USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 580 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 93 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 157 MET CE :methyl -134:sc= 0 (180deg=-0.0259) USER MOD Set 2.1: A 98 SER OG : rot 180:sc= 0.607 USER MOD Set 2.2: A 150 TYR OH : rot -110:sc= -1.83 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -3.22 X(o=-3.2,f=-3.4!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 142:sc= -6.45! (180deg=-7.94!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot 130:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -65:sc= 1.03 USER MOD Single : A 137 MET CE :methyl 172:sc= -1.45 (180deg=-1.83) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0119) USER MOD Single : A 143 ASN : amide:sc=-0.00294 X(o=-0.0029,f=-0.32) USER MOD Single : A 144 ASN : amide:sc= -0.067 K(o=-0.067,f=-0.58) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 93 0.915 13.500 -2.816 1.00 0.00 N ATOM 72 CA SER A 93 1.346 12.154 -2.457 1.00 0.00 C ATOM 73 C SER A 93 0.670 11.691 -1.170 1.00 0.00 C ATOM 74 O SER A 93 0.422 10.500 -0.982 1.00 0.00 O ATOM 75 CB SER A 93 2.866 12.109 -2.292 1.00 0.00 C ATOM 76 OG SER A 93 3.397 10.889 -2.779 1.00 0.00 O ATOM 0 HA SER A 93 1.055 11.480 -3.263 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.318 12.945 -2.827 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.124 12.227 -1.240 1.00 0.00 H new ATOM 0 HG SER A 93 4.370 10.887 -2.663 1.00 0.00 H new ATOM 82 N GLU A 94 0.375 12.640 -0.288 1.00 0.00 N ATOM 83 CA GLU A 94 -0.272 12.330 0.982 1.00 0.00 C ATOM 84 C GLU A 94 -1.776 12.155 0.798 1.00 0.00 C ATOM 85 O GLU A 94 -2.404 11.342 1.476 1.00 0.00 O ATOM 86 CB GLU A 94 0.006 13.436 2.002 1.00 0.00 C ATOM 87 CG GLU A 94 0.286 12.915 3.402 1.00 0.00 C ATOM 88 CD GLU A 94 0.944 13.954 4.289 1.00 0.00 C ATOM 89 OE1 GLU A 94 2.035 14.440 3.925 1.00 0.00 O ATOM 90 OE2 GLU A 94 0.369 14.281 5.349 1.00 0.00 O ATOM 0 H GLU A 94 0.574 13.630 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 94 0.140 11.392 1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.860 14.024 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.850 14.109 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.649 12.592 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.929 12.038 3.337 1.00 0.00 H new ATOM 97 N GLU A 95 -2.347 12.924 -0.124 1.00 0.00 N ATOM 98 CA GLU A 95 -3.778 12.854 -0.397 1.00 0.00 C ATOM 99 C GLU A 95 -4.144 11.526 -1.052 1.00 0.00 C ATOM 100 O GLU A 95 -5.202 10.959 -0.779 1.00 0.00 O ATOM 101 CB GLU A 95 -4.203 14.016 -1.298 1.00 0.00 C ATOM 102 CG GLU A 95 -4.681 15.237 -0.530 1.00 0.00 C ATOM 103 CD GLU A 95 -3.667 15.720 0.487 1.00 0.00 C ATOM 104 OE1 GLU A 95 -2.726 16.441 0.092 1.00 0.00 O ATOM 105 OE2 GLU A 95 -3.812 15.378 1.680 1.00 0.00 O ATOM 0 H GLU A 95 -1.841 13.602 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.308 12.927 0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.362 14.301 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.000 13.679 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.897 16.042 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.615 14.999 -0.021 1.00 0.00 H new ATOM 112 N GLU A 96 -3.263 11.036 -1.917 1.00 0.00 N ATOM 113 CA GLU A 96 -3.494 9.774 -2.612 1.00 0.00 C ATOM 114 C GLU A 96 -3.643 8.625 -1.619 1.00 0.00 C ATOM 115 O GLU A 96 -4.470 7.734 -1.807 1.00 0.00 O ATOM 116 CB GLU A 96 -2.346 9.483 -3.579 1.00 0.00 C ATOM 117 CG GLU A 96 -2.526 8.194 -4.366 1.00 0.00 C ATOM 118 CD GLU A 96 -2.962 8.441 -5.797 1.00 0.00 C ATOM 119 OE1 GLU A 96 -4.185 8.514 -6.041 1.00 0.00 O ATOM 120 OE2 GLU A 96 -2.081 8.562 -6.674 1.00 0.00 O ATOM 0 H GLU A 96 -2.382 11.493 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.422 9.864 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -2.250 10.315 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.413 9.429 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.588 7.639 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.266 7.568 -3.867 1.00 0.00 H new ATOM 127 N LEU A 97 -2.834 8.652 -0.565 1.00 0.00 N ATOM 128 CA LEU A 97 -2.874 7.612 0.456 1.00 0.00 C ATOM 129 C LEU A 97 -4.016 7.853 1.438 1.00 0.00 C ATOM 130 O LEU A 97 -4.616 6.909 1.952 1.00 0.00 O ATOM 131 CB LEU A 97 -1.543 7.556 1.207 1.00 0.00 C ATOM 132 CG LEU A 97 -0.336 7.158 0.355 1.00 0.00 C ATOM 133 CD1 LEU A 97 0.884 7.992 0.726 1.00 0.00 C ATOM 134 CD2 LEU A 97 -0.042 5.671 0.509 1.00 0.00 C ATOM 0 H LEU A 97 -2.143 9.383 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.045 6.657 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.351 8.534 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.637 6.848 2.030 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.574 7.353 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.731 7.693 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.668 9.047 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.127 7.833 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.819 5.405 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.174 5.449 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.909 5.094 0.187 1.00 0.00 H new ATOM 146 N SER A 98 -4.311 9.123 1.696 1.00 0.00 N ATOM 147 CA SER A 98 -5.381 9.490 2.620 1.00 0.00 C ATOM 148 C SER A 98 -6.678 8.761 2.279 1.00 0.00 C ATOM 149 O SER A 98 -7.405 8.318 3.167 1.00 0.00 O ATOM 150 CB SER A 98 -5.610 11.002 2.592 1.00 0.00 C ATOM 151 OG SER A 98 -6.847 11.342 3.194 1.00 0.00 O ATOM 0 H SER A 98 -3.825 9.916 1.279 1.00 0.00 H new ATOM 0 HA SER A 98 -5.075 9.192 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.797 11.506 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.594 11.356 1.561 1.00 0.00 H new ATOM 0 HG SER A 98 -6.969 12.314 3.165 1.00 0.00 H new ATOM 157 N ASP A 99 -6.960 8.641 0.986 1.00 0.00 N ATOM 158 CA ASP A 99 -8.168 7.965 0.527 1.00 0.00 C ATOM 159 C ASP A 99 -7.955 6.455 0.444 1.00 0.00 C ATOM 160 O ASP A 99 -8.912 5.683 0.489 1.00 0.00 O ATOM 161 CB ASP A 99 -8.592 8.508 -0.839 1.00 0.00 C ATOM 162 CG ASP A 99 -9.377 9.800 -0.730 1.00 0.00 C ATOM 163 OD1 ASP A 99 -10.006 10.025 0.326 1.00 0.00 O ATOM 164 OD2 ASP A 99 -9.364 10.586 -1.700 1.00 0.00 O ATOM 0 H ASP A 99 -6.369 9.003 0.238 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.959 8.160 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.706 8.675 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.197 7.761 -1.352 1.00 0.00 H new ATOM 169 N LEU A 100 -6.698 6.041 0.318 1.00 0.00 N ATOM 170 CA LEU A 100 -6.367 4.623 0.225 1.00 0.00 C ATOM 171 C LEU A 100 -6.490 3.937 1.582 1.00 0.00 C ATOM 172 O LEU A 100 -7.003 2.822 1.678 1.00 0.00 O ATOM 173 CB LEU A 100 -4.950 4.443 -0.324 1.00 0.00 C ATOM 174 CG LEU A 100 -4.809 4.640 -1.836 1.00 0.00 C ATOM 175 CD1 LEU A 100 -3.351 4.853 -2.216 1.00 0.00 C ATOM 176 CD2 LEU A 100 -5.390 3.448 -2.582 1.00 0.00 C ATOM 0 H LEU A 100 -5.893 6.666 0.278 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.078 4.158 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.289 5.147 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.603 3.441 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.368 5.531 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.272 4.991 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.968 5.738 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.766 3.983 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.282 3.603 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.858 2.542 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.446 3.344 -2.335 1.00 0.00 H new ATOM 188 N PHE A 101 -6.014 4.604 2.631 1.00 0.00 N ATOM 189 CA PHE A 101 -6.073 4.047 3.979 1.00 0.00 C ATOM 190 C PHE A 101 -7.512 3.735 4.380 1.00 0.00 C ATOM 191 O PHE A 101 -7.810 2.640 4.857 1.00 0.00 O ATOM 192 CB PHE A 101 -5.451 5.014 4.989 1.00 0.00 C ATOM 193 CG PHE A 101 -5.102 4.366 6.299 1.00 0.00 C ATOM 194 CD1 PHE A 101 -4.197 3.316 6.351 1.00 0.00 C ATOM 195 CD2 PHE A 101 -5.678 4.808 7.479 1.00 0.00 C ATOM 196 CE1 PHE A 101 -3.876 2.719 7.557 1.00 0.00 C ATOM 197 CE2 PHE A 101 -5.361 4.215 8.686 1.00 0.00 C ATOM 198 CZ PHE A 101 -4.459 3.170 8.725 1.00 0.00 C ATOM 0 H PHE A 101 -5.585 5.527 2.573 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.503 3.118 3.980 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.550 5.450 4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -6.146 5.834 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.738 2.961 5.440 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.383 5.626 7.455 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.171 1.902 7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.818 4.568 9.598 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.210 2.706 9.668 1.00 0.00 H new ATOM 208 N ARG A 102 -8.399 4.705 4.186 1.00 0.00 N ATOM 209 CA ARG A 102 -9.807 4.535 4.530 1.00 0.00 C ATOM 210 C ARG A 102 -10.420 3.363 3.769 1.00 0.00 C ATOM 211 O ARG A 102 -11.345 2.712 4.254 1.00 0.00 O ATOM 212 CB ARG A 102 -10.585 5.817 4.228 1.00 0.00 C ATOM 213 CG ARG A 102 -10.601 6.805 5.383 1.00 0.00 C ATOM 214 CD ARG A 102 -11.062 8.182 4.933 1.00 0.00 C ATOM 215 NE ARG A 102 -9.939 9.069 4.641 1.00 0.00 N ATOM 216 CZ ARG A 102 -9.185 9.643 5.577 1.00 0.00 C ATOM 217 NH1 ARG A 102 -9.432 9.427 6.863 1.00 0.00 N ATOM 218 NH2 ARG A 102 -8.182 10.435 5.225 1.00 0.00 N ATOM 0 H ARG A 102 -8.168 5.617 3.792 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.869 4.321 5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.148 6.300 3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.611 5.557 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.262 6.438 6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.603 6.878 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.685 8.083 4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.683 8.628 5.710 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.719 9.260 3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.203 8.819 7.139 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.851 9.869 7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.988 10.604 4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.604 10.875 5.941 1.00 0.00 H new ATOM 232 N MET A 103 -9.899 3.100 2.575 1.00 0.00 N ATOM 233 CA MET A 103 -10.397 2.007 1.748 1.00 0.00 C ATOM 234 C MET A 103 -9.667 0.704 2.063 1.00 0.00 C ATOM 235 O MET A 103 -10.211 -0.384 1.876 1.00 0.00 O ATOM 236 CB MET A 103 -10.237 2.348 0.265 1.00 0.00 C ATOM 237 CG MET A 103 -11.371 1.831 -0.605 1.00 0.00 C ATOM 238 SD MET A 103 -11.827 2.985 -1.912 1.00 0.00 S ATOM 239 CE MET A 103 -10.588 2.604 -3.148 1.00 0.00 C ATOM 0 H MET A 103 -9.132 3.629 2.159 1.00 0.00 H new ATOM 0 HA MET A 103 -11.455 1.871 1.972 1.00 0.00 H new ATOM 0 HB2 MET A 103 -10.171 3.430 0.155 1.00 0.00 H new ATOM 0 HB3 MET A 103 -9.296 1.933 -0.095 1.00 0.00 H new ATOM 0 HG2 MET A 103 -11.077 0.881 -1.051 1.00 0.00 H new ATOM 0 HG3 MET A 103 -12.242 1.634 0.020 1.00 0.00 H new ATOM 0 HE1 MET A 103 -10.738 3.239 -4.021 1.00 0.00 H new ATOM 0 HE2 MET A 103 -9.595 2.783 -2.735 1.00 0.00 H new ATOM 0 HE3 MET A 103 -10.676 1.558 -3.441 1.00 0.00 H new ATOM 249 N PHE A 104 -8.432 0.821 2.540 1.00 0.00 N ATOM 250 CA PHE A 104 -7.629 -0.347 2.879 1.00 0.00 C ATOM 251 C PHE A 104 -8.025 -0.902 4.243 1.00 0.00 C ATOM 252 O PHE A 104 -8.104 -2.116 4.432 1.00 0.00 O ATOM 253 CB PHE A 104 -6.142 0.013 2.876 1.00 0.00 C ATOM 254 CG PHE A 104 -5.267 -1.048 2.273 1.00 0.00 C ATOM 255 CD1 PHE A 104 -4.984 -1.042 0.917 1.00 0.00 C ATOM 256 CD2 PHE A 104 -4.721 -2.048 3.061 1.00 0.00 C ATOM 257 CE1 PHE A 104 -4.178 -2.011 0.359 1.00 0.00 C ATOM 258 CE2 PHE A 104 -3.912 -3.021 2.505 1.00 0.00 C ATOM 259 CZ PHE A 104 -3.642 -3.001 1.153 1.00 0.00 C ATOM 0 H PHE A 104 -7.966 1.714 2.700 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.813 -1.114 2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.003 0.943 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.820 0.199 3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.400 -0.268 0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.930 -2.068 4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.967 -1.994 -0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.492 -3.796 3.129 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.011 -3.761 0.717 1.00 0.00 H new ATOM 269 N ASP A 105 -8.274 -0.004 5.191 1.00 0.00 N ATOM 270 CA ASP A 105 -8.661 -0.404 6.539 1.00 0.00 C ATOM 271 C ASP A 105 -10.076 -0.977 6.552 1.00 0.00 C ATOM 272 O ASP A 105 -10.984 -0.406 7.156 1.00 0.00 O ATOM 273 CB ASP A 105 -8.569 0.789 7.492 1.00 0.00 C ATOM 274 CG ASP A 105 -8.719 0.382 8.945 1.00 0.00 C ATOM 275 OD1 ASP A 105 -9.272 -0.709 9.201 1.00 0.00 O ATOM 276 OD2 ASP A 105 -8.284 1.152 9.826 1.00 0.00 O ATOM 0 H ASP A 105 -8.215 1.005 5.051 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.973 -1.180 6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.609 1.287 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.343 1.513 7.239 1.00 0.00 H new ATOM 281 N LYS A 106 -10.253 -2.111 5.881 1.00 0.00 N ATOM 282 CA LYS A 106 -11.555 -2.765 5.814 1.00 0.00 C ATOM 283 C LYS A 106 -12.027 -3.188 7.203 1.00 0.00 C ATOM 284 O LYS A 106 -13.227 -3.271 7.462 1.00 0.00 O ATOM 285 CB LYS A 106 -11.489 -3.984 4.892 1.00 0.00 C ATOM 286 CG LYS A 106 -11.021 -3.656 3.483 1.00 0.00 C ATOM 287 CD LYS A 106 -12.068 -2.861 2.720 1.00 0.00 C ATOM 288 CE LYS A 106 -12.117 -3.267 1.256 1.00 0.00 C ATOM 289 NZ LYS A 106 -13.116 -2.470 0.491 1.00 0.00 N ATOM 0 H LYS A 106 -9.511 -2.596 5.376 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.272 -2.050 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.815 -4.722 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.476 -4.444 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.093 -3.086 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.802 -4.579 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.047 -3.016 3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.846 -1.797 2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.131 -3.137 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.364 -4.326 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.118 -2.778 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.061 -2.614 0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.867 -1.461 0.541 1.00 0.00 H new ATOM 303 N ASN A 107 -11.074 -3.452 8.092 1.00 0.00 N ATOM 304 CA ASN A 107 -11.394 -3.864 9.454 1.00 0.00 C ATOM 305 C ASN A 107 -12.021 -2.713 10.234 1.00 0.00 C ATOM 306 O ASN A 107 -12.814 -2.930 11.150 1.00 0.00 O ATOM 307 CB ASN A 107 -10.134 -4.350 10.172 1.00 0.00 C ATOM 308 CG ASN A 107 -9.650 -5.689 9.652 1.00 0.00 C ATOM 309 OD1 ASN A 107 -10.396 -6.425 9.006 1.00 0.00 O ATOM 310 ND2 ASN A 107 -8.393 -6.012 9.933 1.00 0.00 N ATOM 0 H ASN A 107 -10.075 -3.388 7.894 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.113 -4.682 9.401 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.343 -3.610 10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.336 -4.430 11.240 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.010 -6.901 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.810 -5.371 10.472 1.00 0.00 H new ATOM 317 N ALA A 108 -11.658 -1.489 9.864 1.00 0.00 N ATOM 318 CA ALA A 108 -12.181 -0.302 10.527 1.00 0.00 C ATOM 319 C ALA A 108 -11.719 -0.236 11.979 1.00 0.00 C ATOM 320 O ALA A 108 -12.525 -0.044 12.891 1.00 0.00 O ATOM 321 CB ALA A 108 -13.701 -0.277 10.449 1.00 0.00 C ATOM 0 H ALA A 108 -11.003 -1.294 9.107 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.790 0.574 10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -14.076 0.616 10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -14.012 -0.266 9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.105 -1.163 10.938 1.00 0.00 H new ATOM 327 N ASP A 109 -10.416 -0.397 12.188 1.00 0.00 N ATOM 328 CA ASP A 109 -9.846 -0.356 13.530 1.00 0.00 C ATOM 329 C ASP A 109 -8.883 0.818 13.677 1.00 0.00 C ATOM 330 O ASP A 109 -8.808 1.441 14.736 1.00 0.00 O ATOM 331 CB ASP A 109 -9.124 -1.668 13.845 1.00 0.00 C ATOM 332 CG ASP A 109 -8.248 -2.139 12.701 1.00 0.00 C ATOM 333 OD1 ASP A 109 -7.433 -1.333 12.205 1.00 0.00 O ATOM 334 OD2 ASP A 109 -8.377 -3.316 12.301 1.00 0.00 O ATOM 0 H ASP A 109 -9.735 -0.557 11.445 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.663 -0.223 14.239 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.511 -1.536 14.737 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.861 -2.438 14.075 1.00 0.00 H new ATOM 339 N GLY A 110 -8.151 1.119 12.608 1.00 0.00 N ATOM 340 CA GLY A 110 -7.208 2.222 12.645 1.00 0.00 C ATOM 341 C GLY A 110 -5.875 1.885 12.003 1.00 0.00 C ATOM 342 O GLY A 110 -5.085 2.779 11.704 1.00 0.00 O ATOM 0 H GLY A 110 -8.194 0.620 11.719 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.643 3.082 12.136 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.042 2.516 13.681 1.00 0.00 H new ATOM 346 N TYR A 111 -5.620 0.596 11.792 1.00 0.00 N ATOM 347 CA TYR A 111 -4.366 0.154 11.185 1.00 0.00 C ATOM 348 C TYR A 111 -4.579 -1.116 10.366 1.00 0.00 C ATOM 349 O TYR A 111 -5.703 -1.604 10.243 1.00 0.00 O ATOM 350 CB TYR A 111 -3.299 -0.092 12.262 1.00 0.00 C ATOM 351 CG TYR A 111 -3.754 0.223 13.671 1.00 0.00 C ATOM 352 CD1 TYR A 111 -3.630 1.505 14.190 1.00 0.00 C ATOM 353 CD2 TYR A 111 -4.309 -0.761 14.479 1.00 0.00 C ATOM 354 CE1 TYR A 111 -4.044 1.798 15.474 1.00 0.00 C ATOM 355 CE2 TYR A 111 -4.726 -0.476 15.766 1.00 0.00 C ATOM 356 CZ TYR A 111 -4.592 0.805 16.258 1.00 0.00 C ATOM 357 OH TYR A 111 -5.006 1.093 17.538 1.00 0.00 O ATOM 0 H TYR A 111 -6.263 -0.159 12.031 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.019 0.945 10.520 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -2.988 -1.136 12.218 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -2.421 0.512 12.032 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.202 2.286 13.579 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -4.417 -1.765 14.096 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -3.939 2.800 15.862 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -5.154 -1.252 16.383 1.00 0.00 H new ATOM 0 HH TYR A 111 -5.369 0.284 17.954 1.00 0.00 H new ATOM 367 N ILE A 112 -3.494 -1.653 9.811 1.00 0.00 N ATOM 368 CA ILE A 112 -3.574 -2.871 9.010 1.00 0.00 C ATOM 369 C ILE A 112 -2.797 -4.008 9.666 1.00 0.00 C ATOM 370 O ILE A 112 -1.660 -3.827 10.100 1.00 0.00 O ATOM 371 CB ILE A 112 -3.031 -2.654 7.584 1.00 0.00 C ATOM 372 CG1 ILE A 112 -3.637 -1.391 6.965 1.00 0.00 C ATOM 373 CG2 ILE A 112 -3.320 -3.872 6.716 1.00 0.00 C ATOM 374 CD1 ILE A 112 -3.188 -1.138 5.540 1.00 0.00 C ATOM 0 H ILE A 112 -2.555 -1.266 9.901 1.00 0.00 H new ATOM 0 HA ILE A 112 -4.630 -3.136 8.948 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.951 -2.521 7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.724 -1.472 6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.370 -0.531 7.579 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.931 -3.704 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.840 -4.750 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.396 -4.035 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.657 -0.228 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.104 -1.025 5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.479 -1.980 4.912 1.00 0.00 H new ATOM 386 N ASP A 113 -3.420 -5.179 9.736 1.00 0.00 N ATOM 387 CA ASP A 113 -2.789 -6.346 10.342 1.00 0.00 C ATOM 388 C ASP A 113 -2.708 -7.500 9.346 1.00 0.00 C ATOM 389 O ASP A 113 -2.902 -7.310 8.145 1.00 0.00 O ATOM 390 CB ASP A 113 -3.565 -6.783 11.587 1.00 0.00 C ATOM 391 CG ASP A 113 -3.902 -5.618 12.497 1.00 0.00 C ATOM 392 OD1 ASP A 113 -3.017 -5.192 13.269 1.00 0.00 O ATOM 393 OD2 ASP A 113 -5.050 -5.130 12.438 1.00 0.00 O ATOM 0 H ASP A 113 -4.361 -5.346 9.381 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.775 -6.070 10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.486 -7.280 11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.976 -7.514 12.141 1.00 0.00 H new ATOM 398 N LEU A 114 -2.420 -8.695 9.852 1.00 0.00 N ATOM 399 CA LEU A 114 -2.312 -9.880 9.006 1.00 0.00 C ATOM 400 C LEU A 114 -3.591 -10.096 8.204 1.00 0.00 C ATOM 401 O LEU A 114 -3.544 -10.422 7.018 1.00 0.00 O ATOM 402 CB LEU A 114 -2.015 -11.115 9.859 1.00 0.00 C ATOM 403 CG LEU A 114 -0.532 -11.369 10.135 1.00 0.00 C ATOM 404 CD1 LEU A 114 -0.111 -10.705 11.437 1.00 0.00 C ATOM 405 CD2 LEU A 114 -0.246 -12.863 10.179 1.00 0.00 C ATOM 0 H LEU A 114 -2.257 -8.869 10.844 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.490 -9.723 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.534 -11.013 10.812 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.432 -11.991 9.361 1.00 0.00 H new ATOM 0 HG LEU A 114 0.050 -10.932 9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.947 -10.896 11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.279 -9.630 11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.699 -11.112 12.260 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.814 -13.025 10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.837 -13.323 10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.510 -13.312 9.221 1.00 0.00 H new ATOM 417 N GLU A 115 -4.733 -9.911 8.859 1.00 0.00 N ATOM 418 CA GLU A 115 -6.025 -10.085 8.204 1.00 0.00 C ATOM 419 C GLU A 115 -6.166 -9.129 7.025 1.00 0.00 C ATOM 420 O GLU A 115 -6.369 -9.555 5.888 1.00 0.00 O ATOM 421 CB GLU A 115 -7.162 -9.857 9.201 1.00 0.00 C ATOM 422 CG GLU A 115 -7.121 -10.837 10.358 1.00 0.00 C ATOM 423 OE1 GLU A 115 -7.754 -11.908 10.251 1.00 0.00 O ATOM 424 OE2 GLU A 115 -6.455 -10.533 11.370 1.00 0.00 O ATOM 0 H GLU A 115 -4.790 -9.641 9.841 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.082 -11.107 7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.104 -8.840 9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.118 -9.948 8.685 1.00 0.00 H new ATOM 429 N GLU A 116 -6.053 -7.834 7.303 1.00 0.00 N ATOM 430 CA GLU A 116 -6.163 -6.819 6.264 1.00 0.00 C ATOM 431 C GLU A 116 -5.060 -6.984 5.222 1.00 0.00 C ATOM 432 O GLU A 116 -5.203 -6.554 4.078 1.00 0.00 O ATOM 433 CB GLU A 116 -6.097 -5.419 6.877 1.00 0.00 C ATOM 434 CG GLU A 116 -7.459 -4.847 7.233 1.00 0.00 C ATOM 435 CD GLU A 116 -7.393 -3.855 8.377 1.00 0.00 C ATOM 436 OE1 GLU A 116 -6.611 -4.090 9.322 1.00 0.00 O ATOM 437 OE2 GLU A 116 -8.123 -2.843 8.327 1.00 0.00 O ATOM 0 H GLU A 116 -5.885 -7.464 8.239 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.126 -6.945 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.480 -5.453 7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.602 -4.747 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.884 -4.358 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.132 -5.661 7.501 1.00 0.00 H new ATOM 444 N LEU A 117 -3.959 -7.615 5.625 1.00 0.00 N ATOM 445 CA LEU A 117 -2.836 -7.841 4.723 1.00 0.00 C ATOM 446 C LEU A 117 -3.265 -8.657 3.505 1.00 0.00 C ATOM 447 O LEU A 117 -2.584 -8.662 2.481 1.00 0.00 O ATOM 448 CB LEU A 117 -1.697 -8.549 5.461 1.00 0.00 C ATOM 449 CG LEU A 117 -0.403 -7.743 5.583 1.00 0.00 C ATOM 450 CD1 LEU A 117 0.232 -7.546 4.216 1.00 0.00 C ATOM 451 CD2 LEU A 117 -0.671 -6.401 6.250 1.00 0.00 C ATOM 0 H LEU A 117 -3.822 -7.977 6.569 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.482 -6.871 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.040 -8.810 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.477 -9.484 4.946 1.00 0.00 H new ATOM 0 HG LEU A 117 0.294 -8.302 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.152 -6.971 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 117 0.460 -8.517 3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.460 -7.009 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.261 -5.841 6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.386 -5.834 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.080 -6.565 7.247 1.00 0.00 H new ATOM 463 N LYS A 118 -4.397 -9.342 3.620 1.00 0.00 N ATOM 464 CA LYS A 118 -4.915 -10.152 2.525 1.00 0.00 C ATOM 465 C LYS A 118 -5.539 -9.270 1.446 1.00 0.00 C ATOM 466 O LYS A 118 -5.610 -9.654 0.279 1.00 0.00 O ATOM 467 CB LYS A 118 -5.952 -11.144 3.055 1.00 0.00 C ATOM 468 CG LYS A 118 -6.584 -12.004 1.974 1.00 0.00 C ATOM 469 CD LYS A 118 -7.885 -12.625 2.453 1.00 0.00 C ATOM 470 CE LYS A 118 -8.905 -11.562 2.831 1.00 0.00 C ATOM 471 NZ LYS A 118 -10.290 -11.963 2.459 1.00 0.00 N ATOM 0 H LYS A 118 -4.974 -9.352 4.461 1.00 0.00 H new ATOM 0 HA LYS A 118 -4.085 -10.702 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.478 -11.793 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -6.737 -10.593 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.772 -11.398 1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -5.889 -12.791 1.680 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.295 -13.262 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -7.689 -13.265 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -8.856 -11.378 3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -8.653 -10.625 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -10.955 -11.212 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -10.343 -12.114 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.541 -12.844 2.952 1.00 0.00 H new ATOM 485 N ILE A 119 -5.993 -8.085 1.848 1.00 0.00 N ATOM 486 CA ILE A 119 -6.617 -7.140 0.926 1.00 0.00 C ATOM 487 C ILE A 119 -5.760 -6.929 -0.323 1.00 0.00 C ATOM 488 O ILE A 119 -6.240 -7.080 -1.446 1.00 0.00 O ATOM 489 CB ILE A 119 -6.878 -5.785 1.626 1.00 0.00 C ATOM 490 CG1 ILE A 119 -8.099 -5.897 2.540 1.00 0.00 C ATOM 491 CG2 ILE A 119 -7.074 -4.660 0.617 1.00 0.00 C ATOM 492 CD1 ILE A 119 -7.913 -5.226 3.881 1.00 0.00 C ATOM 0 H ILE A 119 -5.940 -7.755 2.812 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.571 -7.567 0.615 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.000 -5.541 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -8.960 -5.455 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -8.328 -6.951 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.255 -3.724 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.179 -4.562 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -7.929 -4.888 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -8.818 -5.345 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -7.072 -5.683 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -7.714 -4.165 3.732 1.00 0.00 H new ATOM 504 N MET A 120 -4.494 -6.580 -0.121 1.00 0.00 N ATOM 505 CA MET A 120 -3.581 -6.351 -1.239 1.00 0.00 C ATOM 506 C MET A 120 -3.526 -7.568 -2.156 1.00 0.00 C ATOM 507 O MET A 120 -3.466 -7.434 -3.377 1.00 0.00 O ATOM 508 CB MET A 120 -2.175 -6.012 -0.736 1.00 0.00 C ATOM 509 CG MET A 120 -1.748 -6.810 0.487 1.00 0.00 C ATOM 510 SD MET A 120 -1.921 -5.875 2.021 1.00 0.00 S ATOM 511 CE MET A 120 -0.880 -4.458 1.683 1.00 0.00 C ATOM 0 H MET A 120 -4.077 -6.450 0.801 1.00 0.00 H new ATOM 0 HA MET A 120 -3.962 -5.503 -1.808 1.00 0.00 H new ATOM 0 HB2 MET A 120 -1.460 -6.188 -1.540 1.00 0.00 H new ATOM 0 HB3 MET A 120 -2.132 -4.949 -0.497 1.00 0.00 H new ATOM 0 HG2 MET A 120 -2.346 -7.719 0.550 1.00 0.00 H new ATOM 0 HG3 MET A 120 -0.710 -7.120 0.370 1.00 0.00 H new ATOM 0 HE1 MET A 120 -1.337 -3.562 2.103 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.100 -4.611 2.135 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.768 -4.337 0.605 1.00 0.00 H new ATOM 521 N LEU A 121 -3.555 -8.758 -1.561 1.00 0.00 N ATOM 522 CA LEU A 121 -3.514 -9.996 -2.333 1.00 0.00 C ATOM 523 C LEU A 121 -4.649 -10.031 -3.352 1.00 0.00 C ATOM 524 O LEU A 121 -4.506 -10.595 -4.437 1.00 0.00 O ATOM 525 CB LEU A 121 -3.601 -11.209 -1.403 1.00 0.00 C ATOM 526 CG LEU A 121 -2.320 -12.038 -1.302 1.00 0.00 C ATOM 527 CD1 LEU A 121 -2.483 -13.149 -0.277 1.00 0.00 C ATOM 528 CD2 LEU A 121 -1.951 -12.612 -2.661 1.00 0.00 C ATOM 0 H LEU A 121 -3.607 -8.891 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.566 -10.034 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.873 -10.864 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.408 -11.855 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.511 -11.386 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.562 -13.728 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.701 -12.715 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.304 -13.802 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.037 -13.199 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.759 -13.250 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.792 -11.798 -3.369 1.00 0.00 H new ATOM 540 N GLN A 122 -5.772 -9.413 -3.005 1.00 0.00 N ATOM 541 CA GLN A 122 -6.919 -9.363 -3.903 1.00 0.00 C ATOM 542 C GLN A 122 -6.529 -8.704 -5.224 1.00 0.00 C ATOM 543 O GLN A 122 -7.166 -8.922 -6.254 1.00 0.00 O ATOM 544 CB GLN A 122 -8.074 -8.598 -3.252 1.00 0.00 C ATOM 545 CG GLN A 122 -9.426 -9.267 -3.434 1.00 0.00 C ATOM 546 CD GLN A 122 -10.528 -8.276 -3.755 1.00 0.00 C ATOM 547 OE1 GLN A 122 -11.104 -8.300 -4.843 1.00 0.00 O ATOM 548 NE2 GLN A 122 -10.828 -7.397 -2.806 1.00 0.00 N ATOM 0 H GLN A 122 -5.912 -8.941 -2.112 1.00 0.00 H new ATOM 0 HA GLN A 122 -7.246 -10.383 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -7.872 -8.490 -2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.116 -7.593 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.359 -10.002 -4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.684 -9.810 -2.525 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -10.325 -7.413 -1.919 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -11.561 -6.706 -2.964 1.00 0.00 H new ATOM 557 N ALA A 123 -5.470 -7.899 -5.180 1.00 0.00 N ATOM 558 CA ALA A 123 -4.977 -7.205 -6.362 1.00 0.00 C ATOM 559 C ALA A 123 -4.512 -8.194 -7.424 1.00 0.00 C ATOM 560 O ALA A 123 -4.749 -7.999 -8.616 1.00 0.00 O ATOM 561 CB ALA A 123 -3.836 -6.277 -5.981 1.00 0.00 C ATOM 0 H ALA A 123 -4.935 -7.712 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.796 -6.618 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -3.473 -5.762 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -4.190 -5.544 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.025 -6.858 -5.542 1.00 0.00 H new ATOM 567 N THR A 124 -3.844 -9.254 -6.982 1.00 0.00 N ATOM 568 CA THR A 124 -3.339 -10.271 -7.894 1.00 0.00 C ATOM 569 C THR A 124 -4.370 -11.376 -8.101 1.00 0.00 C ATOM 570 O THR A 124 -4.621 -11.801 -9.229 1.00 0.00 O ATOM 571 CB THR A 124 -2.029 -10.857 -7.362 1.00 0.00 C ATOM 572 OG1 THR A 124 -1.396 -11.647 -8.352 1.00 0.00 O ATOM 573 CG2 THR A 124 -2.203 -11.718 -6.128 1.00 0.00 C ATOM 0 H THR A 124 -3.640 -9.430 -5.998 1.00 0.00 H new ATOM 0 HA THR A 124 -3.147 -9.800 -8.858 1.00 0.00 H new ATOM 0 HB THR A 124 -1.421 -9.994 -7.092 1.00 0.00 H new ATOM 0 HG1 THR A 124 -0.458 -11.376 -8.436 1.00 0.00 H new ATOM 0 HG21 THR A 124 -1.232 -12.098 -5.809 1.00 0.00 H new ATOM 0 HG22 THR A 124 -2.640 -11.122 -5.327 1.00 0.00 H new ATOM 0 HG23 THR A 124 -2.862 -12.555 -6.358 1.00 0.00 H new ATOM 581 N GLY A 125 -4.965 -11.833 -7.006 1.00 0.00 N ATOM 582 CA GLY A 125 -5.964 -12.880 -7.089 1.00 0.00 C ATOM 583 C GLY A 125 -5.380 -14.266 -6.889 1.00 0.00 C ATOM 584 O GLY A 125 -6.041 -15.148 -6.341 1.00 0.00 O ATOM 0 H GLY A 125 -4.773 -11.497 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -6.733 -12.703 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -6.453 -12.833 -8.062 1.00 0.00 H new ATOM 588 N GLU A 126 -4.142 -14.463 -7.335 1.00 0.00 N ATOM 589 CA GLU A 126 -3.481 -15.758 -7.198 1.00 0.00 C ATOM 590 C GLU A 126 -2.067 -15.721 -7.769 1.00 0.00 C ATOM 591 O GLU A 126 -1.861 -15.334 -8.919 1.00 0.00 O ATOM 592 CB GLU A 126 -4.296 -16.847 -7.900 1.00 0.00 C ATOM 593 CG GLU A 126 -4.589 -16.542 -9.360 1.00 0.00 C ATOM 594 CD GLU A 126 -6.073 -16.541 -9.672 1.00 0.00 C ATOM 595 OE1 GLU A 126 -6.747 -15.540 -9.348 1.00 0.00 O ATOM 596 OE2 GLU A 126 -6.561 -17.541 -10.238 1.00 0.00 O ATOM 0 H GLU A 126 -3.578 -13.746 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 126 -3.414 -15.987 -6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -3.756 -17.791 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -5.239 -16.983 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -4.168 -15.570 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -4.090 -17.280 -9.988 1.00 0.00 H new ATOM 603 N THR A 127 -1.099 -16.136 -6.956 1.00 0.00 N ATOM 604 CA THR A 127 0.304 -16.164 -7.367 1.00 0.00 C ATOM 605 C THR A 127 1.199 -16.594 -6.208 1.00 0.00 C ATOM 606 O THR A 127 2.222 -17.248 -6.409 1.00 0.00 O ATOM 607 CB THR A 127 0.748 -14.793 -7.885 1.00 0.00 C ATOM 608 OG1 THR A 127 2.101 -14.831 -8.302 1.00 0.00 O ATOM 609 CG2 THR A 127 0.618 -13.690 -6.858 1.00 0.00 C ATOM 0 H THR A 127 -1.261 -16.460 -6.002 1.00 0.00 H new ATOM 0 HA THR A 127 0.399 -16.891 -8.174 1.00 0.00 H new ATOM 0 HB THR A 127 0.081 -14.571 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.367 -13.947 -8.631 1.00 0.00 H new ATOM 0 HG21 THR A 127 0.950 -12.747 -7.293 1.00 0.00 H new ATOM 0 HG22 THR A 127 -0.424 -13.601 -6.550 1.00 0.00 H new ATOM 0 HG23 THR A 127 1.234 -13.926 -5.990 1.00 0.00 H new ATOM 617 N ILE A 128 0.803 -16.222 -4.994 1.00 0.00 N ATOM 618 CA ILE A 128 1.564 -16.567 -3.797 1.00 0.00 C ATOM 619 C ILE A 128 0.623 -16.870 -2.630 1.00 0.00 C ATOM 620 O ILE A 128 0.259 -18.024 -2.402 1.00 0.00 O ATOM 621 CB ILE A 128 2.539 -15.435 -3.392 1.00 0.00 C ATOM 622 CG1 ILE A 128 2.067 -14.088 -3.943 1.00 0.00 C ATOM 623 CG2 ILE A 128 3.944 -15.739 -3.884 1.00 0.00 C ATOM 624 CD1 ILE A 128 2.806 -12.907 -3.357 1.00 0.00 C ATOM 0 H ILE A 128 -0.042 -15.681 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 128 2.149 -17.456 -4.033 1.00 0.00 H new ATOM 0 HB ILE A 128 2.555 -15.376 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.191 -14.083 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 128 1.001 -13.976 -3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 128 4.615 -14.932 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 128 4.288 -16.676 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.938 -15.828 -4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 128 2.421 -11.985 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 128 2.662 -12.887 -2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 128 3.869 -12.996 -3.579 1.00 0.00 H new ATOM 636 N THR A 129 0.222 -15.828 -1.904 1.00 0.00 N ATOM 637 CA THR A 129 -0.685 -15.980 -0.771 1.00 0.00 C ATOM 638 C THR A 129 -0.118 -16.935 0.276 1.00 0.00 C ATOM 639 O THR A 129 0.744 -17.762 -0.021 1.00 0.00 O ATOM 640 CB THR A 129 -2.051 -16.481 -1.246 1.00 0.00 C ATOM 641 OG1 THR A 129 -2.030 -17.883 -1.450 1.00 0.00 O ATOM 642 CG2 THR A 129 -2.513 -15.835 -2.536 1.00 0.00 C ATOM 0 H THR A 129 0.513 -14.867 -2.082 1.00 0.00 H new ATOM 0 HA THR A 129 -0.801 -15.000 -0.308 1.00 0.00 H new ATOM 0 HB THR A 129 -2.748 -16.208 -0.453 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.420 -18.097 -2.186 1.00 0.00 H new ATOM 0 HG21 THR A 129 -3.488 -16.236 -2.815 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.591 -14.757 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 129 -1.794 -16.047 -3.327 1.00 0.00 H new ATOM 650 N GLU A 130 -0.614 -16.812 1.503 1.00 0.00 N ATOM 651 CA GLU A 130 -0.171 -17.660 2.605 1.00 0.00 C ATOM 652 C GLU A 130 1.350 -17.643 2.746 1.00 0.00 C ATOM 653 O GLU A 130 1.944 -18.589 3.263 1.00 0.00 O ATOM 654 CB GLU A 130 -0.654 -19.095 2.394 1.00 0.00 C ATOM 655 CG GLU A 130 -2.114 -19.305 2.762 1.00 0.00 C ATOM 656 CD GLU A 130 -2.857 -20.148 1.743 1.00 0.00 C ATOM 657 OE1 GLU A 130 -2.818 -21.391 1.858 1.00 0.00 O ATOM 658 OE2 GLU A 130 -3.477 -19.564 0.829 1.00 0.00 O ATOM 0 H GLU A 130 -1.327 -16.129 1.760 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.603 -17.263 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.508 -19.369 1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.037 -19.768 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.173 -19.786 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.605 -18.336 2.854 1.00 0.00 H new ATOM 665 N ASP A 131 1.974 -16.565 2.286 1.00 0.00 N ATOM 666 CA ASP A 131 3.423 -16.429 2.364 1.00 0.00 C ATOM 667 C ASP A 131 3.826 -14.961 2.323 1.00 0.00 C ATOM 668 O ASP A 131 4.494 -14.463 3.229 1.00 0.00 O ATOM 669 CB ASP A 131 4.093 -17.188 1.217 1.00 0.00 C ATOM 670 CG ASP A 131 5.606 -17.185 1.326 1.00 0.00 C ATOM 671 OD1 ASP A 131 6.119 -17.243 2.464 1.00 0.00 O ATOM 672 OD2 ASP A 131 6.276 -17.123 0.275 1.00 0.00 O ATOM 0 H ASP A 131 1.499 -15.772 1.855 1.00 0.00 H new ATOM 0 HA ASP A 131 3.755 -16.856 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 131 3.734 -18.217 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.799 -16.740 0.268 1.00 0.00 H new ATOM 677 N ASP A 132 3.405 -14.270 1.270 1.00 0.00 N ATOM 678 CA ASP A 132 3.713 -12.854 1.114 1.00 0.00 C ATOM 679 C ASP A 132 2.962 -12.023 2.150 1.00 0.00 C ATOM 680 O ASP A 132 3.357 -10.901 2.464 1.00 0.00 O ATOM 681 CB ASP A 132 3.350 -12.385 -0.296 1.00 0.00 C ATOM 682 CG ASP A 132 4.387 -11.444 -0.877 1.00 0.00 C ATOM 683 OD1 ASP A 132 4.476 -10.292 -0.402 1.00 0.00 O ATOM 684 OD2 ASP A 132 5.110 -11.859 -1.807 1.00 0.00 O ATOM 0 H ASP A 132 2.850 -14.667 0.512 1.00 0.00 H new ATOM 0 HA ASP A 132 4.783 -12.717 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.244 -13.252 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.382 -11.884 -0.271 1.00 0.00 H new ATOM 689 N ILE A 133 1.878 -12.583 2.678 1.00 0.00 N ATOM 690 CA ILE A 133 1.071 -11.900 3.678 1.00 0.00 C ATOM 691 C ILE A 133 1.852 -11.698 4.972 1.00 0.00 C ATOM 692 O ILE A 133 1.787 -10.635 5.589 1.00 0.00 O ATOM 693 CB ILE A 133 -0.216 -12.689 3.980 1.00 0.00 C ATOM 694 CG1 ILE A 133 -0.934 -13.035 2.668 1.00 0.00 C ATOM 695 CG2 ILE A 133 -1.117 -11.892 4.915 1.00 0.00 C ATOM 696 CD1 ILE A 133 -2.437 -13.168 2.796 1.00 0.00 C ATOM 0 H ILE A 133 1.539 -13.512 2.427 1.00 0.00 H new ATOM 0 HA ILE A 133 0.806 -10.925 3.268 1.00 0.00 H new ATOM 0 HB ILE A 133 0.041 -13.621 4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.711 -12.264 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.530 -13.971 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -2.023 -12.462 5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -0.591 -11.698 5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -1.382 -10.945 4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.865 -13.413 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -2.673 -13.960 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -2.857 -12.226 3.150 1.00 0.00 H new ATOM 708 N GLU A 134 2.589 -12.727 5.379 1.00 0.00 N ATOM 709 CA GLU A 134 3.382 -12.666 6.602 1.00 0.00 C ATOM 710 C GLU A 134 4.695 -11.922 6.372 1.00 0.00 C ATOM 711 O GLU A 134 5.258 -11.338 7.299 1.00 0.00 O ATOM 712 CB GLU A 134 3.666 -14.078 7.118 1.00 0.00 C ATOM 713 CG GLU A 134 2.676 -14.552 8.169 1.00 0.00 C ATOM 714 CD GLU A 134 2.490 -16.056 8.159 1.00 0.00 C ATOM 715 OE1 GLU A 134 3.326 -16.762 8.762 1.00 0.00 O ATOM 716 OE2 GLU A 134 1.509 -16.529 7.548 1.00 0.00 O ATOM 0 H GLU A 134 2.654 -13.614 4.879 1.00 0.00 H new ATOM 0 HA GLU A 134 2.807 -12.119 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.652 -14.773 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.671 -14.107 7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.021 -14.239 9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 134 1.713 -14.070 8.000 1.00 0.00 H new ATOM 723 N GLU A 135 5.182 -11.951 5.136 1.00 0.00 N ATOM 724 CA GLU A 135 6.433 -11.283 4.792 1.00 0.00 C ATOM 725 C GLU A 135 6.198 -9.815 4.445 1.00 0.00 C ATOM 726 O GLU A 135 7.024 -8.955 4.752 1.00 0.00 O ATOM 727 CB GLU A 135 7.108 -11.997 3.618 1.00 0.00 C ATOM 728 CG GLU A 135 8.579 -12.301 3.855 1.00 0.00 C ATOM 729 CD GLU A 135 8.884 -13.786 3.810 1.00 0.00 C ATOM 730 OE1 GLU A 135 8.511 -14.438 2.812 1.00 0.00 O ATOM 731 OE2 GLU A 135 9.495 -14.296 4.772 1.00 0.00 O ATOM 0 H GLU A 135 4.730 -12.429 4.356 1.00 0.00 H new ATOM 0 HA GLU A 135 7.088 -11.326 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 135 6.580 -12.930 3.419 1.00 0.00 H new ATOM 0 HB3 GLU A 135 7.012 -11.380 2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 135 9.178 -11.788 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.877 -11.902 4.825 1.00 0.00 H new ATOM 738 N LEU A 136 5.070 -9.537 3.803 1.00 0.00 N ATOM 739 CA LEU A 136 4.728 -8.174 3.411 1.00 0.00 C ATOM 740 C LEU A 136 4.555 -7.279 4.634 1.00 0.00 C ATOM 741 O LEU A 136 5.154 -6.207 4.721 1.00 0.00 O ATOM 742 CB LEU A 136 3.446 -8.169 2.574 1.00 0.00 C ATOM 743 CG LEU A 136 2.899 -6.782 2.225 1.00 0.00 C ATOM 744 CD1 LEU A 136 4.017 -5.877 1.734 1.00 0.00 C ATOM 745 CD2 LEU A 136 1.800 -6.890 1.180 1.00 0.00 C ATOM 0 H LEU A 136 4.376 -10.237 3.542 1.00 0.00 H new ATOM 0 HA LEU A 136 5.548 -7.780 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 136 3.634 -8.711 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.676 -8.720 3.115 1.00 0.00 H new ATOM 0 HG LEU A 136 2.473 -6.342 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.610 -4.896 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.771 -5.774 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 136 4.473 -6.312 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.423 -5.895 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.201 -7.350 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.987 -7.503 1.569 1.00 0.00 H new ATOM 757 N MET A 137 3.728 -7.726 5.573 1.00 0.00 N ATOM 758 CA MET A 137 3.462 -6.971 6.796 1.00 0.00 C ATOM 759 C MET A 137 4.752 -6.432 7.411 1.00 0.00 C ATOM 760 O MET A 137 4.751 -5.387 8.061 1.00 0.00 O ATOM 761 CB MET A 137 2.732 -7.851 7.813 1.00 0.00 C ATOM 762 CG MET A 137 2.131 -7.071 8.970 1.00 0.00 C ATOM 763 SD MET A 137 0.864 -8.002 9.852 1.00 0.00 S ATOM 764 CE MET A 137 0.502 -6.884 11.204 1.00 0.00 C ATOM 0 H MET A 137 3.227 -8.612 5.511 1.00 0.00 H new ATOM 0 HA MET A 137 2.831 -6.123 6.531 1.00 0.00 H new ATOM 0 HB2 MET A 137 1.939 -8.399 7.304 1.00 0.00 H new ATOM 0 HB3 MET A 137 3.429 -8.591 8.207 1.00 0.00 H new ATOM 0 HG2 MET A 137 2.923 -6.793 9.666 1.00 0.00 H new ATOM 0 HG3 MET A 137 1.699 -6.144 8.593 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.361 -7.251 11.759 1.00 0.00 H new ATOM 0 HE2 MET A 137 1.363 -6.827 11.869 1.00 0.00 H new ATOM 0 HE3 MET A 137 0.283 -5.892 10.808 1.00 0.00 H new ATOM 774 N LYS A 138 5.851 -7.151 7.202 1.00 0.00 N ATOM 775 CA LYS A 138 7.145 -6.742 7.736 1.00 0.00 C ATOM 776 C LYS A 138 7.504 -5.330 7.279 1.00 0.00 C ATOM 777 O LYS A 138 8.223 -4.608 7.969 1.00 0.00 O ATOM 778 CB LYS A 138 8.234 -7.724 7.299 1.00 0.00 C ATOM 779 CG LYS A 138 9.506 -7.631 8.127 1.00 0.00 C ATOM 780 CD LYS A 138 10.612 -8.498 7.548 1.00 0.00 C ATOM 781 CE LYS A 138 11.688 -8.791 8.581 1.00 0.00 C ATOM 782 NZ LYS A 138 12.989 -9.137 7.944 1.00 0.00 N ATOM 0 H LYS A 138 5.871 -8.019 6.667 1.00 0.00 H new ATOM 0 HA LYS A 138 7.077 -6.745 8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 138 7.843 -8.739 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 138 8.478 -7.541 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 138 9.839 -6.594 8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 138 9.298 -7.940 9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 138 10.189 -9.435 7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 138 11.058 -7.996 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 138 11.819 -7.922 9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 138 11.365 -9.614 9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 13.696 -9.330 8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 12.870 -9.982 7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 13.310 -8.341 7.356 1.00 0.00 H new ATOM 796 N ASP A 139 6.997 -4.943 6.112 1.00 0.00 N ATOM 797 CA ASP A 139 7.264 -3.618 5.565 1.00 0.00 C ATOM 798 C ASP A 139 6.365 -2.570 6.214 1.00 0.00 C ATOM 799 O ASP A 139 6.833 -1.512 6.635 1.00 0.00 O ATOM 800 CB ASP A 139 7.054 -3.618 4.049 1.00 0.00 C ATOM 801 CG ASP A 139 7.829 -2.512 3.359 1.00 0.00 C ATOM 802 OD1 ASP A 139 7.345 -1.360 3.357 1.00 0.00 O ATOM 803 OD2 ASP A 139 8.918 -2.798 2.820 1.00 0.00 O ATOM 0 H ASP A 139 6.400 -5.528 5.528 1.00 0.00 H new ATOM 0 HA ASP A 139 8.302 -3.365 5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 139 7.361 -4.582 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 139 5.992 -3.504 3.832 1.00 0.00 H new ATOM 808 N GLY A 140 5.073 -2.871 6.292 1.00 0.00 N ATOM 809 CA GLY A 140 4.131 -1.944 6.892 1.00 0.00 C ATOM 810 C GLY A 140 4.456 -1.648 8.342 1.00 0.00 C ATOM 811 O GLY A 140 4.590 -0.488 8.731 1.00 0.00 O ATOM 0 H GLY A 140 4.662 -3.740 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 140 4.131 -1.013 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 140 3.125 -2.358 6.825 1.00 0.00 H new ATOM 815 N ASP A 141 4.582 -2.700 9.143 1.00 0.00 N ATOM 816 CA ASP A 141 4.892 -2.549 10.559 1.00 0.00 C ATOM 817 C ASP A 141 6.366 -2.840 10.827 1.00 0.00 C ATOM 818 O ASP A 141 6.794 -3.994 10.812 1.00 0.00 O ATOM 819 CB ASP A 141 4.014 -3.482 11.394 1.00 0.00 C ATOM 820 CG ASP A 141 4.184 -3.255 12.884 1.00 0.00 C ATOM 821 OD1 ASP A 141 3.862 -2.144 13.356 1.00 0.00 O ATOM 822 OD2 ASP A 141 4.639 -4.188 13.578 1.00 0.00 O ATOM 0 H ASP A 141 4.474 -3.667 8.836 1.00 0.00 H new ATOM 0 HA ASP A 141 4.688 -1.517 10.844 1.00 0.00 H new ATOM 0 HB2 ASP A 141 2.969 -3.332 11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 141 4.260 -4.517 11.156 1.00 0.00 H new ATOM 827 N LYS A 142 7.137 -1.785 11.068 1.00 0.00 N ATOM 828 CA LYS A 142 8.564 -1.925 11.338 1.00 0.00 C ATOM 829 C LYS A 142 8.910 -1.403 12.730 1.00 0.00 C ATOM 830 O LYS A 142 9.996 -0.871 12.953 1.00 0.00 O ATOM 831 CB LYS A 142 9.377 -1.177 10.278 1.00 0.00 C ATOM 832 CG LYS A 142 10.113 -2.096 9.315 1.00 0.00 C ATOM 833 CD LYS A 142 11.621 -1.921 9.415 1.00 0.00 C ATOM 834 CE LYS A 142 12.295 -2.113 8.067 1.00 0.00 C ATOM 835 NZ LYS A 142 12.114 -3.497 7.548 1.00 0.00 N ATOM 0 H LYS A 142 6.798 -0.823 11.082 1.00 0.00 H new ATOM 0 HA LYS A 142 8.816 -2.985 11.298 1.00 0.00 H new ATOM 0 HB2 LYS A 142 8.709 -0.529 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 142 10.101 -0.531 10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 142 9.852 -3.132 9.529 1.00 0.00 H new ATOM 0 HG3 LYS A 142 9.789 -1.889 8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.848 -0.926 9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 142 12.025 -2.638 10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.885 -1.400 7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 142 13.359 -1.896 8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.658 -3.612 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 12.451 -4.180 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.106 -3.667 7.356 1.00 0.00 H new ATOM 849 N ASN A 143 7.977 -1.562 13.662 1.00 0.00 N ATOM 850 CA ASN A 143 8.182 -1.109 15.034 1.00 0.00 C ATOM 851 C ASN A 143 8.037 -2.261 16.027 1.00 0.00 C ATOM 852 O ASN A 143 8.102 -2.055 17.239 1.00 0.00 O ATOM 853 CB ASN A 143 7.187 0.001 15.377 1.00 0.00 C ATOM 854 CG ASN A 143 7.633 1.356 14.864 1.00 0.00 C ATOM 855 OD1 ASN A 143 8.782 1.756 15.051 1.00 0.00 O ATOM 856 ND2 ASN A 143 6.723 2.071 14.212 1.00 0.00 N ATOM 0 H ASN A 143 7.072 -2.001 13.493 1.00 0.00 H new ATOM 0 HA ASN A 143 9.198 -0.721 15.110 1.00 0.00 H new ATOM 0 HB2 ASN A 143 6.214 -0.243 14.951 1.00 0.00 H new ATOM 0 HB3 ASN A 143 7.059 0.049 16.458 1.00 0.00 H new ATOM 0 HD21 ASN A 143 6.965 2.991 13.843 1.00 0.00 H new ATOM 0 HD22 ASN A 143 5.782 1.700 14.080 1.00 0.00 H new ATOM 863 N ASN A 144 7.842 -3.474 15.513 1.00 0.00 N ATOM 864 CA ASN A 144 7.692 -4.647 16.364 1.00 0.00 C ATOM 865 C ASN A 144 6.499 -4.487 17.304 1.00 0.00 C ATOM 866 O ASN A 144 6.663 -4.340 18.516 1.00 0.00 O ATOM 867 CB ASN A 144 8.973 -4.880 17.169 1.00 0.00 C ATOM 868 CG ASN A 144 9.815 -6.006 16.602 1.00 0.00 C ATOM 869 OD1 ASN A 144 9.794 -6.268 15.399 1.00 0.00 O ATOM 870 ND2 ASN A 144 10.563 -6.680 17.468 1.00 0.00 N ATOM 0 H ASN A 144 7.785 -3.667 14.513 1.00 0.00 H new ATOM 0 HA ASN A 144 7.511 -5.513 15.727 1.00 0.00 H new ATOM 0 HB2 ASN A 144 9.561 -3.962 17.184 1.00 0.00 H new ATOM 0 HB3 ASN A 144 8.713 -5.109 18.202 1.00 0.00 H new ATOM 0 HD21 ASN A 144 11.150 -7.449 17.145 1.00 0.00 H new ATOM 0 HD22 ASN A 144 10.550 -6.429 18.457 1.00 0.00 H new ATOM 877 N ASP A 145 5.299 -4.516 16.736 1.00 0.00 N ATOM 878 CA ASP A 145 4.077 -4.374 17.520 1.00 0.00 C ATOM 879 C ASP A 145 2.894 -5.017 16.804 1.00 0.00 C ATOM 880 O ASP A 145 2.110 -5.747 17.411 1.00 0.00 O ATOM 881 CB ASP A 145 3.785 -2.896 17.786 1.00 0.00 C ATOM 882 CG ASP A 145 3.922 -2.044 16.538 1.00 0.00 C ATOM 883 OD1 ASP A 145 5.044 -1.964 15.995 1.00 0.00 O ATOM 884 OD2 ASP A 145 2.908 -1.458 16.104 1.00 0.00 O ATOM 0 H ASP A 145 5.146 -4.637 15.735 1.00 0.00 H new ATOM 0 HA ASP A 145 4.224 -4.885 18.472 1.00 0.00 H new ATOM 0 HB2 ASP A 145 2.775 -2.794 18.183 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.467 -2.526 18.552 1.00 0.00 H new ATOM 889 N GLY A 146 2.771 -4.739 15.510 1.00 0.00 N ATOM 890 CA GLY A 146 1.681 -5.297 14.732 1.00 0.00 C ATOM 891 C GLY A 146 0.570 -4.294 14.490 1.00 0.00 C ATOM 892 O GLY A 146 -0.609 -4.645 14.517 1.00 0.00 O ATOM 0 H GLY A 146 3.407 -4.137 14.987 1.00 0.00 H new ATOM 0 HA2 GLY A 146 2.065 -5.648 13.774 1.00 0.00 H new ATOM 0 HA3 GLY A 146 1.276 -6.166 15.251 1.00 0.00 H new ATOM 896 N ARG A 147 0.948 -3.042 14.253 1.00 0.00 N ATOM 897 CA ARG A 147 -0.024 -1.983 14.007 1.00 0.00 C ATOM 898 C ARG A 147 0.524 -0.959 13.017 1.00 0.00 C ATOM 899 O ARG A 147 1.400 -0.163 13.355 1.00 0.00 O ATOM 900 CB ARG A 147 -0.398 -1.290 15.319 1.00 0.00 C ATOM 901 CG ARG A 147 -1.441 -2.042 16.130 1.00 0.00 C ATOM 902 CD ARG A 147 -1.348 -1.703 17.609 1.00 0.00 C ATOM 903 NE ARG A 147 -1.294 -0.261 17.840 1.00 0.00 N ATOM 904 CZ ARG A 147 -1.398 0.301 19.042 1.00 0.00 C ATOM 905 NH1 ARG A 147 -1.563 -0.451 20.123 1.00 0.00 N ATOM 906 NH2 ARG A 147 -1.337 1.621 19.163 1.00 0.00 N ATOM 0 H ARG A 147 1.921 -2.736 14.226 1.00 0.00 H new ATOM 0 HA ARG A 147 -0.916 -2.437 13.576 1.00 0.00 H new ATOM 0 HB2 ARG A 147 0.500 -1.167 15.924 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.773 -0.291 15.098 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -2.437 -1.796 15.761 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.306 -3.115 15.992 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.208 -2.121 18.131 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.459 -2.171 18.033 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.169 0.350 17.033 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.611 -1.466 20.036 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.642 -0.014 21.041 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.211 2.204 18.335 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.417 2.053 20.084 1.00 0.00 H new ATOM 920 N ILE A 148 0.002 -0.984 11.795 1.00 0.00 N ATOM 921 CA ILE A 148 0.439 -0.057 10.759 1.00 0.00 C ATOM 922 C ILE A 148 -0.705 0.865 10.342 1.00 0.00 C ATOM 923 O ILE A 148 -1.764 0.400 9.921 1.00 0.00 O ATOM 924 CB ILE A 148 0.983 -0.819 9.528 1.00 0.00 C ATOM 925 CG1 ILE A 148 1.857 0.097 8.674 1.00 0.00 C ATOM 926 CG2 ILE A 148 -0.146 -1.405 8.696 1.00 0.00 C ATOM 927 CD1 ILE A 148 1.094 1.228 8.021 1.00 0.00 C ATOM 0 H ILE A 148 -0.724 -1.636 11.499 1.00 0.00 H new ATOM 0 HA ILE A 148 1.244 0.550 11.173 1.00 0.00 H new ATOM 0 HB ILE A 148 1.594 -1.646 9.891 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.647 0.516 9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 148 2.343 -0.497 7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.270 -1.934 7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -0.724 -2.100 9.305 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.795 -0.602 8.347 1.00 0.00 H new ATOM 0 HD11 ILE A 148 1.779 1.836 7.431 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.321 0.818 7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 148 0.631 1.846 8.790 1.00 0.00 H new ATOM 939 N ASP A 149 -0.497 2.173 10.476 1.00 0.00 N ATOM 940 CA ASP A 149 -1.533 3.138 10.123 1.00 0.00 C ATOM 941 C ASP A 149 -0.947 4.472 9.665 1.00 0.00 C ATOM 942 O ASP A 149 -0.042 5.015 10.296 1.00 0.00 O ATOM 943 CB ASP A 149 -2.461 3.368 11.317 1.00 0.00 C ATOM 944 CG ASP A 149 -1.740 3.986 12.500 1.00 0.00 C ATOM 945 OD1 ASP A 149 -0.496 3.883 12.557 1.00 0.00 O ATOM 946 OD2 ASP A 149 -2.419 4.573 13.368 1.00 0.00 O ATOM 0 H ASP A 149 0.370 2.585 10.822 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.095 2.719 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -3.282 4.018 11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -2.901 2.418 11.619 1.00 0.00 H new ATOM 951 N TYR A 150 -1.498 4.993 8.569 1.00 0.00 N ATOM 952 CA TYR A 150 -1.080 6.276 7.997 1.00 0.00 C ATOM 953 C TYR A 150 0.440 6.471 8.028 1.00 0.00 C ATOM 954 O TYR A 150 1.123 6.191 7.043 1.00 0.00 O ATOM 955 CB TYR A 150 -1.779 7.431 8.725 1.00 0.00 C ATOM 956 CG TYR A 150 -2.782 8.172 7.868 1.00 0.00 C ATOM 957 CD1 TYR A 150 -2.520 8.440 6.530 1.00 0.00 C ATOM 958 CD2 TYR A 150 -3.989 8.609 8.400 1.00 0.00 C ATOM 959 CE1 TYR A 150 -3.431 9.121 5.747 1.00 0.00 C ATOM 960 CE2 TYR A 150 -4.907 9.289 7.622 1.00 0.00 C ATOM 961 CZ TYR A 150 -4.623 9.543 6.297 1.00 0.00 C ATOM 962 OH TYR A 150 -5.534 10.222 5.521 1.00 0.00 O ATOM 0 H TYR A 150 -2.249 4.537 8.050 1.00 0.00 H new ATOM 0 HA TYR A 150 -1.377 6.270 6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -2.287 7.039 9.606 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -1.026 8.135 9.078 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -1.588 8.110 6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -4.213 8.414 9.438 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -3.211 9.322 4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -5.842 9.620 8.050 1.00 0.00 H new ATOM 0 HH TYR A 150 -5.576 11.158 5.809 1.00 0.00 H new ATOM 972 N ASP A 151 0.957 6.969 9.155 1.00 0.00 N ATOM 973 CA ASP A 151 2.392 7.223 9.315 1.00 0.00 C ATOM 974 C ASP A 151 3.238 6.172 8.603 1.00 0.00 C ATOM 975 O ASP A 151 4.075 6.500 7.762 1.00 0.00 O ATOM 976 CB ASP A 151 2.757 7.263 10.800 1.00 0.00 C ATOM 977 CG ASP A 151 2.060 8.391 11.536 1.00 0.00 C ATOM 978 OD1 ASP A 151 2.070 9.530 11.024 1.00 0.00 O ATOM 979 OD2 ASP A 151 1.504 8.135 12.625 1.00 0.00 O ATOM 0 H ASP A 151 0.399 7.206 9.975 1.00 0.00 H new ATOM 0 HA ASP A 151 2.607 8.189 8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 151 2.492 6.312 11.262 1.00 0.00 H new ATOM 0 HB3 ASP A 151 3.836 7.377 10.903 1.00 0.00 H new ATOM 984 N GLU A 152 3.013 4.909 8.942 1.00 0.00 N ATOM 985 CA GLU A 152 3.755 3.816 8.330 1.00 0.00 C ATOM 986 C GLU A 152 3.132 3.413 6.995 1.00 0.00 C ATOM 987 O GLU A 152 3.806 2.851 6.131 1.00 0.00 O ATOM 988 CB GLU A 152 3.803 2.615 9.274 1.00 0.00 C ATOM 989 CG GLU A 152 4.786 2.780 10.421 1.00 0.00 C ATOM 990 CD GLU A 152 4.449 1.899 11.608 1.00 0.00 C ATOM 991 OE1 GLU A 152 4.573 0.662 11.484 1.00 0.00 O ATOM 992 OE2 GLU A 152 4.060 2.445 12.662 1.00 0.00 O ATOM 0 H GLU A 152 2.324 4.617 9.636 1.00 0.00 H new ATOM 0 HA GLU A 152 4.772 4.159 8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 152 2.807 2.445 9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 152 4.070 1.726 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 152 5.791 2.543 10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 152 4.797 3.823 10.738 1.00 0.00 H new ATOM 999 N PHE A 153 1.843 3.705 6.828 1.00 0.00 N ATOM 1000 CA PHE A 153 1.139 3.374 5.594 1.00 0.00 C ATOM 1001 C PHE A 153 1.710 4.158 4.418 1.00 0.00 C ATOM 1002 O PHE A 153 2.026 3.588 3.374 1.00 0.00 O ATOM 1003 CB PHE A 153 -0.361 3.658 5.737 1.00 0.00 C ATOM 1004 CG PHE A 153 -1.111 3.626 4.432 1.00 0.00 C ATOM 1005 CD1 PHE A 153 -0.738 2.751 3.423 1.00 0.00 C ATOM 1006 CD2 PHE A 153 -2.183 4.475 4.212 1.00 0.00 C ATOM 1007 CE1 PHE A 153 -1.419 2.724 2.223 1.00 0.00 C ATOM 1008 CE2 PHE A 153 -2.869 4.451 3.012 1.00 0.00 C ATOM 1009 CZ PHE A 153 -2.486 3.575 2.017 1.00 0.00 C ATOM 0 H PHE A 153 1.268 4.169 7.531 1.00 0.00 H new ATOM 0 HA PHE A 153 1.278 2.310 5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.798 2.924 6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -0.494 4.637 6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 153 0.096 2.082 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -2.486 5.164 4.987 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -1.117 2.038 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -3.704 5.117 2.853 1.00 0.00 H new ATOM 0 HZ PHE A 153 -3.020 3.555 1.079 1.00 0.00 H new ATOM 1019 N LEU A 154 1.840 5.468 4.591 1.00 0.00 N ATOM 1020 CA LEU A 154 2.375 6.323 3.540 1.00 0.00 C ATOM 1021 C LEU A 154 3.745 5.827 3.082 1.00 0.00 C ATOM 1022 O LEU A 154 4.170 6.098 1.959 1.00 0.00 O ATOM 1023 CB LEU A 154 2.458 7.772 4.029 1.00 0.00 C ATOM 1024 CG LEU A 154 1.193 8.297 4.721 1.00 0.00 C ATOM 1025 CD1 LEU A 154 1.132 9.814 4.645 1.00 0.00 C ATOM 1026 CD2 LEU A 154 -0.059 7.684 4.103 1.00 0.00 C ATOM 0 H LEU A 154 1.583 5.960 5.447 1.00 0.00 H new ATOM 0 HA LEU A 154 1.701 6.283 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.295 7.858 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 154 2.681 8.415 3.177 1.00 0.00 H new ATOM 0 HG LEU A 154 1.236 8.003 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 154 0.228 10.167 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 154 2.006 10.238 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.118 10.126 3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -0.942 8.072 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 154 -0.106 7.942 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 154 -0.025 6.600 4.211 1.00 0.00 H new ATOM 1038 N GLU A 155 4.423 5.082 3.953 1.00 0.00 N ATOM 1039 CA GLU A 155 5.732 4.529 3.630 1.00 0.00 C ATOM 1040 C GLU A 155 5.585 3.270 2.773 1.00 0.00 C ATOM 1041 O GLU A 155 6.540 2.824 2.139 1.00 0.00 O ATOM 1042 CB GLU A 155 6.503 4.206 4.912 1.00 0.00 C ATOM 1043 CG GLU A 155 7.509 5.278 5.303 1.00 0.00 C ATOM 1044 CD GLU A 155 7.320 5.766 6.726 1.00 0.00 C ATOM 1045 OE1 GLU A 155 6.429 6.611 6.951 1.00 0.00 O ATOM 1046 OE2 GLU A 155 8.064 5.302 7.616 1.00 0.00 O ATOM 0 H GLU A 155 4.086 4.849 4.887 1.00 0.00 H new ATOM 0 HA GLU A 155 6.290 5.273 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 155 5.794 4.070 5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 155 7.026 3.258 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 155 8.518 4.882 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 155 7.419 6.122 4.619 1.00 0.00 H new ATOM 1053 N PHE A 156 4.378 2.707 2.757 1.00 0.00 N ATOM 1054 CA PHE A 156 4.097 1.508 1.976 1.00 0.00 C ATOM 1055 C PHE A 156 4.210 1.805 0.485 1.00 0.00 C ATOM 1056 O PHE A 156 4.953 1.141 -0.238 1.00 0.00 O ATOM 1057 CB PHE A 156 2.692 0.989 2.302 1.00 0.00 C ATOM 1058 CG PHE A 156 2.611 -0.504 2.442 1.00 0.00 C ATOM 1059 CD1 PHE A 156 3.349 -1.164 3.411 1.00 0.00 C ATOM 1060 CD2 PHE A 156 1.793 -1.247 1.606 1.00 0.00 C ATOM 1061 CE1 PHE A 156 3.273 -2.537 3.544 1.00 0.00 C ATOM 1062 CE2 PHE A 156 1.715 -2.620 1.734 1.00 0.00 C ATOM 1063 CZ PHE A 156 2.456 -3.266 2.703 1.00 0.00 C ATOM 0 H PHE A 156 3.578 3.065 3.279 1.00 0.00 H new ATOM 0 HA PHE A 156 4.829 0.743 2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.351 1.450 3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.006 1.308 1.517 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.991 -0.599 4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 156 1.210 -0.747 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 156 3.852 -3.039 4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 156 1.074 -3.188 1.076 1.00 0.00 H new ATOM 0 HZ PHE A 156 2.397 -4.340 2.803 1.00 0.00 H new ATOM 1073 N MET A 157 3.468 2.811 0.034 1.00 0.00 N ATOM 1074 CA MET A 157 3.480 3.206 -1.369 1.00 0.00 C ATOM 1075 C MET A 157 4.888 3.594 -1.816 1.00 0.00 C ATOM 1076 O MET A 157 5.246 3.431 -2.983 1.00 0.00 O ATOM 1077 CB MET A 157 2.515 4.372 -1.600 1.00 0.00 C ATOM 1078 CG MET A 157 3.000 5.694 -1.023 1.00 0.00 C ATOM 1079 SD MET A 157 3.494 6.872 -2.297 1.00 0.00 S ATOM 1080 CE MET A 157 1.898 7.342 -2.959 1.00 0.00 C ATOM 0 H MET A 157 2.849 3.369 0.622 1.00 0.00 H new ATOM 0 HA MET A 157 3.155 2.352 -1.964 1.00 0.00 H new ATOM 0 HB2 MET A 157 2.354 4.491 -2.671 1.00 0.00 H new ATOM 0 HB3 MET A 157 1.550 4.126 -1.158 1.00 0.00 H new ATOM 0 HG2 MET A 157 2.208 6.133 -0.416 1.00 0.00 H new ATOM 0 HG3 MET A 157 3.844 5.508 -0.359 1.00 0.00 H new ATOM 0 HE1 MET A 157 1.937 7.326 -4.048 1.00 0.00 H new ATOM 0 HE2 MET A 157 1.139 6.640 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 157 1.645 8.346 -2.620 1.00 0.00 H new ATOM 1090 N LYS A 158 5.684 4.110 -0.883 1.00 0.00 N ATOM 1091 CA LYS A 158 7.052 4.521 -1.185 1.00 0.00 C ATOM 1092 C LYS A 158 7.797 3.421 -1.937 1.00 0.00 C ATOM 1093 O LYS A 158 8.677 3.698 -2.753 1.00 0.00 O ATOM 1094 CB LYS A 158 7.799 4.877 0.103 1.00 0.00 C ATOM 1095 CG LYS A 158 8.031 6.369 0.278 1.00 0.00 C ATOM 1096 CD LYS A 158 9.416 6.658 0.834 1.00 0.00 C ATOM 1097 CE LYS A 158 9.906 8.034 0.416 1.00 0.00 C ATOM 1098 NZ LYS A 158 11.339 8.014 0.013 1.00 0.00 N ATOM 0 H LYS A 158 5.405 4.253 0.088 1.00 0.00 H new ATOM 0 HA LYS A 158 7.007 5.404 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 158 7.234 4.503 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 158 8.761 4.365 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 158 7.911 6.872 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 158 7.276 6.779 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 158 9.394 6.593 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 158 10.116 5.899 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 158 9.301 8.398 -0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 158 9.770 8.734 1.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 11.635 8.971 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 11.920 7.691 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 11.465 7.366 -0.791 1.00 0.00 H new ATOM 1112 N GLY A 159 7.431 2.173 -1.663 1.00 0.00 N ATOM 1113 CA GLY A 159 8.067 1.052 -2.329 1.00 0.00 C ATOM 1114 C GLY A 159 7.788 1.044 -3.818 1.00 0.00 C ATOM 1115 O GLY A 159 8.593 0.547 -4.606 1.00 0.00 O ATOM 0 H GLY A 159 6.706 1.918 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 159 9.143 1.094 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 159 7.712 0.120 -1.889 1.00 0.00 H new ATOM 1119 N VAL A 160 6.643 1.602 -4.204 1.00 0.00 N ATOM 1120 CA VAL A 160 6.253 1.666 -5.605 1.00 0.00 C ATOM 1121 C VAL A 160 7.340 2.324 -6.451 1.00 0.00 C ATOM 1122 O VAL A 160 7.510 1.998 -7.626 1.00 0.00 O ATOM 1123 CB VAL A 160 4.936 2.449 -5.776 1.00 0.00 C ATOM 1124 CG1 VAL A 160 4.476 2.419 -7.224 1.00 0.00 C ATOM 1125 CG2 VAL A 160 3.858 1.893 -4.857 1.00 0.00 C ATOM 0 H VAL A 160 5.969 2.017 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 160 6.109 0.641 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 160 5.118 3.487 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 160 3.545 2.978 -7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 160 5.239 2.872 -7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 160 4.314 1.386 -7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.937 2.459 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 160 3.679 0.845 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 160 4.185 1.976 -3.821 1.00 0.00 H new ATOM 1135 N GLU A 161 8.074 3.251 -5.843 1.00 0.00 N ATOM 1136 CA GLU A 161 9.146 3.954 -6.539 1.00 0.00 C ATOM 1137 C GLU A 161 10.444 3.155 -6.487 1.00 0.00 C ATOM 1138 O GLU A 161 10.543 2.243 -5.640 1.00 0.00 O ATOM 1139 CB GLU A 161 9.360 5.338 -5.923 1.00 0.00 C ATOM 1140 CG GLU A 161 8.414 6.398 -6.465 1.00 0.00 C ATOM 1141 CD GLU A 161 9.141 7.514 -7.191 1.00 0.00 C ATOM 1142 OE1 GLU A 161 9.649 7.265 -8.304 1.00 0.00 O ATOM 1143 OE2 GLU A 161 9.201 8.636 -6.645 1.00 0.00 O ATOM 1144 OXT GLU A 161 11.350 3.448 -7.295 1.00 0.00 O ATOM 0 H GLU A 161 7.946 3.532 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 161 8.854 4.070 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 161 9.234 5.269 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 161 10.388 5.653 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 161 7.702 5.930 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 161 7.838 6.820 -5.642 1.00 0.00 H new ATOM 1226 N PHE B 132 2.253 -6.857 -6.722 1.00 0.00 N ATOM 1227 CA PHE B 132 0.833 -6.637 -6.936 1.00 0.00 C ATOM 1228 C PHE B 132 0.389 -5.290 -6.341 1.00 0.00 C ATOM 1229 O PHE B 132 1.117 -4.303 -6.446 1.00 0.00 O ATOM 1230 CB PHE B 132 0.042 -7.813 -6.347 1.00 0.00 C ATOM 1231 CG PHE B 132 0.486 -8.224 -4.966 1.00 0.00 C ATOM 1232 CD1 PHE B 132 0.020 -7.557 -3.847 1.00 0.00 C ATOM 1233 CD2 PHE B 132 1.354 -9.290 -4.790 1.00 0.00 C ATOM 1234 CE1 PHE B 132 0.409 -7.944 -2.578 1.00 0.00 C ATOM 1235 CE2 PHE B 132 1.751 -9.679 -3.524 1.00 0.00 C ATOM 1236 CZ PHE B 132 1.276 -9.006 -2.416 1.00 0.00 C ATOM 0 HA PHE B 132 0.631 -6.588 -8.006 1.00 0.00 H new ATOM 0 HB2 PHE B 132 -1.014 -7.546 -6.313 1.00 0.00 H new ATOM 0 HB3 PHE B 132 0.133 -8.669 -7.016 1.00 0.00 H new ATOM 0 HD1 PHE B 132 -0.656 -6.723 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE B 132 1.725 -9.824 -5.653 1.00 0.00 H new ATOM 0 HE1 PHE B 132 0.035 -7.416 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE B 132 2.432 -10.508 -3.402 1.00 0.00 H new ATOM 0 HZ PHE B 132 1.582 -9.309 -1.426 1.00 0.00 H new ATOM 1246 N ASP B 133 -0.805 -5.249 -5.733 1.00 0.00 N ATOM 1247 CA ASP B 133 -1.351 -4.021 -5.135 1.00 0.00 C ATOM 1248 C ASP B 133 -0.253 -3.078 -4.648 1.00 0.00 C ATOM 1249 O ASP B 133 -0.257 -1.891 -4.972 1.00 0.00 O ATOM 1250 CB ASP B 133 -2.281 -4.371 -3.971 1.00 0.00 C ATOM 1251 CG ASP B 133 -3.540 -3.527 -3.964 1.00 0.00 C ATOM 1252 OD1 ASP B 133 -3.454 -2.330 -4.308 1.00 0.00 O ATOM 1253 OD2 ASP B 133 -4.612 -4.064 -3.614 1.00 0.00 O ATOM 0 H ASP B 133 -1.417 -6.060 -5.642 1.00 0.00 H new ATOM 0 HA ASP B 133 -1.910 -3.504 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP B 133 -2.553 -5.425 -4.031 1.00 0.00 H new ATOM 0 HB3 ASP B 133 -1.749 -4.233 -3.030 1.00 0.00 H new ATOM 1258 N LEU B 134 0.679 -3.623 -3.867 1.00 0.00 N ATOM 1259 CA LEU B 134 1.801 -2.851 -3.319 1.00 0.00 C ATOM 1260 C LEU B 134 2.189 -1.692 -4.230 1.00 0.00 C ATOM 1261 O LEU B 134 2.194 -0.533 -3.814 1.00 0.00 O ATOM 1262 CB LEU B 134 3.018 -3.757 -3.120 1.00 0.00 C ATOM 1263 CG LEU B 134 2.711 -5.164 -2.606 1.00 0.00 C ATOM 1264 CD1 LEU B 134 2.545 -6.119 -3.770 1.00 0.00 C ATOM 1265 CD2 LEU B 134 3.810 -5.656 -1.680 1.00 0.00 C ATOM 0 H LEU B 134 0.681 -4.606 -3.596 1.00 0.00 H new ATOM 0 HA LEU B 134 1.476 -2.444 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU B 134 3.545 -3.843 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU B 134 3.699 -3.273 -2.420 1.00 0.00 H new ATOM 0 HG LEU B 134 1.780 -5.125 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU B 134 2.327 -7.118 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU B 134 1.724 -5.782 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU B 134 3.465 -6.145 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU B 134 3.568 -6.659 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU B 134 4.757 -5.680 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU B 134 3.895 -4.983 -0.827 1.00 0.00 H new ATOM 1277 N ARG B 135 2.519 -2.018 -5.474 1.00 0.00 N ATOM 1278 CA ARG B 135 2.915 -1.008 -6.447 1.00 0.00 C ATOM 1279 C ARG B 135 1.699 -0.334 -7.074 1.00 0.00 C ATOM 1280 O ARG B 135 1.604 0.892 -7.102 1.00 0.00 O ATOM 1281 CB ARG B 135 3.778 -1.636 -7.541 1.00 0.00 C ATOM 1282 CG ARG B 135 4.278 -0.635 -8.567 1.00 0.00 C ATOM 1283 CD ARG B 135 5.140 -1.303 -9.626 1.00 0.00 C ATOM 1284 NE ARG B 135 6.082 -0.367 -10.235 1.00 0.00 N ATOM 1285 CZ ARG B 135 6.754 -0.617 -11.356 1.00 0.00 C ATOM 1286 NH1 ARG B 135 6.594 -1.771 -11.991 1.00 0.00 N ATOM 1287 NH2 ARG B 135 7.590 0.290 -11.843 1.00 0.00 N ATOM 0 H ARG B 135 2.520 -2.973 -5.832 1.00 0.00 H new ATOM 0 HA ARG B 135 3.493 -0.249 -5.920 1.00 0.00 H new ATOM 0 HB2 ARG B 135 4.633 -2.129 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG B 135 3.201 -2.408 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG B 135 3.428 -0.146 -9.044 1.00 0.00 H new ATOM 0 HG3 ARG B 135 4.854 0.143 -8.066 1.00 0.00 H new ATOM 0 HD2 ARG B 135 5.690 -2.130 -9.177 1.00 0.00 H new ATOM 0 HD3 ARG B 135 4.500 -1.728 -10.399 1.00 0.00 H new ATOM 0 HE ARG B 135 6.233 0.530 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG B 135 5.953 -2.472 -11.620 1.00 0.00 H new ATOM 0 HH12 ARG B 135 7.112 -1.957 -12.850 1.00 0.00 H new ATOM 0 HH21 ARG B 135 7.718 1.178 -11.358 1.00 0.00 H new ATOM 0 HH22 ARG B 135 8.106 0.099 -12.702 1.00 0.00 H new ATOM 1301 N GLY B 136 0.775 -1.141 -7.582 1.00 0.00 N ATOM 1302 CA GLY B 136 -0.415 -0.597 -8.208 1.00 0.00 C ATOM 1303 C GLY B 136 -1.224 0.274 -7.267 1.00 0.00 C ATOM 1304 O GLY B 136 -1.093 0.172 -6.048 1.00 0.00 O ATOM 0 H GLY B 136 0.828 -2.160 -7.572 1.00 0.00 H new ATOM 0 HA2 GLY B 136 -0.126 -0.011 -9.081 1.00 0.00 H new ATOM 0 HA3 GLY B 136 -1.039 -1.416 -8.566 1.00 0.00 H new ATOM 1308 N LYS B 137 -2.060 1.139 -7.836 1.00 0.00 N ATOM 1309 CA LYS B 137 -2.892 2.037 -7.040 1.00 0.00 C ATOM 1310 C LYS B 137 -2.042 2.815 -6.041 1.00 0.00 C ATOM 1311 O LYS B 137 -2.493 3.139 -4.943 1.00 0.00 O ATOM 1312 CB LYS B 137 -3.972 1.245 -6.301 1.00 0.00 C ATOM 1313 CG LYS B 137 -4.751 0.296 -7.196 1.00 0.00 C ATOM 1314 CD LYS B 137 -6.052 0.922 -7.673 1.00 0.00 C ATOM 1315 CE LYS B 137 -6.341 0.569 -9.124 1.00 0.00 C ATOM 1316 NZ LYS B 137 -7.789 0.312 -9.355 1.00 0.00 N ATOM 0 H LYS B 137 -2.179 1.237 -8.844 1.00 0.00 H new ATOM 0 HA LYS B 137 -3.371 2.746 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS B 137 -3.506 0.674 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS B 137 -4.667 1.943 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS B 137 -4.141 0.022 -8.057 1.00 0.00 H new ATOM 0 HG3 LYS B 137 -4.966 -0.624 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS B 137 -6.874 0.580 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS B 137 -5.997 2.005 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS B 137 -6.009 1.383 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS B 137 -5.766 -0.314 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 137 -7.944 0.075 -10.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 137 -8.100 -0.481 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 137 -8.336 1.163 -9.112 1.00 0.00 H new ATOM 1330 N PHE B 138 -0.805 3.104 -6.431 1.00 0.00 N ATOM 1331 CA PHE B 138 0.118 3.836 -5.573 1.00 0.00 C ATOM 1332 C PHE B 138 1.118 4.635 -6.403 1.00 0.00 C ATOM 1333 O PHE B 138 2.244 4.880 -5.969 1.00 0.00 O ATOM 1334 CB PHE B 138 0.864 2.862 -4.662 1.00 0.00 C ATOM 1335 CG PHE B 138 0.054 2.382 -3.493 1.00 0.00 C ATOM 1336 CD1 PHE B 138 -0.427 3.275 -2.550 1.00 0.00 C ATOM 1337 CD2 PHE B 138 -0.225 1.035 -3.339 1.00 0.00 C ATOM 1338 CE1 PHE B 138 -1.172 2.832 -1.473 1.00 0.00 C ATOM 1339 CE2 PHE B 138 -0.968 0.585 -2.265 1.00 0.00 C ATOM 1340 CZ PHE B 138 -1.443 1.485 -1.330 1.00 0.00 C ATOM 0 H PHE B 138 -0.418 2.842 -7.338 1.00 0.00 H new ATOM 0 HA PHE B 138 -0.460 4.533 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE B 138 1.182 2.001 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE B 138 1.768 3.346 -4.291 1.00 0.00 H new ATOM 0 HD1 PHE B 138 -0.218 4.329 -2.657 1.00 0.00 H new ATOM 0 HD2 PHE B 138 0.143 0.327 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE B 138 -1.542 3.538 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE B 138 -1.177 -0.469 -2.156 1.00 0.00 H new ATOM 0 HZ PHE B 138 -2.025 1.136 -0.490 1.00 0.00 H new