYS NZ :NH3+ -111:sc= -0.094 (180deg=-0.00467) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.7) USER MOD Single : A 111 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.304) USER MOD Single : A 114 MET CE :methyl 180:sc=-0.00252 (180deg=-0.00252) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 131 MET CE :methyl -159:sc= 0 (180deg=-1.45) USER MOD Single : A 132 LYS NZ :NH3+ 174:sc= 2.36 (180deg=2.2) USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 89 -4.951 -11.528 0.067 1.00 0.00 N ATOM 32 CA GLU A 89 -5.082 -10.248 0.763 1.00 0.00 C ATOM 33 C GLU A 89 -4.143 -9.173 0.076 1.00 0.00 C ATOM 34 O GLU A 89 -4.441 -8.023 0.338 1.00 0.00 O ATOM 35 CB GLU A 89 -4.954 -10.535 2.284 1.00 0.00 C ATOM 36 CG GLU A 89 -5.193 -9.353 3.262 1.00 0.00 C ATOM 37 CD GLU A 89 -4.031 -8.433 3.632 1.00 0.00 C ATOM 38 OE1 GLU A 89 -3.019 -8.359 2.908 1.00 0.00 O ATOM 39 OE2 GLU A 89 -4.164 -7.740 4.663 1.00 0.00 O ATOM 0 HA GLU A 89 -6.054 -9.763 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.658 -11.328 2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.954 -10.927 2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.979 -8.730 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.586 -9.771 4.189 1.00 0.00 H new ATOM 46 N ILE A 90 -3.061 -9.376 -0.771 1.00 0.00 N ATOM 47 CA ILE A 90 -2.408 -8.231 -1.489 1.00 0.00 C ATOM 48 C ILE A 90 -3.500 -7.783 -2.520 1.00 0.00 C ATOM 49 O ILE A 90 -3.848 -6.599 -2.452 1.00 0.00 O ATOM 50 CB ILE A 90 -1.104 -8.299 -2.408 1.00 0.00 C ATOM 51 CG1 ILE A 90 0.326 -8.677 -1.988 1.00 0.00 C ATOM 52 CG2 ILE A 90 -0.799 -6.859 -2.947 1.00 0.00 C ATOM 53 CD1 ILE A 90 0.664 -9.967 -1.333 1.00 0.00 C ATOM 0 H ILE A 90 -2.645 -10.288 -0.960 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.054 -7.647 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.466 -9.139 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.938 -8.617 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.669 -7.890 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.090 -6.887 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.647 -6.502 -3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.627 -6.185 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.735 -10.004 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.116 -10.053 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.390 -10.792 -1.991 1.00 0.00 H new ATOM 65 N LEU A 91 -4.000 -8.648 -3.456 1.00 0.00 N ATOM 66 CA LEU A 91 -5.012 -8.138 -4.443 1.00 0.00 C ATOM 67 C LEU A 91 -6.286 -7.519 -3.755 1.00 0.00 C ATOM 68 O LEU A 91 -6.606 -6.349 -4.009 1.00 0.00 O ATOM 69 CB LEU A 91 -5.287 -9.180 -5.564 1.00 0.00 C ATOM 70 CG LEU A 91 -6.081 -10.481 -5.245 1.00 0.00 C ATOM 71 CD1 LEU A 91 -7.565 -10.367 -5.651 1.00 0.00 C ATOM 72 CD2 LEU A 91 -5.451 -11.727 -5.897 1.00 0.00 C ATOM 0 H LEU A 91 -3.744 -9.631 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.578 -7.282 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.820 -8.663 -6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.321 -9.482 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.029 -10.603 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.080 -11.297 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.029 -9.544 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.636 -10.180 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.042 -12.608 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.432 -11.601 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.433 -11.855 -5.529 1.00 0.00 H new ATOM 84 N ARG A 92 -6.905 -8.234 -2.792 1.00 0.00 N ATOM 85 CA ARG A 92 -8.080 -7.738 -2.032 1.00 0.00 C ATOM 86 C ARG A 92 -7.762 -6.534 -1.080 1.00 0.00 C ATOM 87 O ARG A 92 -8.580 -5.607 -1.042 1.00 0.00 O ATOM 88 CB ARG A 92 -8.769 -8.930 -1.308 1.00 0.00 C ATOM 89 CG ARG A 92 -9.599 -9.846 -2.246 1.00 0.00 C ATOM 90 CD ARG A 92 -10.221 -11.076 -1.547 1.00 0.00 C ATOM 91 NE ARG A 92 -11.505 -11.497 -2.180 1.00 0.00 N ATOM 92 CZ ARG A 92 -11.642 -12.234 -3.285 1.00 0.00 C ATOM 93 NH1 ARG A 92 -10.657 -12.762 -3.967 1.00 0.00 N ATOM 94 NH2 ARG A 92 -12.849 -12.449 -3.723 1.00 0.00 N ATOM 0 H ARG A 92 -6.608 -9.170 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.784 -7.314 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.006 -9.531 -0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.422 -8.539 -0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.397 -9.257 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.959 -10.190 -3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.514 -11.905 -1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.395 -10.845 -0.496 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.364 -11.191 -1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.694 -12.622 -3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.853 -13.313 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.649 -12.059 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.994 -13.007 -4.564 1.00 0.00 H new ATOM 108 N ALA A 93 -6.609 -6.510 -0.357 1.00 0.00 N ATOM 109 CA ALA A 93 -6.244 -5.378 0.534 1.00 0.00 C ATOM 110 C ALA A 93 -5.905 -4.114 -0.267 1.00 0.00 C ATOM 111 O ALA A 93 -6.494 -3.099 0.089 1.00 0.00 O ATOM 112 CB ALA A 93 -5.128 -5.608 1.567 1.00 0.00 C ATOM 0 H ALA A 93 -5.919 -7.261 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.156 -5.264 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.972 -4.696 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.415 -6.417 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.205 -5.874 1.052 1.00 0.00 H new ATOM 118 N PHE A 94 -5.020 -4.113 -1.305 1.00 0.00 N ATOM 119 CA PHE A 94 -4.788 -2.866 -2.097 1.00 0.00 C ATOM 120 C PHE A 94 -6.099 -2.430 -2.803 1.00 0.00 C ATOM 121 O PHE A 94 -6.456 -1.258 -2.663 1.00 0.00 O ATOM 122 CB PHE A 94 -3.634 -2.950 -3.159 1.00 0.00 C ATOM 123 CG PHE A 94 -3.064 -1.589 -3.690 1.00 0.00 C ATOM 124 CD1 PHE A 94 -3.917 -0.623 -4.241 1.00 0.00 C ATOM 125 CD2 PHE A 94 -1.707 -1.268 -3.596 1.00 0.00 C ATOM 126 CE1 PHE A 94 -3.478 0.651 -4.559 1.00 0.00 C ATOM 127 CE2 PHE A 94 -1.264 0.033 -3.843 1.00 0.00 C ATOM 128 CZ PHE A 94 -2.150 0.979 -4.349 1.00 0.00 C ATOM 0 H PHE A 94 -4.477 -4.922 -1.605 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.465 -2.127 -1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.811 -3.516 -2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.998 -3.522 -4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.950 -0.881 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.994 -2.034 -3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.163 1.380 -4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.238 0.304 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.800 1.974 -4.579 1.00 0.00 H new ATOM 138 N LYS A 95 -6.816 -3.328 -3.514 1.00 0.00 N ATOM 139 CA LYS A 95 -8.070 -2.929 -4.212 1.00 0.00 C ATOM 140 C LYS A 95 -9.187 -2.370 -3.271 1.00 0.00 C ATOM 141 O LYS A 95 -9.897 -1.467 -3.723 1.00 0.00 O ATOM 142 CB LYS A 95 -8.523 -4.067 -5.162 1.00 0.00 C ATOM 143 CG LYS A 95 -7.521 -4.351 -6.319 1.00 0.00 C ATOM 144 CD LYS A 95 -8.038 -5.407 -7.314 1.00 0.00 C ATOM 145 CE LYS A 95 -7.073 -5.589 -8.499 1.00 0.00 C ATOM 146 NZ LYS A 95 -7.599 -6.636 -9.416 1.00 0.00 N ATOM 0 H LYS A 95 -6.562 -4.310 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.848 -2.059 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.662 -4.979 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.493 -3.809 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.319 -3.423 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.574 -4.689 -5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.168 -6.359 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.019 -5.109 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.958 -4.647 -9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.085 -5.872 -8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.945 -6.757 -10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.687 -7.536 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.533 -6.348 -9.772 1.00 0.00 H new ATOM 160 N VAL A 96 -9.354 -2.852 -2.011 1.00 0.00 N ATOM 161 CA VAL A 96 -10.316 -2.218 -1.061 1.00 0.00 C ATOM 162 C VAL A 96 -9.694 -0.892 -0.480 1.00 0.00 C ATOM 163 O VAL A 96 -10.410 0.108 -0.381 1.00 0.00 O ATOM 164 CB VAL A 96 -10.832 -3.190 0.048 1.00 0.00 C ATOM 165 CG1 VAL A 96 -10.069 -3.200 1.382 1.00 0.00 C ATOM 166 CG2 VAL A 96 -12.267 -2.816 0.426 1.00 0.00 C ATOM 0 H VAL A 96 -8.851 -3.655 -1.634 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.214 -1.958 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.706 -4.169 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.531 -3.917 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.032 -3.484 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.102 -2.206 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.628 -3.494 1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.290 -1.793 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.907 -2.895 -0.453 1.00 0.00 H new ATOM 176 N PHE A 97 -8.385 -0.917 -0.084 1.00 0.00 N ATOM 177 CA PHE A 97 -7.609 0.256 0.431 1.00 0.00 C ATOM 178 C PHE A 97 -7.793 1.475 -0.526 1.00 0.00 C ATOM 179 O PHE A 97 -8.110 2.545 -0.022 1.00 0.00 O ATOM 180 CB PHE A 97 -6.122 -0.131 0.727 1.00 0.00 C ATOM 181 CG PHE A 97 -5.174 0.777 1.554 1.00 0.00 C ATOM 182 CD1 PHE A 97 -5.515 2.059 1.995 1.00 0.00 C ATOM 183 CD2 PHE A 97 -3.895 0.285 1.868 1.00 0.00 C ATOM 184 CE1 PHE A 97 -4.599 2.849 2.671 1.00 0.00 C ATOM 185 CE2 PHE A 97 -2.981 1.068 2.568 1.00 0.00 C ATOM 186 CZ PHE A 97 -3.334 2.351 2.963 1.00 0.00 C ATOM 0 H PHE A 97 -7.828 -1.771 -0.115 1.00 0.00 H new ATOM 0 HA PHE A 97 -8.004 0.570 1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -6.145 -1.098 1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.642 -0.286 -0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.508 2.440 1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.618 -0.713 1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.868 3.851 2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.001 0.679 2.803 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.624 2.964 3.499 1.00 0.00 H new ATOM 196 N ASP A 98 -7.717 1.285 -1.866 1.00 0.00 N ATOM 197 CA ASP A 98 -7.965 2.318 -2.901 1.00 0.00 C ATOM 198 C ASP A 98 -9.385 2.983 -2.707 1.00 0.00 C ATOM 199 O ASP A 98 -10.431 2.428 -3.069 1.00 0.00 O ATOM 200 CB ASP A 98 -7.766 1.550 -4.255 1.00 0.00 C ATOM 201 CG ASP A 98 -8.512 2.024 -5.499 1.00 0.00 C ATOM 202 OD1 ASP A 98 -8.721 3.242 -5.699 1.00 0.00 O ATOM 203 OD2 ASP A 98 -8.863 1.153 -6.323 1.00 0.00 O ATOM 0 H ASP A 98 -7.474 0.380 -2.269 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.290 3.172 -2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.701 1.564 -4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.041 0.509 -4.085 1.00 0.00 H new ATOM 208 N ALA A 99 -9.382 4.165 -2.070 1.00 0.00 N ATOM 209 CA ALA A 99 -10.622 4.945 -1.796 1.00 0.00 C ATOM 210 C ALA A 99 -11.187 5.709 -3.016 1.00 0.00 C ATOM 211 O ALA A 99 -12.414 5.787 -3.138 1.00 0.00 O ATOM 212 CB ALA A 99 -10.418 5.937 -0.638 1.00 0.00 C ATOM 0 H ALA A 99 -8.532 4.613 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.359 4.188 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.342 6.489 -0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.147 5.391 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.620 6.635 -0.893 1.00 0.00 H new ATOM 218 N ASN A 100 -10.330 6.269 -3.905 1.00 0.00 N ATOM 219 CA ASN A 100 -10.805 7.008 -5.100 1.00 0.00 C ATOM 220 C ASN A 100 -11.535 6.147 -6.204 1.00 0.00 C ATOM 221 O ASN A 100 -12.192 6.748 -7.061 1.00 0.00 O ATOM 222 CB ASN A 100 -9.667 7.881 -5.712 1.00 0.00 C ATOM 223 CG ASN A 100 -8.415 7.177 -6.321 1.00 0.00 C ATOM 224 OD1 ASN A 100 -8.402 5.957 -6.493 1.00 0.00 O ATOM 225 ND2 ASN A 100 -7.338 7.868 -6.701 1.00 0.00 N ATOM 0 H ASN A 100 -9.315 6.224 -3.818 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.593 7.656 -4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.110 8.497 -6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -9.317 8.558 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -6.542 7.384 -7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.311 8.880 -6.575 1.00 0.00 H new ATOM 232 N GLY A 101 -11.452 4.792 -6.200 1.00 0.00 N ATOM 233 CA GLY A 101 -12.135 3.939 -7.210 1.00 0.00 C ATOM 234 C GLY A 101 -11.506 3.701 -8.608 1.00 0.00 C ATOM 235 O GLY A 101 -12.191 3.138 -9.465 1.00 0.00 O ATOM 0 H GLY A 101 -10.919 4.265 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.282 2.960 -6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.124 4.366 -7.373 1.00 0.00 H new ATOM 239 N ASP A 102 -10.246 4.107 -8.845 1.00 0.00 N ATOM 240 CA ASP A 102 -9.504 3.897 -10.122 1.00 0.00 C ATOM 241 C ASP A 102 -8.234 2.966 -10.028 1.00 0.00 C ATOM 242 O ASP A 102 -7.682 2.580 -11.068 1.00 0.00 O ATOM 243 CB ASP A 102 -9.176 5.292 -10.734 1.00 0.00 C ATOM 244 CG ASP A 102 -8.235 6.237 -9.969 1.00 0.00 C ATOM 245 OD1 ASP A 102 -7.359 5.766 -9.211 1.00 0.00 O ATOM 246 OD2 ASP A 102 -8.370 7.468 -10.142 1.00 0.00 O ATOM 0 H ASP A 102 -9.694 4.602 -8.145 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.160 3.332 -10.784 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.745 5.125 -11.721 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.120 5.817 -10.883 1.00 0.00 H new ATOM 251 N GLY A 103 -7.816 2.588 -8.807 1.00 0.00 N ATOM 252 CA GLY A 103 -6.628 1.767 -8.518 1.00 0.00 C ATOM 253 C GLY A 103 -5.471 2.529 -7.819 1.00 0.00 C ATOM 254 O GLY A 103 -4.347 2.023 -7.880 1.00 0.00 O ATOM 0 H GLY A 103 -8.317 2.857 -7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.926 0.929 -7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.257 1.347 -9.453 1.00 0.00 H new ATOM 258 N VAL A 104 -5.711 3.692 -7.148 1.00 0.00 N ATOM 259 CA VAL A 104 -4.640 4.492 -6.499 1.00 0.00 C ATOM 260 C VAL A 104 -5.046 4.922 -5.045 1.00 0.00 C ATOM 261 O VAL A 104 -6.194 5.247 -4.732 1.00 0.00 O ATOM 262 CB VAL A 104 -4.209 5.717 -7.398 1.00 0.00 C ATOM 263 CG1 VAL A 104 -2.866 6.351 -7.011 1.00 0.00 C ATOM 264 CG2 VAL A 104 -4.034 5.396 -8.901 1.00 0.00 C ATOM 0 H VAL A 104 -6.643 4.094 -7.045 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.761 3.856 -6.400 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.050 6.387 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.650 7.183 -7.681 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.918 6.715 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.075 5.606 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.738 6.299 -9.434 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.264 4.634 -9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.976 5.028 -9.307 1.00 0.00 H new ATOM 274 N ILE A 105 -4.021 4.916 -4.180 1.00 0.00 N ATOM 275 CA ILE A 105 -4.075 5.295 -2.739 1.00 0.00 C ATOM 276 C ILE A 105 -3.386 6.676 -2.575 1.00 0.00 C ATOM 277 O ILE A 105 -2.276 6.872 -3.074 1.00 0.00 O ATOM 278 CB ILE A 105 -3.319 4.240 -1.846 1.00 0.00 C ATOM 279 CG1 ILE A 105 -4.079 2.888 -1.815 1.00 0.00 C ATOM 280 CG2 ILE A 105 -3.002 4.696 -0.382 1.00 0.00 C ATOM 281 CD1 ILE A 105 -3.227 1.738 -1.286 1.00 0.00 C ATOM 0 H ILE A 105 -3.084 4.636 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.117 5.332 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.352 4.127 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.968 2.991 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.421 2.647 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.481 3.896 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.371 5.585 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.933 4.926 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.814 0.819 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.351 1.611 -1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.906 1.961 -0.268 1.00 0.00 H new ATOM 293 N ASP A 106 -4.001 7.575 -1.789 1.00 0.00 N ATOM 294 CA ASP A 106 -3.433 8.916 -1.482 1.00 0.00 C ATOM 295 C ASP A 106 -2.937 9.028 0.009 1.00 0.00 C ATOM 296 O ASP A 106 -2.915 8.042 0.756 1.00 0.00 O ATOM 297 CB ASP A 106 -4.428 10.000 -1.988 1.00 0.00 C ATOM 298 CG ASP A 106 -5.651 10.306 -1.112 1.00 0.00 C ATOM 299 OD1 ASP A 106 -5.481 10.821 0.015 1.00 0.00 O ATOM 300 OD2 ASP A 106 -6.786 10.028 -1.552 1.00 0.00 O ATOM 0 H ASP A 106 -4.903 7.402 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.505 9.091 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.873 10.928 -2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.787 9.694 -2.971 1.00 0.00 H new ATOM 305 N PHE A 107 -2.481 10.228 0.429 1.00 0.00 N ATOM 306 CA PHE A 107 -1.954 10.451 1.807 1.00 0.00 C ATOM 307 C PHE A 107 -3.035 10.452 2.921 1.00 0.00 C ATOM 308 O PHE A 107 -2.847 9.713 3.885 1.00 0.00 O ATOM 309 CB PHE A 107 -1.042 11.710 1.857 1.00 0.00 C ATOM 310 CG PHE A 107 -0.149 11.916 3.112 1.00 0.00 C ATOM 311 CD1 PHE A 107 0.358 10.850 3.876 1.00 0.00 C ATOM 312 CD2 PHE A 107 0.128 13.227 3.519 1.00 0.00 C ATOM 313 CE1 PHE A 107 1.070 11.094 5.046 1.00 0.00 C ATOM 314 CE2 PHE A 107 0.856 13.468 4.683 1.00 0.00 C ATOM 315 CZ PHE A 107 1.307 12.402 5.454 1.00 0.00 C ATOM 0 H PHE A 107 -2.464 11.060 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 107 -1.342 9.579 2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -0.390 11.684 0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.679 12.588 1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.193 9.833 3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.225 14.058 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.438 10.268 5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.070 14.482 4.986 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.843 12.591 6.372 1.00 0.00 H new ATOM 325 N ASP A 108 -4.118 11.250 2.821 1.00 0.00 N ATOM 326 CA ASP A 108 -5.230 11.251 3.850 1.00 0.00 C ATOM 327 C ASP A 108 -5.933 9.844 4.035 1.00 0.00 C ATOM 328 O ASP A 108 -6.254 9.402 5.147 1.00 0.00 O ATOM 329 CB ASP A 108 -6.233 12.413 3.596 1.00 0.00 C ATOM 330 CG ASP A 108 -5.641 13.799 3.868 1.00 0.00 C ATOM 331 OD1 ASP A 108 -5.543 14.177 5.057 1.00 0.00 O ATOM 332 OD2 ASP A 108 -5.188 14.482 2.931 1.00 0.00 O ATOM 0 H ASP A 108 -4.265 11.904 2.052 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.759 11.440 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.574 12.369 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -7.110 12.270 4.227 1.00 0.00 H new ATOM 337 N GLU A 109 -6.111 9.118 2.929 1.00 0.00 N ATOM 338 CA GLU A 109 -6.634 7.728 2.871 1.00 0.00 C ATOM 339 C GLU A 109 -5.748 6.708 3.724 1.00 0.00 C ATOM 340 O GLU A 109 -6.206 5.932 4.592 1.00 0.00 O ATOM 341 CB GLU A 109 -6.609 7.587 1.319 1.00 0.00 C ATOM 342 CG GLU A 109 -7.551 6.543 0.766 1.00 0.00 C ATOM 343 CD GLU A 109 -7.167 5.118 1.022 1.00 0.00 C ATOM 344 OE1 GLU A 109 -6.327 4.588 0.270 1.00 0.00 O ATOM 345 OE2 GLU A 109 -7.720 4.527 1.972 1.00 0.00 O ATOM 0 H GLU A 109 -5.889 9.487 2.004 1.00 0.00 H new ATOM 0 HA GLU A 109 -7.605 7.511 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.856 8.552 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -5.594 7.343 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.541 6.714 1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.634 6.689 -0.311 1.00 0.00 H new ATOM 352 N PHE A 110 -4.417 6.809 3.488 1.00 0.00 N ATOM 353 CA PHE A 110 -3.367 6.103 4.252 1.00 0.00 C ATOM 354 C PHE A 110 -3.473 6.587 5.746 1.00 0.00 C ATOM 355 O PHE A 110 -3.514 5.716 6.601 1.00 0.00 O ATOM 356 CB PHE A 110 -1.977 6.284 3.587 1.00 0.00 C ATOM 357 CG PHE A 110 -0.986 5.106 3.664 1.00 0.00 C ATOM 358 CD1 PHE A 110 -0.669 4.487 4.879 1.00 0.00 C ATOM 359 CD2 PHE A 110 -0.283 4.728 2.514 1.00 0.00 C ATOM 360 CE1 PHE A 110 0.450 3.662 4.980 1.00 0.00 C ATOM 361 CE2 PHE A 110 0.801 3.861 2.606 1.00 0.00 C ATOM 362 CZ PHE A 110 1.212 3.394 3.848 1.00 0.00 C ATOM 0 H PHE A 110 -4.039 7.397 2.745 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.509 5.022 4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -2.137 6.519 2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.500 7.154 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.295 4.650 5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.584 5.112 1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.724 3.233 5.933 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.323 3.551 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.124 2.822 3.935 1.00 0.00 H new ATOM 372 N LYS A 111 -3.595 7.912 6.075 1.00 0.00 N ATOM 373 CA LYS A 111 -3.854 8.423 7.477 1.00 0.00 C ATOM 374 C LYS A 111 -5.076 7.716 8.170 1.00 0.00 C ATOM 375 O LYS A 111 -5.090 7.593 9.392 1.00 0.00 O ATOM 376 CB LYS A 111 -4.104 9.955 7.527 1.00 0.00 C ATOM 377 CG LYS A 111 -2.914 10.842 7.133 1.00 0.00 C ATOM 378 CD LYS A 111 -3.295 12.339 7.074 1.00 0.00 C ATOM 379 CE LYS A 111 -2.430 13.125 6.073 1.00 0.00 C ATOM 380 NZ LYS A 111 -3.059 14.441 5.782 1.00 0.00 N ATOM 0 H LYS A 111 -3.518 8.659 5.384 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.938 8.185 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.940 10.189 6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.411 10.221 8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -2.106 10.703 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -2.534 10.527 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.345 12.433 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.188 12.778 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.430 13.273 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.317 12.555 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -2.721 14.791 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.093 14.333 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.803 15.120 6.527 1.00 0.00 H new ATOM 394 N PHE A 112 -6.106 7.318 7.400 1.00 0.00 N ATOM 395 CA PHE A 112 -7.266 6.538 7.909 1.00 0.00 C ATOM 396 C PHE A 112 -6.871 5.042 8.244 1.00 0.00 C ATOM 397 O PHE A 112 -7.189 4.561 9.335 1.00 0.00 O ATOM 398 CB PHE A 112 -8.425 6.730 6.875 1.00 0.00 C ATOM 399 CG PHE A 112 -9.513 5.644 6.723 1.00 0.00 C ATOM 400 CD1 PHE A 112 -10.324 5.284 7.804 1.00 0.00 C ATOM 401 CD2 PHE A 112 -9.686 4.997 5.492 1.00 0.00 C ATOM 402 CE1 PHE A 112 -11.303 4.306 7.652 1.00 0.00 C ATOM 403 CE2 PHE A 112 -10.670 4.023 5.343 1.00 0.00 C ATOM 404 CZ PHE A 112 -11.482 3.682 6.422 1.00 0.00 C ATOM 0 H PHE A 112 -6.164 7.526 6.403 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.618 6.902 8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -8.931 7.663 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -7.966 6.868 5.896 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -10.190 5.767 8.761 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -9.054 5.255 4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -11.925 4.031 8.491 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -10.804 3.532 4.390 1.00 0.00 H new ATOM 0 HZ PHE A 112 -12.251 2.933 6.304 1.00 0.00 H new ATOM 414 N ILE A 113 -6.199 4.321 7.321 1.00 0.00 N ATOM 415 CA ILE A 113 -5.772 2.878 7.485 1.00 0.00 C ATOM 416 C ILE A 113 -4.354 2.590 8.115 1.00 0.00 C ATOM 417 O ILE A 113 -4.012 1.435 8.382 1.00 0.00 O ATOM 418 CB ILE A 113 -6.029 2.250 6.064 1.00 0.00 C ATOM 419 CG1 ILE A 113 -7.537 1.903 5.942 1.00 0.00 C ATOM 420 CG2 ILE A 113 -5.159 1.032 5.690 1.00 0.00 C ATOM 421 CD1 ILE A 113 -8.080 1.466 4.570 1.00 0.00 C ATOM 0 H ILE A 113 -5.924 4.713 6.420 1.00 0.00 H new ATOM 0 HA ILE A 113 -6.355 2.399 8.272 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.726 3.010 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -7.753 1.106 6.653 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -8.105 2.777 6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.426 0.687 4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.107 1.317 5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.328 0.230 6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -9.147 1.259 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.918 2.263 3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.560 0.566 4.243 1.00 0.00 H new ATOM 433 N MET A 114 -3.562 3.639 8.317 1.00 0.00 N ATOM 434 CA MET A 114 -2.175 3.681 8.853 1.00 0.00 C ATOM 435 C MET A 114 -1.660 2.732 9.932 1.00 0.00 C ATOM 436 O MET A 114 -0.466 2.413 9.928 1.00 0.00 O ATOM 437 CB MET A 114 -1.979 5.139 9.351 1.00 0.00 C ATOM 438 CG MET A 114 -2.899 5.745 10.434 1.00 0.00 C ATOM 439 SD MET A 114 -2.606 7.525 10.594 1.00 0.00 S ATOM 440 CE MET A 114 -1.346 7.636 11.869 1.00 0.00 C ATOM 0 H MET A 114 -3.892 4.578 8.093 1.00 0.00 H new ATOM 0 HA MET A 114 -1.584 3.317 8.012 1.00 0.00 H new ATOM 0 HB2 MET A 114 -0.957 5.214 9.723 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.048 5.786 8.477 1.00 0.00 H new ATOM 0 HG2 MET A 114 -3.942 5.564 10.176 1.00 0.00 H new ATOM 0 HG3 MET A 114 -2.718 5.254 11.390 1.00 0.00 H new ATOM 0 HE1 MET A 114 -1.095 8.682 12.043 1.00 0.00 H new ATOM 0 HE2 MET A 114 -1.722 7.195 12.792 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.454 7.098 11.547 1.00 0.00 H new ATOM 575 N THR A 123 0.105 8.017 15.795 1.00 0.00 N ATOM 576 CA THR A 123 1.230 8.919 15.425 1.00 0.00 C ATOM 577 C THR A 123 1.375 9.040 13.884 1.00 0.00 C ATOM 578 O THR A 123 1.430 8.040 13.158 1.00 0.00 O ATOM 579 CB THR A 123 2.578 8.495 16.063 1.00 0.00 C ATOM 580 OG1 THR A 123 2.962 7.185 15.661 1.00 0.00 O ATOM 581 CG2 THR A 123 2.618 8.556 17.600 1.00 0.00 C ATOM 0 HA THR A 123 0.977 9.898 15.831 1.00 0.00 H new ATOM 0 HB THR A 123 3.281 9.239 15.689 1.00 0.00 H new ATOM 0 HG1 THR A 123 3.816 6.951 16.081 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.601 8.241 17.951 1.00 0.00 H new ATOM 0 HG22 THR A 123 2.425 9.577 17.929 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.857 7.893 18.010 1.00 0.00 H new ATOM 589 N ASP A 124 1.471 10.292 13.416 1.00 0.00 N ATOM 590 CA ASP A 124 1.644 10.623 11.970 1.00 0.00 C ATOM 591 C ASP A 124 3.032 10.240 11.359 1.00 0.00 C ATOM 592 O ASP A 124 3.123 9.976 10.150 1.00 0.00 O ATOM 593 CB ASP A 124 1.297 12.116 11.742 1.00 0.00 C ATOM 594 CG ASP A 124 -0.203 12.432 11.725 1.00 0.00 C ATOM 595 OD1 ASP A 124 -0.873 12.115 10.716 1.00 0.00 O ATOM 596 OD2 ASP A 124 -0.708 13.014 12.708 1.00 0.00 O ATOM 0 H ASP A 124 1.432 11.114 14.019 1.00 0.00 H new ATOM 0 HA ASP A 124 0.946 9.990 11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 124 1.770 12.708 12.525 1.00 0.00 H new ATOM 0 HB3 ASP A 124 1.732 12.435 10.795 1.00 0.00 H new ATOM 601 N ALA A 125 4.103 10.209 12.188 1.00 0.00 N ATOM 602 CA ALA A 125 5.450 9.747 11.762 1.00 0.00 C ATOM 603 C ALA A 125 5.378 8.300 11.166 1.00 0.00 C ATOM 604 O ALA A 125 5.989 8.081 10.112 1.00 0.00 O ATOM 605 CB ALA A 125 6.431 9.855 12.937 1.00 0.00 C ATOM 0 H ALA A 125 4.061 10.501 13.164 1.00 0.00 H new ATOM 0 HA ALA A 125 5.821 10.391 10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.417 9.515 12.620 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.493 10.893 13.265 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.081 9.234 13.762 1.00 0.00 H new ATOM 611 N GLU A 126 4.597 7.357 11.785 1.00 0.00 N ATOM 612 CA GLU A 126 4.371 5.997 11.222 1.00 0.00 C ATOM 613 C GLU A 126 3.848 6.025 9.742 1.00 0.00 C ATOM 614 O GLU A 126 4.427 5.349 8.885 1.00 0.00 O ATOM 615 CB GLU A 126 3.304 5.266 12.096 1.00 0.00 C ATOM 616 CG GLU A 126 3.682 4.818 13.526 1.00 0.00 C ATOM 617 CD GLU A 126 3.710 3.305 13.683 1.00 0.00 C ATOM 618 OE1 GLU A 126 2.629 2.673 13.656 1.00 0.00 O ATOM 619 OE2 GLU A 126 4.807 2.712 13.707 1.00 0.00 O ATOM 0 H GLU A 126 4.118 7.521 12.671 1.00 0.00 H new ATOM 0 HA GLU A 126 5.332 5.483 11.227 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.438 5.924 12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.982 4.380 11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.661 5.223 13.782 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.968 5.239 14.234 1.00 0.00 H new ATOM 626 N VAL A 127 2.783 6.821 9.463 1.00 0.00 N ATOM 627 CA VAL A 127 2.180 6.921 8.118 1.00 0.00 C ATOM 628 C VAL A 127 3.042 7.664 7.071 1.00 0.00 C ATOM 629 O VAL A 127 3.156 7.146 5.947 1.00 0.00 O ATOM 630 CB VAL A 127 0.698 7.431 8.261 1.00 0.00 C ATOM 631 CG1 VAL A 127 0.283 8.851 8.663 1.00 0.00 C ATOM 632 CG2 VAL A 127 -0.077 7.074 6.990 1.00 0.00 C ATOM 0 H VAL A 127 2.325 7.406 10.162 1.00 0.00 H new ATOM 0 HA VAL A 127 2.148 5.924 7.679 1.00 0.00 H new ATOM 0 HB VAL A 127 0.466 6.911 9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.805 8.921 8.682 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.678 9.079 9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.680 9.564 7.941 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -1.105 7.424 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.394 7.551 6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -0.072 5.993 6.853 1.00 0.00 H new ATOM 642 N GLU A 128 3.674 8.812 7.406 1.00 0.00 N ATOM 643 CA GLU A 128 4.552 9.525 6.437 1.00 0.00 C ATOM 644 C GLU A 128 5.809 8.659 6.090 1.00 0.00 C ATOM 645 O GLU A 128 6.067 8.420 4.904 1.00 0.00 O ATOM 646 CB GLU A 128 4.845 10.953 7.003 1.00 0.00 C ATOM 647 CG GLU A 128 4.898 12.116 5.978 1.00 0.00 C ATOM 648 CD GLU A 128 6.112 12.221 5.085 1.00 0.00 C ATOM 649 OE1 GLU A 128 7.142 12.787 5.517 1.00 0.00 O ATOM 650 OE2 GLU A 128 6.044 11.753 3.934 1.00 0.00 O ATOM 0 H GLU A 128 3.599 9.261 8.319 1.00 0.00 H new ATOM 0 HA GLU A 128 4.064 9.670 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.081 11.188 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.799 10.920 7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.019 12.037 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.808 13.052 6.530 1.00 0.00 H new ATOM 657 N GLU A 129 6.532 8.109 7.098 1.00 0.00 N ATOM 658 CA GLU A 129 7.705 7.225 6.845 1.00 0.00 C ATOM 659 C GLU A 129 7.324 5.911 6.069 1.00 0.00 C ATOM 660 O GLU A 129 7.944 5.647 5.028 1.00 0.00 O ATOM 661 CB GLU A 129 8.504 6.963 8.155 1.00 0.00 C ATOM 662 CG GLU A 129 9.171 8.193 8.849 1.00 0.00 C ATOM 663 CD GLU A 129 9.965 9.155 7.966 1.00 0.00 C ATOM 664 OE1 GLU A 129 10.865 8.718 7.222 1.00 0.00 O ATOM 665 OE2 GLU A 129 9.657 10.367 7.976 1.00 0.00 O ATOM 0 H GLU A 129 6.328 8.258 8.086 1.00 0.00 H new ATOM 0 HA GLU A 129 8.376 7.759 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.830 6.496 8.873 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.286 6.237 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.388 8.763 9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.839 7.820 9.626 1.00 0.00 H new ATOM 672 N ALA A 130 6.274 5.155 6.505 1.00 0.00 N ATOM 673 CA ALA A 130 5.817 3.924 5.796 1.00 0.00 C ATOM 674 C ALA A 130 5.392 4.171 4.316 1.00 0.00 C ATOM 675 O ALA A 130 5.813 3.401 3.435 1.00 0.00 O ATOM 676 CB ALA A 130 4.697 3.216 6.578 1.00 0.00 C ATOM 0 H ALA A 130 5.732 5.376 7.340 1.00 0.00 H new ATOM 0 HA ALA A 130 6.687 3.269 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.384 2.323 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.065 2.933 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.847 3.890 6.687 1.00 0.00 H new ATOM 682 N MET A 131 4.601 5.243 4.026 1.00 0.00 N ATOM 683 CA MET A 131 4.233 5.548 2.621 1.00 0.00 C ATOM 684 C MET A 131 5.450 6.047 1.806 1.00 0.00 C ATOM 685 O MET A 131 5.514 5.664 0.642 1.00 0.00 O ATOM 686 CB MET A 131 3.017 6.489 2.607 1.00 0.00 C ATOM 687 CG MET A 131 2.488 6.781 1.208 1.00 0.00 C ATOM 688 SD MET A 131 1.116 7.930 1.294 1.00 0.00 S ATOM 689 CE MET A 131 0.475 7.536 -0.332 1.00 0.00 C ATOM 0 H MET A 131 4.220 5.886 4.720 1.00 0.00 H new ATOM 0 HA MET A 131 3.928 4.636 2.107 1.00 0.00 H new ATOM 0 HB2 MET A 131 2.219 6.047 3.203 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.290 7.429 3.087 1.00 0.00 H new ATOM 0 HG2 MET A 131 3.283 7.198 0.590 1.00 0.00 H new ATOM 0 HG3 MET A 131 2.167 5.855 0.732 1.00 0.00 H new ATOM 0 HE1 MET A 131 -0.151 8.356 -0.685 1.00 0.00 H new ATOM 0 HE2 MET A 131 1.304 7.388 -1.024 1.00 0.00 H new ATOM 0 HE3 MET A 131 -0.119 6.624 -0.278 1.00 0.00 H new ATOM 699 N LYS A 132 6.388 6.872 2.324 1.00 0.00 N ATOM 700 CA LYS A 132 7.625 7.213 1.554 1.00 0.00 C ATOM 701 C LYS A 132 8.437 5.907 1.208 1.00 0.00 C ATOM 702 O LYS A 132 8.914 5.796 0.076 1.00 0.00 O ATOM 703 CB LYS A 132 8.506 8.194 2.329 1.00 0.00 C ATOM 704 CG LYS A 132 8.033 9.664 2.358 1.00 0.00 C ATOM 705 CD LYS A 132 8.926 10.614 3.185 1.00 0.00 C ATOM 706 CE LYS A 132 9.004 10.209 4.667 1.00 0.00 C ATOM 707 NZ LYS A 132 9.341 11.349 5.549 1.00 0.00 N ATOM 0 H LYS A 132 6.325 7.307 3.244 1.00 0.00 H new ATOM 0 HA LYS A 132 7.318 7.694 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 132 8.588 7.841 3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 132 9.508 8.166 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 132 7.982 10.035 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 132 7.020 9.698 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 132 9.930 10.624 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 132 8.538 11.630 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 132 8.048 9.785 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 132 9.753 9.427 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 9.282 11.048 6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.307 11.674 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 8.671 12.127 5.382 1.00 0.00 H new ATOM 721 N GLU A 133 8.587 4.927 2.144 1.00 0.00 N ATOM 722 CA GLU A 133 9.235 3.612 1.850 1.00 0.00 C ATOM 723 C GLU A 133 8.502 2.861 0.671 1.00 0.00 C ATOM 724 O GLU A 133 9.180 2.351 -0.229 1.00 0.00 O ATOM 725 CB GLU A 133 9.242 2.723 3.129 1.00 0.00 C ATOM 726 CG GLU A 133 10.091 3.207 4.333 1.00 0.00 C ATOM 727 CD GLU A 133 9.791 2.490 5.648 1.00 0.00 C ATOM 728 OE1 GLU A 133 10.169 1.308 5.787 1.00 0.00 O ATOM 729 OE2 GLU A 133 9.205 3.116 6.558 1.00 0.00 O ATOM 0 H GLU A 133 8.269 5.022 3.108 1.00 0.00 H new ATOM 0 HA GLU A 133 10.262 3.804 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.212 2.612 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 133 9.594 1.731 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.146 3.075 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.927 4.276 4.471 1.00 0.00 H new ATOM 736 N ALA A 134 7.140 2.829 0.681 1.00 0.00 N ATOM 737 CA ALA A 134 6.338 2.184 -0.393 1.00 0.00 C ATOM 738 C ALA A 134 6.058 3.002 -1.710 1.00 0.00 C ATOM 739 O ALA A 134 5.730 2.376 -2.723 1.00 0.00 O ATOM 740 CB ALA A 134 5.042 1.654 0.223 1.00 0.00 C ATOM 0 H ALA A 134 6.576 3.244 1.423 1.00 0.00 H new ATOM 0 HA ALA A 134 6.977 1.387 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 134 4.440 1.177 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 134 5.279 0.926 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.482 2.481 0.660 1.00 0.00 H new ATOM 746 N ASP A 135 6.183 4.354 -1.757 1.00 0.00 N ATOM 747 CA ASP A 135 6.032 5.111 -3.032 1.00 0.00 C ATOM 748 C ASP A 135 7.434 4.999 -3.738 1.00 0.00 C ATOM 749 O ASP A 135 8.398 5.686 -3.368 1.00 0.00 O ATOM 750 CB ASP A 135 5.638 6.606 -2.954 1.00 0.00 C ATOM 751 CG ASP A 135 5.655 7.276 -4.371 1.00 0.00 C ATOM 752 OD1 ASP A 135 5.512 6.723 -5.440 1.00 0.00 O ATOM 753 OD2 ASP A 135 5.712 8.590 -4.323 1.00 0.00 O ATOM 0 H ASP A 135 6.384 4.935 -0.944 1.00 0.00 H new ATOM 0 HA ASP A 135 5.186 4.667 -3.557 1.00 0.00 H new ATOM 0 HB2 ASP A 135 4.644 6.700 -2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 135 6.327 7.132 -2.293 1.00 0.00 H new ATOM 758 N GLU A 136 7.536 4.136 -4.745 1.00 0.00 N ATOM 759 CA GLU A 136 8.796 3.971 -5.524 1.00 0.00 C ATOM 760 C GLU A 136 9.025 5.041 -6.664 1.00 0.00 C ATOM 761 O GLU A 136 10.164 5.206 -7.114 1.00 0.00 O ATOM 762 CB GLU A 136 8.916 2.499 -6.004 1.00 0.00 C ATOM 763 CG GLU A 136 8.865 1.438 -4.865 1.00 0.00 C ATOM 764 CD GLU A 136 9.785 0.230 -4.986 1.00 0.00 C ATOM 765 OE1 GLU A 136 11.022 0.408 -4.928 1.00 0.00 O ATOM 766 OE2 GLU A 136 9.277 -0.905 -5.088 1.00 0.00 O ATOM 0 H GLU A 136 6.773 3.534 -5.053 1.00 0.00 H new ATOM 0 HA GLU A 136 9.625 4.184 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.111 2.294 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.853 2.384 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.094 1.942 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.840 1.074 -4.790 1.00 0.00 H new ATOM 773 N ASP A 137 7.971 5.749 -7.141 1.00 0.00 N ATOM 774 CA ASP A 137 8.074 6.704 -8.292 1.00 0.00 C ATOM 775 C ASP A 137 8.461 8.194 -8.013 1.00 0.00 C ATOM 776 O ASP A 137 8.886 8.892 -8.945 1.00 0.00 O ATOM 777 CB ASP A 137 6.712 6.556 -9.040 1.00 0.00 C ATOM 778 CG ASP A 137 6.383 7.548 -10.162 1.00 0.00 C ATOM 779 OD1 ASP A 137 5.927 8.668 -9.838 1.00 0.00 O ATOM 780 OD2 ASP A 137 6.592 7.228 -11.353 1.00 0.00 O ATOM 0 H ASP A 137 7.032 5.681 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 137 8.948 6.426 -8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 137 6.673 5.552 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.917 6.620 -8.297 1.00 0.00 H new ATOM 785 N GLY A 138 8.415 8.675 -6.762 1.00 0.00 N ATOM 786 CA GLY A 138 8.645 10.103 -6.435 1.00 0.00 C ATOM 787 C GLY A 138 7.404 11.041 -6.629 1.00 0.00 C ATOM 788 O GLY A 138 7.531 12.247 -6.405 1.00 0.00 O ATOM 0 H GLY A 138 8.219 8.094 -5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 138 8.975 10.173 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 138 9.461 10.474 -7.055 1.00 0.00 H new ATOM 792 N ASN A 139 6.213 10.491 -6.967 1.00 0.00 N ATOM 793 CA ASN A 139 4.934 11.243 -7.096 1.00 0.00 C ATOM 794 C ASN A 139 4.275 11.487 -5.702 1.00 0.00 C ATOM 795 O ASN A 139 3.867 12.622 -5.438 1.00 0.00 O ATOM 796 CB ASN A 139 3.989 10.494 -8.087 1.00 0.00 C ATOM 797 CG ASN A 139 2.455 10.735 -8.062 1.00 0.00 C ATOM 798 OD1 ASN A 139 1.677 9.794 -7.907 1.00 0.00 O ATOM 799 ND2 ASN A 139 1.977 11.965 -8.183 1.00 0.00 N ATOM 0 H ASN A 139 6.109 9.495 -7.162 1.00 0.00 H new ATOM 0 HA ASN A 139 5.136 12.232 -7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 139 4.333 10.727 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 139 4.148 9.426 -7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 139 0.971 12.127 -8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 139 2.616 12.750 -8.312 1.00 0.00 H new ATOM 806 N GLY A 140 4.159 10.449 -4.845 1.00 0.00 N ATOM 807 CA GLY A 140 3.499 10.573 -3.529 1.00 0.00 C ATOM 808 C GLY A 140 2.158 9.816 -3.387 1.00 0.00 C ATOM 809 O GLY A 140 1.765 9.614 -2.237 1.00 0.00 O ATOM 0 H GLY A 140 4.515 9.514 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.184 10.211 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.324 11.630 -3.327 1.00 0.00 H new ATOM 813 N VAL A 141 1.438 9.438 -4.477 1.00 0.00 N ATOM 814 CA VAL A 141 0.158 8.671 -4.376 1.00 0.00 C ATOM 815 C VAL A 141 0.426 7.378 -5.208 1.00 0.00 C ATOM 816 O VAL A 141 0.789 7.381 -6.389 1.00 0.00 O ATOM 817 CB VAL A 141 -1.133 9.522 -4.643 1.00 0.00 C ATOM 818 CG1 VAL A 141 -1.131 10.821 -3.812 1.00 0.00 C ATOM 819 CG2 VAL A 141 -1.599 9.900 -6.051 1.00 0.00 C ATOM 0 H VAL A 141 1.718 9.649 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 141 -0.111 8.373 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 141 -1.856 8.761 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -2.039 11.387 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -1.093 10.574 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -0.260 11.421 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.514 10.489 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -0.824 10.486 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -1.791 8.994 -6.626 1.00 0.00 H new ATOM 829 N ILE A 142 0.256 6.269 -4.477 1.00 0.00 N ATOM 830 CA ILE A 142 0.571 4.899 -4.923 1.00 0.00 C ATOM 831 C ILE A 142 -0.450 4.197 -5.845 1.00 0.00 C ATOM 832 O ILE A 142 -1.624 4.122 -5.505 1.00 0.00 O ATOM 833 CB ILE A 142 0.725 3.912 -3.686 1.00 0.00 C ATOM 834 CG1 ILE A 142 1.196 4.438 -2.281 1.00 0.00 C ATOM 835 CG2 ILE A 142 1.639 2.760 -4.111 1.00 0.00 C ATOM 836 CD1 ILE A 142 1.828 3.404 -1.337 1.00 0.00 C ATOM 0 H ILE A 142 -0.116 6.298 -3.528 1.00 0.00 H new ATOM 0 HA ILE A 142 1.485 5.071 -5.491 1.00 0.00 H new ATOM 0 HB ILE A 142 -0.312 3.649 -3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 142 1.918 5.239 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 142 0.336 4.879 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 142 1.762 2.067 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 142 1.195 2.236 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 142 2.613 3.156 -4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.110 3.889 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 142 1.108 2.611 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 142 2.714 2.977 -1.806 1.00 0.00 H new ATOM 848 N ASP A 143 0.033 3.624 -6.952 1.00 0.00 N ATOM 849 CA ASP A 143 -0.760 2.748 -7.839 1.00 0.00 C ATOM 850 C ASP A 143 -0.490 1.280 -7.360 1.00 0.00 C ATOM 851 O ASP A 143 0.502 0.980 -6.674 1.00 0.00 O ATOM 852 CB ASP A 143 -0.415 2.978 -9.327 1.00 0.00 C ATOM 853 CG ASP A 143 1.015 2.744 -9.837 1.00 0.00 C ATOM 854 OD1 ASP A 143 1.775 1.956 -9.226 1.00 0.00 O ATOM 855 OD2 ASP A 143 1.355 3.322 -10.889 1.00 0.00 O ATOM 0 H ASP A 143 0.995 3.753 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 143 -1.825 2.970 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.075 2.339 -9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -0.677 4.009 -9.563 1.00 0.00 H new ATOM 860 N ILE A 144 -1.352 0.323 -7.734 1.00 0.00 N ATOM 861 CA ILE A 144 -1.163 -1.095 -7.296 1.00 0.00 C ATOM 862 C ILE A 144 0.254 -1.689 -7.660 1.00 0.00 C ATOM 863 O ILE A 144 0.837 -2.216 -6.708 1.00 0.00 O ATOM 864 CB ILE A 144 -2.303 -2.078 -7.799 1.00 0.00 C ATOM 865 CG1 ILE A 144 -3.775 -1.606 -7.603 1.00 0.00 C ATOM 866 CG2 ILE A 144 -2.157 -3.520 -7.220 1.00 0.00 C ATOM 867 CD1 ILE A 144 -4.840 -2.353 -8.423 1.00 0.00 C ATOM 0 H ILE A 144 -2.170 0.483 -8.322 1.00 0.00 H new ATOM 0 HA ILE A 144 -1.231 -1.033 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 144 -2.127 -2.076 -8.875 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -4.027 -1.699 -6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -3.831 -0.546 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -2.964 -4.147 -7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -1.198 -3.939 -7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -2.207 -3.482 -6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -5.824 -1.939 -8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -4.626 -2.240 -9.486 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.825 -3.411 -8.161 1.00 0.00 H new ATOM 879 N PRO A 145 0.868 -1.615 -8.886 1.00 0.00 N ATOM 880 CA PRO A 145 2.212 -2.189 -9.170 1.00 0.00 C ATOM 881 C PRO A 145 3.414 -1.844 -8.242 1.00 0.00 C ATOM 882 O PRO A 145 4.308 -2.683 -8.149 1.00 0.00 O ATOM 883 CB PRO A 145 2.463 -1.807 -10.641 1.00 0.00 C ATOM 884 CG PRO A 145 1.061 -1.656 -11.237 1.00 0.00 C ATOM 885 CD PRO A 145 0.287 -1.000 -10.095 1.00 0.00 C ATOM 0 HA PRO A 145 2.172 -3.258 -8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 145 3.031 -0.880 -10.720 1.00 0.00 H new ATOM 0 HB3 PRO A 145 3.035 -2.576 -11.160 1.00 0.00 H new ATOM 0 HG2 PRO A 145 1.065 -1.036 -12.133 1.00 0.00 H new ATOM 0 HG3 PRO A 145 0.633 -2.618 -11.517 1.00 0.00 H new ATOM 0 HD2 PRO A 145 0.413 0.083 -10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -0.783 -1.196 -10.171 1.00 0.00 H new ATOM 893 N GLU A 146 3.455 -0.680 -7.548 1.00 0.00 N ATOM 894 CA GLU A 146 4.593 -0.333 -6.634 1.00 0.00 C ATOM 895 C GLU A 146 4.551 -1.203 -5.327 1.00 0.00 C ATOM 896 O GLU A 146 5.456 -2.028 -5.144 1.00 0.00 O ATOM 897 CB GLU A 146 4.596 1.219 -6.445 1.00 0.00 C ATOM 898 CG GLU A 146 4.834 2.082 -7.724 1.00 0.00 C ATOM 899 CD GLU A 146 6.109 1.891 -8.539 1.00 0.00 C ATOM 900 OE1 GLU A 146 6.367 0.773 -9.032 1.00 0.00 O ATOM 901 OE2 GLU A 146 6.837 2.885 -8.737 1.00 0.00 O ATOM 0 H GLU A 146 2.727 0.033 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 146 5.563 -0.590 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 146 3.639 1.511 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 146 5.366 1.471 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 146 3.991 1.911 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 146 4.794 3.129 -7.422 1.00 0.00 H new ATOM 908 N PHE A 147 3.510 -1.066 -4.458 1.00 0.00 N ATOM 909 CA PHE A 147 3.285 -1.931 -3.246 1.00 0.00 C ATOM 910 C PHE A 147 3.398 -3.433 -3.615 1.00 0.00 C ATOM 911 O PHE A 147 4.197 -4.140 -2.986 1.00 0.00 O ATOM 912 CB PHE A 147 1.931 -1.577 -2.525 1.00 0.00 C ATOM 913 CG PHE A 147 1.176 -2.478 -1.464 1.00 0.00 C ATOM 914 CD1 PHE A 147 1.499 -3.815 -1.177 1.00 0.00 C ATOM 915 CD2 PHE A 147 -0.069 -2.004 -1.016 1.00 0.00 C ATOM 916 CE1 PHE A 147 0.569 -4.684 -0.616 1.00 0.00 C ATOM 917 CE2 PHE A 147 -1.014 -2.886 -0.479 1.00 0.00 C ATOM 918 CZ PHE A 147 -0.689 -4.219 -0.274 1.00 0.00 C ATOM 0 H PHE A 147 2.794 -0.349 -4.573 1.00 0.00 H new ATOM 0 HA PHE A 147 4.073 -1.722 -2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 147 2.103 -0.621 -2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 147 1.211 -1.397 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.493 -4.176 -1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -0.298 -0.951 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 147 0.828 -5.719 -0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -2.000 -2.527 -0.223 1.00 0.00 H new ATOM 0 HZ PHE A 147 -1.417 -4.893 0.152 1.00 0.00 H new ATOM 928 N MET A 148 2.640 -3.916 -4.633 1.00 0.00 N ATOM 929 CA MET A 148 2.731 -5.339 -4.993 1.00 0.00 C ATOM 930 C MET A 148 4.136 -5.781 -5.444 1.00 0.00 C ATOM 931 O MET A 148 4.477 -6.863 -4.995 1.00 0.00 O ATOM 932 CB MET A 148 1.625 -5.810 -5.931 1.00 0.00 C ATOM 933 CG MET A 148 1.316 -5.508 -7.386 1.00 0.00 C ATOM 934 SD MET A 148 0.000 -6.679 -7.950 1.00 0.00 S ATOM 935 CE MET A 148 -0.673 -7.643 -6.523 1.00 0.00 C ATOM 0 H MET A 148 1.990 -3.364 -5.192 1.00 0.00 H new ATOM 0 HA MET A 148 2.554 -5.865 -4.055 1.00 0.00 H new ATOM 0 HB2 MET A 148 1.702 -6.897 -5.901 1.00 0.00 H new ATOM 0 HB3 MET A 148 0.707 -5.541 -5.408 1.00 0.00 H new ATOM 0 HG2 MET A 148 0.981 -4.477 -7.498 1.00 0.00 H new ATOM 0 HG3 MET A 148 2.212 -5.620 -7.996 1.00 0.00 H new ATOM 0 HE1 MET A 148 -1.284 -8.466 -6.895 1.00 0.00 H new ATOM 0 HE2 MET A 148 0.152 -8.042 -5.932 1.00 0.00 H new ATOM 0 HE3 MET A 148 -1.284 -6.991 -5.899 1.00 0.00 H new ATOM 945 N ASP A 149 4.957 -5.060 -6.227 1.00 0.00 N ATOM 946 CA ASP A 149 6.362 -5.518 -6.506 1.00 0.00 C ATOM 947 C ASP A 149 7.234 -5.576 -5.173 1.00 0.00 C ATOM 948 O ASP A 149 7.840 -6.627 -4.855 1.00 0.00 O ATOM 949 CB ASP A 149 6.978 -4.636 -7.622 1.00 0.00 C ATOM 950 CG ASP A 149 7.952 -5.421 -8.493 1.00 0.00 C ATOM 951 OD1 ASP A 149 7.503 -6.097 -9.444 1.00 0.00 O ATOM 952 OD2 ASP A 149 9.167 -5.383 -8.215 1.00 0.00 O ATOM 0 H ASP A 149 4.698 -4.181 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 149 6.349 -6.543 -6.876 1.00 0.00 H new ATOM 0 HB2 ASP A 149 6.181 -4.229 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 149 7.495 -3.789 -7.172 1.00 0.00 H new ATOM 957 N LEU A 150 7.146 -4.448 -4.392 1.00 0.00 N ATOM 958 CA LEU A 150 7.781 -4.202 -3.057 1.00 0.00 C ATOM 959 C LEU A 150 7.619 -5.445 -2.119 1.00 0.00 C ATOM 960 O LEU A 150 8.626 -5.873 -1.548 1.00 0.00 O ATOM 961 CB LEU A 150 7.174 -2.800 -2.643 1.00 0.00 C ATOM 962 CG LEU A 150 7.120 -2.122 -1.246 1.00 0.00 C ATOM 963 CD1 LEU A 150 6.419 -2.956 -0.174 1.00 0.00 C ATOM 964 CD2 LEU A 150 8.405 -1.457 -0.752 1.00 0.00 C ATOM 0 H LEU A 150 6.598 -3.644 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 150 8.867 -4.116 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 150 7.683 -2.078 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 150 6.136 -2.840 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 150 6.470 -1.269 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 150 6.424 -2.412 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 150 5.390 -3.147 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 150 6.943 -3.904 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 150 8.234 -1.022 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 150 9.198 -2.202 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 150 8.700 -0.672 -1.449 1.00 0.00 H new ATOM 976 N ILE A 151 6.404 -6.037 -1.992 1.00 0.00 N ATOM 977 CA ILE A 151 6.179 -7.279 -1.195 1.00 0.00 C ATOM 978 C ILE A 151 6.314 -8.571 -2.100 1.00 0.00 C ATOM 979 O ILE A 151 6.939 -9.532 -1.635 1.00 0.00 O ATOM 980 CB ILE A 151 4.841 -7.286 -0.380 1.00 0.00 C ATOM 981 CG1 ILE A 151 4.529 -5.952 0.366 1.00 0.00 C ATOM 982 CG2 ILE A 151 4.846 -8.471 0.615 1.00 0.00 C ATOM 983 CD1 ILE A 151 3.271 -5.914 1.247 1.00 0.00 C ATOM 0 H ILE A 151 5.558 -5.675 -2.433 1.00 0.00 H new ATOM 0 HA ILE A 151 6.970 -7.294 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 151 4.041 -7.400 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 151 5.387 -5.707 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 151 4.443 -5.161 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 151 3.915 -8.475 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 151 4.940 -9.407 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 151 5.687 -8.367 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 151 3.177 -4.929 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 151 2.392 -6.116 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 151 3.351 -6.670 2.028 1.00 0.00 H new ATOM 995 N LYS A 152 5.743 -8.631 -3.339 1.00 0.00 N ATOM 996 CA LYS A 152 5.821 -9.825 -4.250 1.00 0.00 C ATOM 997 C LYS A 152 7.220 -10.363 -4.644 1.00 0.00 C ATOM 998 O LYS A 152 7.202 -11.452 -5.235 1.00 0.00 O ATOM 999 CB LYS A 152 4.975 -9.688 -5.560 1.00 0.00 C ATOM 1000 CG LYS A 152 3.475 -9.964 -5.357 1.00 0.00 C ATOM 1001 CD LYS A 152 2.639 -9.894 -6.663 1.00 0.00 C ATOM 1002 CE LYS A 152 1.353 -10.751 -6.710 1.00 0.00 C ATOM 1003 NZ LYS A 152 0.520 -10.609 -5.482 1.00 0.00 N ATOM 0 H LYS A 152 5.215 -7.855 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 152 5.390 -10.566 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.100 -8.682 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.365 -10.378 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 152 3.354 -10.952 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 152 3.076 -9.243 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 152 2.361 -8.854 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.279 -10.194 -7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 152 0.762 -10.464 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 152 1.624 -11.799 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 0.542 -11.498 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 0.897 -9.838 -4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -0.461 -10.391 -5.751 1.00 0.00 H new