USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 479 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 141 SER OG : rot 73:sc= -1.68! USER MOD Set 1.2: A 157 MET CE :methyl -113:sc= -0.896 (180deg=-1.66) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 125 THR OG1 : rot -6:sc= 0.941 USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 MET CE :methyl 145:sc= -3.22! (180deg=-3.54!) USER MOD Single : A 139 LYS NZ :NH3+ -120:sc= -0.0803 (180deg=-0.618) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.45) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 57.318 14.400 4.519 1.00 0.00 N ATOM 116 CA GLU A 96 55.941 14.106 5.011 1.00 0.00 C ATOM 117 C GLU A 96 55.167 13.304 3.962 1.00 0.00 C ATOM 118 O GLU A 96 54.526 12.319 4.269 1.00 0.00 O ATOM 119 CB GLU A 96 55.293 15.476 5.224 1.00 0.00 C ATOM 120 CG GLU A 96 54.043 15.316 6.091 1.00 0.00 C ATOM 121 CD GLU A 96 53.268 16.635 6.122 1.00 0.00 C ATOM 122 OE1 GLU A 96 53.854 17.652 5.788 1.00 0.00 O ATOM 123 OE2 GLU A 96 52.102 16.606 6.477 1.00 0.00 O ATOM 0 HA GLU A 96 55.947 13.513 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 96 55.998 16.154 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 96 55.029 15.919 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 96 53.412 14.521 5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 96 54.325 15.024 7.103 1.00 0.00 H new ATOM 130 N GLU A 97 55.222 13.719 2.726 1.00 0.00 N ATOM 131 CA GLU A 97 54.489 12.978 1.659 1.00 0.00 C ATOM 132 C GLU A 97 54.972 11.528 1.592 1.00 0.00 C ATOM 133 O GLU A 97 54.194 10.600 1.699 1.00 0.00 O ATOM 134 CB GLU A 97 54.823 13.719 0.364 1.00 0.00 C ATOM 135 CG GLU A 97 54.235 12.956 -0.824 1.00 0.00 C ATOM 136 CD GLU A 97 52.708 13.013 -0.762 1.00 0.00 C ATOM 137 OE1 GLU A 97 52.140 12.281 0.032 1.00 0.00 O ATOM 138 OE2 GLU A 97 52.132 13.788 -1.508 1.00 0.00 O ATOM 0 H GLU A 97 55.742 14.537 2.409 1.00 0.00 H new ATOM 0 HA GLU A 97 53.415 12.943 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 97 54.419 14.731 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 97 55.903 13.811 0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 97 54.588 13.390 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.572 11.919 -0.807 1.00 0.00 H new ATOM 145 N LEU A 98 56.249 11.321 1.418 1.00 0.00 N ATOM 146 CA LEU A 98 56.772 9.927 1.348 1.00 0.00 C ATOM 147 C LEU A 98 56.498 9.199 2.666 1.00 0.00 C ATOM 148 O LEU A 98 55.864 8.164 2.694 1.00 0.00 O ATOM 149 CB LEU A 98 58.274 10.073 1.113 1.00 0.00 C ATOM 150 CG LEU A 98 58.552 10.092 -0.392 1.00 0.00 C ATOM 151 CD1 LEU A 98 59.535 11.216 -0.717 1.00 0.00 C ATOM 152 CD2 LEU A 98 59.154 8.750 -0.815 1.00 0.00 C ATOM 0 H LEU A 98 56.951 12.055 1.322 1.00 0.00 H new ATOM 0 HA LEU A 98 56.297 9.345 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 98 58.638 10.992 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.809 9.248 1.583 1.00 0.00 H new ATOM 0 HG LEU A 98 57.620 10.260 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 98 59.732 11.228 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 98 59.107 12.172 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 98 60.468 11.050 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 98 59.353 8.762 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 98 60.086 8.583 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 98 58.453 7.948 -0.585 1.00 0.00 H new ATOM 164 N ALA A 99 56.964 9.738 3.760 1.00 0.00 N ATOM 165 CA ALA A 99 56.719 9.078 5.073 1.00 0.00 C ATOM 166 C ALA A 99 55.255 8.643 5.166 1.00 0.00 C ATOM 167 O ALA A 99 54.942 7.581 5.666 1.00 0.00 O ATOM 168 CB ALA A 99 57.032 10.147 6.119 1.00 0.00 C ATOM 0 H ALA A 99 57.502 10.604 3.801 1.00 0.00 H new ATOM 0 HA ALA A 99 57.329 8.186 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 99 56.875 9.737 7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 99 58.070 10.464 6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 99 56.375 11.004 5.971 1.00 0.00 H new ATOM 174 N ASN A 100 54.357 9.456 4.681 1.00 0.00 N ATOM 175 CA ASN A 100 52.913 9.093 4.734 1.00 0.00 C ATOM 176 C ASN A 100 52.696 7.723 4.084 1.00 0.00 C ATOM 177 O ASN A 100 52.016 6.871 4.622 1.00 0.00 O ATOM 178 CB ASN A 100 52.202 10.184 3.933 1.00 0.00 C ATOM 179 CG ASN A 100 51.369 11.052 4.878 1.00 0.00 C ATOM 180 OD1 ASN A 100 51.888 11.608 5.826 1.00 0.00 O ATOM 181 ND2 ASN A 100 50.090 11.192 4.659 1.00 0.00 N ATOM 0 H ASN A 100 54.562 10.357 4.250 1.00 0.00 H new ATOM 0 HA ASN A 100 52.537 9.028 5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 100 52.933 10.799 3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.560 9.734 3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 100 49.526 11.768 5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 100 49.655 10.725 3.863 1.00 0.00 H new ATOM 188 N CYS A 101 53.274 7.504 2.934 1.00 0.00 N ATOM 189 CA CYS A 101 53.103 6.187 2.257 1.00 0.00 C ATOM 190 C CYS A 101 53.457 5.056 3.223 1.00 0.00 C ATOM 191 O CYS A 101 52.791 4.041 3.277 1.00 0.00 O ATOM 192 CB CYS A 101 54.081 6.214 1.082 1.00 0.00 C ATOM 193 SG CYS A 101 53.190 6.636 -0.435 1.00 0.00 S ATOM 0 H CYS A 101 53.855 8.178 2.436 1.00 0.00 H new ATOM 0 HA CYS A 101 52.078 6.019 1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.870 6.943 1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 101 54.564 5.243 0.975 1.00 0.00 H new ATOM 0 HG CYS A 101 54.022 6.661 -1.434 1.00 0.00 H new ATOM 199 N PHE A 102 54.499 5.225 3.991 1.00 0.00 N ATOM 200 CA PHE A 102 54.889 4.159 4.956 1.00 0.00 C ATOM 201 C PHE A 102 53.644 3.625 5.668 1.00 0.00 C ATOM 202 O PHE A 102 53.401 2.436 5.707 1.00 0.00 O ATOM 203 CB PHE A 102 55.829 4.842 5.950 1.00 0.00 C ATOM 204 CG PHE A 102 56.683 3.798 6.630 1.00 0.00 C ATOM 205 CD1 PHE A 102 56.216 3.158 7.783 1.00 0.00 C ATOM 206 CD2 PHE A 102 57.940 3.471 6.106 1.00 0.00 C ATOM 207 CE1 PHE A 102 57.005 2.189 8.414 1.00 0.00 C ATOM 208 CE2 PHE A 102 58.730 2.502 6.737 1.00 0.00 C ATOM 209 CZ PHE A 102 58.263 1.861 7.891 1.00 0.00 C ATOM 0 H PHE A 102 55.095 6.053 3.992 1.00 0.00 H new ATOM 0 HA PHE A 102 55.369 3.311 4.468 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.461 5.564 5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.253 5.396 6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.247 3.412 8.186 1.00 0.00 H new ATOM 0 HD2 PHE A 102 58.300 3.966 5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 102 56.644 1.694 9.304 1.00 0.00 H new ATOM 0 HE2 PHE A 102 59.699 2.249 6.334 1.00 0.00 H new ATOM 0 HZ PHE A 102 58.872 1.114 8.378 1.00 0.00 H new ATOM 219 N ARG A 103 52.850 4.499 6.224 1.00 0.00 N ATOM 220 CA ARG A 103 51.617 4.041 6.924 1.00 0.00 C ATOM 221 C ARG A 103 50.703 3.309 5.939 1.00 0.00 C ATOM 222 O ARG A 103 50.047 2.346 6.281 1.00 0.00 O ATOM 223 CB ARG A 103 50.947 5.320 7.430 1.00 0.00 C ATOM 224 CG ARG A 103 51.519 5.687 8.800 1.00 0.00 C ATOM 225 CD ARG A 103 50.725 4.972 9.896 1.00 0.00 C ATOM 226 NE ARG A 103 50.594 5.974 10.990 1.00 0.00 N ATOM 227 CZ ARG A 103 49.411 6.364 11.379 1.00 0.00 C ATOM 228 NH1 ARG A 103 48.512 6.701 10.496 1.00 0.00 N ATOM 229 NH2 ARG A 103 49.130 6.421 12.652 1.00 0.00 N ATOM 0 H ARG A 103 53.001 5.508 6.224 1.00 0.00 H new ATOM 0 HA ARG A 103 51.833 3.349 7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 103 51.113 6.134 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 103 49.869 5.175 7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 103 52.570 5.403 8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 103 51.472 6.766 8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 103 49.748 4.654 9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 103 51.244 4.077 10.240 1.00 0.00 H new ATOM 0 HE ARG A 103 51.429 6.355 11.435 1.00 0.00 H new ATOM 0 HH11 ARG A 103 48.734 6.660 9.501 1.00 0.00 H new ATOM 0 HH12 ARG A 103 47.587 7.006 10.800 1.00 0.00 H new ATOM 0 HH21 ARG A 103 49.835 6.161 13.342 1.00 0.00 H new ATOM 0 HH22 ARG A 103 48.206 6.726 12.957 1.00 0.00 H new ATOM 243 N ILE A 104 50.658 3.760 4.714 1.00 0.00 N ATOM 244 CA ILE A 104 49.792 3.093 3.702 1.00 0.00 C ATOM 245 C ILE A 104 50.315 1.685 3.409 1.00 0.00 C ATOM 246 O ILE A 104 49.560 0.737 3.322 1.00 0.00 O ATOM 247 CB ILE A 104 49.890 3.973 2.458 1.00 0.00 C ATOM 248 CG1 ILE A 104 49.464 5.400 2.808 1.00 0.00 C ATOM 249 CG2 ILE A 104 48.970 3.420 1.369 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.998 5.401 3.247 1.00 0.00 C ATOM 0 H ILE A 104 51.185 4.563 4.371 1.00 0.00 H new ATOM 0 HA ILE A 104 48.762 2.985 4.043 1.00 0.00 H new ATOM 0 HB ILE A 104 50.919 3.979 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 104 50.094 5.794 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 104 49.597 6.053 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 104 49.039 4.048 0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 104 49.272 2.403 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 104 47.941 3.414 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 104 47.694 6.417 3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 104 47.375 5.025 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.880 4.762 4.122 1.00 0.00 H new ATOM 262 N PHE A 105 51.603 1.540 3.257 1.00 0.00 N ATOM 263 CA PHE A 105 52.172 0.192 2.974 1.00 0.00 C ATOM 264 C PHE A 105 52.094 -0.680 4.230 1.00 0.00 C ATOM 265 O PHE A 105 51.790 -1.854 4.165 1.00 0.00 O ATOM 266 CB PHE A 105 53.629 0.451 2.586 1.00 0.00 C ATOM 267 CG PHE A 105 53.787 0.300 1.091 1.00 0.00 C ATOM 268 CD1 PHE A 105 53.283 1.282 0.231 1.00 0.00 C ATOM 269 CD2 PHE A 105 54.440 -0.822 0.566 1.00 0.00 C ATOM 270 CE1 PHE A 105 53.430 1.142 -1.155 1.00 0.00 C ATOM 271 CE2 PHE A 105 54.588 -0.962 -0.819 1.00 0.00 C ATOM 272 CZ PHE A 105 54.084 0.020 -1.679 1.00 0.00 C ATOM 0 H PHE A 105 52.285 2.296 3.316 1.00 0.00 H new ATOM 0 HA PHE A 105 51.631 -0.333 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.926 1.453 2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 105 54.284 -0.249 3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 105 52.781 2.148 0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 105 54.830 -1.580 1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 105 53.039 1.899 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 105 55.091 -1.828 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 105 54.199 -0.087 -2.747 1.00 0.00 H new ATOM 282 N ASP A 106 52.361 -0.112 5.374 1.00 0.00 N ATOM 283 CA ASP A 106 52.297 -0.905 6.634 1.00 0.00 C ATOM 284 C ASP A 106 50.841 -1.058 7.082 1.00 0.00 C ATOM 285 O ASP A 106 50.327 -0.260 7.841 1.00 0.00 O ATOM 286 CB ASP A 106 53.090 -0.091 7.658 1.00 0.00 C ATOM 287 CG ASP A 106 53.434 -0.975 8.858 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.842 -2.035 8.977 1.00 0.00 O ATOM 289 OD2 ASP A 106 54.284 -0.578 9.638 1.00 0.00 O ATOM 0 H ASP A 106 52.621 0.867 5.491 1.00 0.00 H new ATOM 0 HA ASP A 106 52.703 -1.909 6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 106 54.003 0.295 7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 106 52.507 0.771 7.983 1.00 0.00 H new ATOM 294 N LYS A 107 50.173 -2.075 6.614 1.00 0.00 N ATOM 295 CA LYS A 107 48.748 -2.277 7.007 1.00 0.00 C ATOM 296 C LYS A 107 48.653 -2.672 8.485 1.00 0.00 C ATOM 297 O LYS A 107 47.840 -2.153 9.223 1.00 0.00 O ATOM 298 CB LYS A 107 48.250 -3.415 6.115 1.00 0.00 C ATOM 299 CG LYS A 107 47.083 -2.918 5.259 1.00 0.00 C ATOM 300 CD LYS A 107 47.606 -1.953 4.193 1.00 0.00 C ATOM 301 CE LYS A 107 48.123 -2.748 2.991 1.00 0.00 C ATOM 302 NZ LYS A 107 47.091 -2.561 1.934 1.00 0.00 N ATOM 0 H LYS A 107 50.551 -2.776 5.976 1.00 0.00 H new ATOM 0 HA LYS A 107 48.155 -1.371 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 107 49.058 -3.771 5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.932 -4.259 6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 107 46.580 -3.761 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 107 46.345 -2.418 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 107 46.811 -1.276 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 107 48.405 -1.337 4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 107 49.095 -2.380 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 107 48.248 -3.802 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 47.375 -3.077 1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 46.178 -2.926 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 46.999 -1.549 1.714 1.00 0.00 H new ATOM 316 N ASN A 108 49.473 -3.589 8.919 1.00 0.00 N ATOM 317 CA ASN A 108 49.423 -4.015 10.349 1.00 0.00 C ATOM 318 C ASN A 108 49.950 -2.901 11.257 1.00 0.00 C ATOM 319 O ASN A 108 49.808 -2.953 12.463 1.00 0.00 O ATOM 320 CB ASN A 108 50.326 -5.247 10.427 1.00 0.00 C ATOM 321 CG ASN A 108 49.684 -6.402 9.656 1.00 0.00 C ATOM 322 OD1 ASN A 108 49.017 -7.238 10.233 1.00 0.00 O ATOM 323 ND2 ASN A 108 49.859 -6.486 8.365 1.00 0.00 N ATOM 0 H ASN A 108 50.174 -4.061 8.348 1.00 0.00 H new ATOM 0 HA ASN A 108 48.407 -4.233 10.678 1.00 0.00 H new ATOM 0 HB2 ASN A 108 51.307 -5.019 10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 108 50.480 -5.532 11.468 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.436 -7.253 7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.419 -5.785 7.880 1.00 0.00 H new ATOM 330 N ALA A 109 50.556 -1.894 10.692 1.00 0.00 N ATOM 331 CA ALA A 109 51.088 -0.779 11.527 1.00 0.00 C ATOM 332 C ALA A 109 51.999 -1.328 12.631 1.00 0.00 C ATOM 333 O ALA A 109 51.840 -1.013 13.794 1.00 0.00 O ATOM 334 CB ALA A 109 49.852 -0.115 12.133 1.00 0.00 C ATOM 0 H ALA A 109 50.706 -1.794 9.688 1.00 0.00 H new ATOM 0 HA ALA A 109 51.685 -0.077 10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 109 50.159 0.719 12.764 1.00 0.00 H new ATOM 0 HB2 ALA A 109 49.208 0.253 11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.306 -0.842 12.734 1.00 0.00 H new ATOM 340 N ASP A 110 52.950 -2.147 12.275 1.00 0.00 N ATOM 341 CA ASP A 110 53.870 -2.715 13.301 1.00 0.00 C ATOM 342 C ASP A 110 55.065 -1.780 13.518 1.00 0.00 C ATOM 343 O ASP A 110 55.657 -1.748 14.578 1.00 0.00 O ATOM 344 CB ASP A 110 54.333 -4.053 12.721 1.00 0.00 C ATOM 345 CG ASP A 110 54.995 -3.818 11.363 1.00 0.00 C ATOM 346 OD1 ASP A 110 54.277 -3.768 10.377 1.00 0.00 O ATOM 347 OD2 ASP A 110 56.208 -3.694 11.331 1.00 0.00 O ATOM 0 H ASP A 110 53.130 -2.448 11.317 1.00 0.00 H new ATOM 0 HA ASP A 110 53.384 -2.837 14.269 1.00 0.00 H new ATOM 0 HB2 ASP A 110 55.036 -4.533 13.402 1.00 0.00 H new ATOM 0 HB3 ASP A 110 53.484 -4.728 12.612 1.00 0.00 H new ATOM 352 N GLY A 111 55.420 -1.016 12.521 1.00 0.00 N ATOM 353 CA GLY A 111 56.574 -0.082 12.671 1.00 0.00 C ATOM 354 C GLY A 111 57.551 -0.283 11.511 1.00 0.00 C ATOM 355 O GLY A 111 58.356 0.577 11.211 1.00 0.00 O ATOM 0 H GLY A 111 54.962 -0.998 11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.221 0.949 12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 111 57.079 -0.261 13.620 1.00 0.00 H new ATOM 359 N PHE A 112 57.491 -1.410 10.857 1.00 0.00 N ATOM 360 CA PHE A 112 58.421 -1.661 9.718 1.00 0.00 C ATOM 361 C PHE A 112 57.773 -2.606 8.702 1.00 0.00 C ATOM 362 O PHE A 112 57.197 -3.614 9.058 1.00 0.00 O ATOM 363 CB PHE A 112 59.652 -2.312 10.346 1.00 0.00 C ATOM 364 CG PHE A 112 60.304 -1.341 11.302 1.00 0.00 C ATOM 365 CD1 PHE A 112 61.260 -0.434 10.833 1.00 0.00 C ATOM 366 CD2 PHE A 112 59.953 -1.350 12.657 1.00 0.00 C ATOM 367 CE1 PHE A 112 61.867 0.466 11.719 1.00 0.00 C ATOM 368 CE2 PHE A 112 60.559 -0.452 13.543 1.00 0.00 C ATOM 369 CZ PHE A 112 61.516 0.456 13.074 1.00 0.00 C ATOM 0 H PHE A 112 56.839 -2.168 11.061 1.00 0.00 H new ATOM 0 HA PHE A 112 58.673 -0.745 9.183 1.00 0.00 H new ATOM 0 HB2 PHE A 112 59.366 -3.222 10.874 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.359 -2.603 9.569 1.00 0.00 H new ATOM 0 HD1 PHE A 112 61.530 -0.427 9.787 1.00 0.00 H new ATOM 0 HD2 PHE A 112 59.214 -2.050 13.019 1.00 0.00 H new ATOM 0 HE1 PHE A 112 62.605 1.167 11.357 1.00 0.00 H new ATOM 0 HE2 PHE A 112 60.288 -0.459 14.589 1.00 0.00 H new ATOM 0 HZ PHE A 112 61.984 1.149 13.758 1.00 0.00 H new ATOM 379 N ILE A 113 57.863 -2.284 7.441 1.00 0.00 N ATOM 380 CA ILE A 113 57.251 -3.159 6.399 1.00 0.00 C ATOM 381 C ILE A 113 58.196 -4.316 6.059 1.00 0.00 C ATOM 382 O ILE A 113 59.402 -4.187 6.132 1.00 0.00 O ATOM 383 CB ILE A 113 57.056 -2.248 5.188 1.00 0.00 C ATOM 384 CG1 ILE A 113 55.916 -1.267 5.469 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.709 -3.091 3.961 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.377 0.156 5.153 1.00 0.00 C ATOM 0 H ILE A 113 58.334 -1.452 7.086 1.00 0.00 H new ATOM 0 HA ILE A 113 56.313 -3.605 6.729 1.00 0.00 H new ATOM 0 HB ILE A 113 57.977 -1.696 4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.046 -1.521 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 113 55.610 -1.338 6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.570 -2.439 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 113 57.520 -3.791 3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.789 -3.645 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 113 55.565 0.855 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.234 0.408 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 113 56.661 0.222 4.103 1.00 0.00 H new ATOM 398 N ASP A 114 57.658 -5.446 5.685 1.00 0.00 N ATOM 399 CA ASP A 114 58.526 -6.609 5.340 1.00 0.00 C ATOM 400 C ASP A 114 58.430 -6.915 3.843 1.00 0.00 C ATOM 401 O ASP A 114 57.969 -6.106 3.062 1.00 0.00 O ATOM 402 CB ASP A 114 57.984 -7.776 6.166 1.00 0.00 C ATOM 403 CG ASP A 114 56.456 -7.802 6.085 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.943 -8.047 5.005 1.00 0.00 O ATOM 405 OD2 ASP A 114 55.825 -7.574 7.104 1.00 0.00 O ATOM 0 H ASP A 114 56.655 -5.614 5.604 1.00 0.00 H new ATOM 0 HA ASP A 114 59.577 -6.416 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.393 -8.716 5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.301 -7.677 7.204 1.00 0.00 H new ATOM 410 N ILE A 115 58.865 -8.077 3.435 1.00 0.00 N ATOM 411 CA ILE A 115 58.801 -8.432 1.986 1.00 0.00 C ATOM 412 C ILE A 115 57.372 -8.825 1.593 1.00 0.00 C ATOM 413 O ILE A 115 56.900 -8.499 0.522 1.00 0.00 O ATOM 414 CB ILE A 115 59.759 -9.617 1.827 1.00 0.00 C ATOM 415 CG1 ILE A 115 60.162 -9.749 0.356 1.00 0.00 C ATOM 416 CG2 ILE A 115 59.080 -10.909 2.287 1.00 0.00 C ATOM 417 CD1 ILE A 115 61.633 -10.159 0.265 1.00 0.00 C ATOM 0 H ILE A 115 59.262 -8.795 4.041 1.00 0.00 H new ATOM 0 HA ILE A 115 59.079 -7.597 1.343 1.00 0.00 H new ATOM 0 HB ILE A 115 60.645 -9.444 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.535 -10.491 -0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 115 60.004 -8.803 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.770 -11.744 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 115 58.796 -10.818 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 115 58.189 -11.087 1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 115 61.920 -10.253 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 115 62.252 -9.401 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.776 -11.115 0.768 1.00 0.00 H new ATOM 429 N GLU A 116 56.680 -9.527 2.450 1.00 0.00 N ATOM 430 CA GLU A 116 55.285 -9.943 2.124 1.00 0.00 C ATOM 431 C GLU A 116 54.398 -8.715 1.900 1.00 0.00 C ATOM 432 O GLU A 116 53.851 -8.518 0.833 1.00 0.00 O ATOM 433 CB GLU A 116 54.810 -10.729 3.346 1.00 0.00 C ATOM 434 CG GLU A 116 55.692 -11.966 3.533 1.00 0.00 C ATOM 435 CD GLU A 116 55.301 -12.682 4.826 1.00 0.00 C ATOM 436 OE1 GLU A 116 54.663 -12.056 5.657 1.00 0.00 O ATOM 437 OE2 GLU A 116 55.645 -13.845 4.964 1.00 0.00 O ATOM 0 H GLU A 116 57.021 -9.831 3.362 1.00 0.00 H new ATOM 0 HA GLU A 116 55.238 -10.536 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.854 -10.100 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.770 -11.027 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 116 55.577 -12.639 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 116 56.742 -11.675 3.569 1.00 0.00 H new ATOM 444 N GLU A 117 54.248 -7.891 2.900 1.00 0.00 N ATOM 445 CA GLU A 117 53.393 -6.679 2.747 1.00 0.00 C ATOM 446 C GLU A 117 53.648 -6.013 1.391 1.00 0.00 C ATOM 447 O GLU A 117 52.737 -5.534 0.745 1.00 0.00 O ATOM 448 CB GLU A 117 53.811 -5.752 3.888 1.00 0.00 C ATOM 449 CG GLU A 117 53.082 -6.157 5.171 1.00 0.00 C ATOM 450 CD GLU A 117 53.160 -5.016 6.186 1.00 0.00 C ATOM 451 OE1 GLU A 117 54.137 -4.964 6.915 1.00 0.00 O ATOM 452 OE2 GLU A 117 52.243 -4.212 6.217 1.00 0.00 O ATOM 0 H GLU A 117 54.680 -8.004 3.817 1.00 0.00 H new ATOM 0 HA GLU A 117 52.330 -6.919 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 117 54.889 -5.806 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.576 -4.718 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.040 -6.391 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.531 -7.059 5.587 1.00 0.00 H new ATOM 459 N LEU A 118 54.877 -5.977 0.956 1.00 0.00 N ATOM 460 CA LEU A 118 55.183 -5.339 -0.358 1.00 0.00 C ATOM 461 C LEU A 118 54.426 -6.053 -1.482 1.00 0.00 C ATOM 462 O LEU A 118 54.059 -5.455 -2.474 1.00 0.00 O ATOM 463 CB LEU A 118 56.692 -5.502 -0.543 1.00 0.00 C ATOM 464 CG LEU A 118 57.285 -4.185 -1.050 1.00 0.00 C ATOM 465 CD1 LEU A 118 57.090 -3.097 0.008 1.00 0.00 C ATOM 466 CD2 LEU A 118 58.780 -4.369 -1.321 1.00 0.00 C ATOM 0 H LEU A 118 55.682 -6.360 1.451 1.00 0.00 H new ATOM 0 HA LEU A 118 54.882 -4.292 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 118 57.157 -5.784 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.899 -6.304 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 118 56.782 -3.891 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.512 -2.159 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 118 56.026 -2.965 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 118 57.593 -3.391 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 118 59.202 -3.431 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 118 59.283 -4.663 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 118 58.921 -5.144 -2.074 1.00 0.00 H new ATOM 478 N GLY A 119 54.193 -7.329 -1.336 1.00 0.00 N ATOM 479 CA GLY A 119 53.465 -8.079 -2.398 1.00 0.00 C ATOM 480 C GLY A 119 51.984 -7.698 -2.377 1.00 0.00 C ATOM 481 O GLY A 119 51.496 -7.010 -3.251 1.00 0.00 O ATOM 0 H GLY A 119 54.475 -7.884 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.894 -7.854 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.576 -9.152 -2.240 1.00 0.00 H new ATOM 485 N GLU A 120 51.262 -8.143 -1.385 1.00 0.00 N ATOM 486 CA GLU A 120 49.810 -7.808 -1.308 1.00 0.00 C ATOM 487 C GLU A 120 49.579 -6.338 -1.667 1.00 0.00 C ATOM 488 O GLU A 120 48.664 -6.004 -2.390 1.00 0.00 O ATOM 489 CB GLU A 120 49.419 -8.074 0.148 1.00 0.00 C ATOM 490 CG GLU A 120 50.182 -7.118 1.067 1.00 0.00 C ATOM 491 CD GLU A 120 49.875 -7.460 2.526 1.00 0.00 C ATOM 492 OE1 GLU A 120 50.534 -8.336 3.060 1.00 0.00 O ATOM 493 OE2 GLU A 120 48.987 -6.837 3.084 1.00 0.00 O ATOM 0 H GLU A 120 51.614 -8.724 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 120 49.215 -8.398 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.345 -7.939 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.645 -9.107 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 120 51.253 -7.196 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 120 49.896 -6.088 0.856 1.00 0.00 H new ATOM 500 N ILE A 121 50.400 -5.460 -1.162 1.00 0.00 N ATOM 501 CA ILE A 121 50.226 -4.010 -1.468 1.00 0.00 C ATOM 502 C ILE A 121 50.280 -3.766 -2.981 1.00 0.00 C ATOM 503 O ILE A 121 49.422 -3.115 -3.544 1.00 0.00 O ATOM 504 CB ILE A 121 51.400 -3.323 -0.770 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.101 -3.209 0.726 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.606 -1.923 -1.355 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.404 -2.977 1.490 1.00 0.00 C ATOM 0 H ILE A 121 51.185 -5.683 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 121 49.263 -3.630 -1.128 1.00 0.00 H new ATOM 0 HB ILE A 121 52.305 -3.912 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.409 -2.387 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 121 50.616 -4.118 1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.444 -1.439 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.818 -2.002 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.703 -1.330 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.191 -2.896 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.081 -3.814 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.871 -2.056 1.142 1.00 0.00 H new ATOM 519 N LEU A 122 51.286 -4.274 -3.640 1.00 0.00 N ATOM 520 CA LEU A 122 51.397 -4.060 -5.112 1.00 0.00 C ATOM 521 C LEU A 122 50.280 -4.799 -5.857 1.00 0.00 C ATOM 522 O LEU A 122 49.383 -4.193 -6.408 1.00 0.00 O ATOM 523 CB LEU A 122 52.763 -4.634 -5.490 1.00 0.00 C ATOM 524 CG LEU A 122 53.853 -3.608 -5.176 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.213 -4.304 -5.128 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.869 -2.534 -6.266 1.00 0.00 C ATOM 0 H LEU A 122 52.035 -4.827 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 122 51.302 -3.007 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 122 52.947 -5.556 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.782 -4.887 -6.550 1.00 0.00 H new ATOM 0 HG LEU A 122 53.649 -3.146 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.989 -3.572 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.203 -5.070 -4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.419 -4.767 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 122 54.645 -1.802 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 122 54.073 -2.998 -7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.900 -2.036 -6.301 1.00 0.00 H new ATOM 538 N ARG A 123 50.332 -6.103 -5.884 1.00 0.00 N ATOM 539 CA ARG A 123 49.276 -6.877 -6.601 1.00 0.00 C ATOM 540 C ARG A 123 47.881 -6.411 -6.174 1.00 0.00 C ATOM 541 O ARG A 123 46.919 -6.563 -6.901 1.00 0.00 O ATOM 542 CB ARG A 123 49.506 -8.340 -6.205 1.00 0.00 C ATOM 543 CG ARG A 123 49.836 -8.432 -4.715 1.00 0.00 C ATOM 544 CD ARG A 123 49.137 -9.652 -4.112 1.00 0.00 C ATOM 545 NE ARG A 123 47.706 -9.257 -4.001 1.00 0.00 N ATOM 546 CZ ARG A 123 46.807 -10.147 -3.682 1.00 0.00 C ATOM 547 NH1 ARG A 123 46.315 -10.934 -4.599 1.00 0.00 N ATOM 548 NH2 ARG A 123 46.400 -10.249 -2.446 1.00 0.00 N ATOM 0 H ARG A 123 51.058 -6.666 -5.442 1.00 0.00 H new ATOM 0 HA ARG A 123 49.333 -6.737 -7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 123 48.616 -8.929 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 123 50.321 -8.761 -6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 123 50.914 -8.511 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 123 49.514 -7.525 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 123 49.257 -10.530 -4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 123 49.554 -9.905 -3.137 1.00 0.00 H new ATOM 0 HE ARG A 123 47.428 -8.291 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 123 46.633 -10.853 -5.565 1.00 0.00 H new ATOM 0 HH12 ARG A 123 45.612 -11.630 -4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 123 46.785 -9.633 -1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 123 45.697 -10.945 -2.196 1.00 0.00 H new ATOM 562 N ALA A 124 47.759 -5.840 -5.006 1.00 0.00 N ATOM 563 CA ALA A 124 46.422 -5.364 -4.548 1.00 0.00 C ATOM 564 C ALA A 124 45.817 -4.420 -5.590 1.00 0.00 C ATOM 565 O ALA A 124 44.653 -4.507 -5.922 1.00 0.00 O ATOM 566 CB ALA A 124 46.689 -4.612 -3.244 1.00 0.00 C ATOM 0 H ALA A 124 48.525 -5.683 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 124 45.719 -6.185 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.749 -4.231 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 124 47.143 -5.289 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.366 -3.780 -3.436 1.00 0.00 H new ATOM 572 N THR A 125 46.605 -3.517 -6.108 1.00 0.00 N ATOM 573 CA THR A 125 46.078 -2.563 -7.128 1.00 0.00 C ATOM 574 C THR A 125 46.043 -3.222 -8.510 1.00 0.00 C ATOM 575 O THR A 125 45.803 -2.575 -9.510 1.00 0.00 O ATOM 576 CB THR A 125 47.047 -1.379 -7.118 1.00 0.00 C ATOM 577 OG1 THR A 125 46.768 -0.534 -8.225 1.00 0.00 O ATOM 578 CG2 THR A 125 48.486 -1.885 -7.216 1.00 0.00 C ATOM 0 H THR A 125 47.590 -3.398 -5.870 1.00 0.00 H new ATOM 0 HA THR A 125 45.058 -2.250 -6.903 1.00 0.00 H new ATOM 0 HB THR A 125 46.925 -0.822 -6.189 1.00 0.00 H new ATOM 0 HG1 THR A 125 46.083 -0.949 -8.789 1.00 0.00 H new ATOM 0 HG21 THR A 125 49.171 -1.037 -7.208 1.00 0.00 H new ATOM 0 HG22 THR A 125 48.702 -2.534 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 125 48.612 -2.445 -8.142 1.00 0.00 H new ATOM 586 N GLY A 126 46.275 -4.505 -8.575 1.00 0.00 N ATOM 587 CA GLY A 126 46.249 -5.202 -9.893 1.00 0.00 C ATOM 588 C GLY A 126 47.628 -5.120 -10.547 1.00 0.00 C ATOM 589 O GLY A 126 47.775 -5.329 -11.736 1.00 0.00 O ATOM 0 H GLY A 126 46.481 -5.101 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 126 45.961 -6.245 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 126 45.501 -4.746 -10.541 1.00 0.00 H new ATOM 593 N GLU A 127 48.641 -4.820 -9.782 1.00 0.00 N ATOM 594 CA GLU A 127 50.010 -4.727 -10.364 1.00 0.00 C ATOM 595 C GLU A 127 50.649 -6.117 -10.436 1.00 0.00 C ATOM 596 O GLU A 127 50.804 -6.790 -9.438 1.00 0.00 O ATOM 597 CB GLU A 127 50.790 -3.828 -9.406 1.00 0.00 C ATOM 598 CG GLU A 127 50.444 -2.365 -9.683 1.00 0.00 C ATOM 599 CD GLU A 127 51.381 -1.459 -8.882 1.00 0.00 C ATOM 600 OE1 GLU A 127 51.619 -1.761 -7.725 1.00 0.00 O ATOM 601 OE2 GLU A 127 51.845 -0.478 -9.441 1.00 0.00 O ATOM 0 H GLU A 127 48.581 -4.635 -8.781 1.00 0.00 H new ATOM 0 HA GLU A 127 50.000 -4.328 -11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 127 50.547 -4.081 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 127 51.861 -3.989 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 127 50.539 -2.153 -10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 127 49.408 -2.167 -9.409 1.00 0.00 H new ATOM 608 N HIS A 128 51.018 -6.550 -11.609 1.00 0.00 N ATOM 609 CA HIS A 128 51.645 -7.896 -11.740 1.00 0.00 C ATOM 610 C HIS A 128 53.089 -7.858 -11.231 1.00 0.00 C ATOM 611 O HIS A 128 54.016 -7.646 -11.988 1.00 0.00 O ATOM 612 CB HIS A 128 51.611 -8.208 -13.236 1.00 0.00 C ATOM 613 CG HIS A 128 50.944 -9.537 -13.453 1.00 0.00 C ATOM 614 ND1 HIS A 128 51.612 -10.617 -14.005 1.00 0.00 N ATOM 615 CD2 HIS A 128 49.668 -9.976 -13.195 1.00 0.00 C ATOM 616 CE1 HIS A 128 50.746 -11.645 -14.061 1.00 0.00 C ATOM 617 NE2 HIS A 128 49.545 -11.308 -13.580 1.00 0.00 N ATOM 0 H HIS A 128 50.913 -6.032 -12.481 1.00 0.00 H new ATOM 0 HA HIS A 128 51.122 -8.653 -11.156 1.00 0.00 H new ATOM 0 HB2 HIS A 128 51.071 -7.426 -13.770 1.00 0.00 H new ATOM 0 HB3 HIS A 128 52.624 -8.227 -13.638 1.00 0.00 H new ATOM 0 HD2 HIS A 128 48.880 -9.379 -12.760 1.00 0.00 H new ATOM 0 HE1 HIS A 128 50.991 -12.623 -14.447 1.00 0.00 H new ATOM 0 HE2 HIS A 128 48.717 -11.900 -13.510 1.00 0.00 H new ATOM 625 N VAL A 129 53.286 -8.063 -9.958 1.00 0.00 N ATOM 626 CA VAL A 129 54.672 -8.038 -9.405 1.00 0.00 C ATOM 627 C VAL A 129 55.106 -9.448 -9.001 1.00 0.00 C ATOM 628 O VAL A 129 54.307 -10.252 -8.564 1.00 0.00 O ATOM 629 CB VAL A 129 54.599 -7.132 -8.176 1.00 0.00 C ATOM 630 CG1 VAL A 129 56.011 -6.695 -7.780 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.756 -5.896 -8.495 1.00 0.00 C ATOM 0 H VAL A 129 52.549 -8.247 -9.277 1.00 0.00 H new ATOM 0 HA VAL A 129 55.396 -7.676 -10.135 1.00 0.00 H new ATOM 0 HB VAL A 129 54.141 -7.679 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.960 -6.049 -6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.612 -7.574 -7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.468 -6.150 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 129 53.706 -5.253 -7.616 1.00 0.00 H new ATOM 0 HG22 VAL A 129 54.211 -5.348 -9.320 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.749 -6.205 -8.776 1.00 0.00 H new ATOM 641 N ILE A 130 56.366 -9.757 -9.142 1.00 0.00 N ATOM 642 CA ILE A 130 56.847 -11.116 -8.764 1.00 0.00 C ATOM 643 C ILE A 130 57.904 -11.015 -7.662 1.00 0.00 C ATOM 644 O ILE A 130 58.511 -9.983 -7.461 1.00 0.00 O ATOM 645 CB ILE A 130 57.455 -11.688 -10.043 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.663 -10.845 -10.453 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.411 -11.659 -11.161 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.291 -11.435 -11.716 1.00 0.00 C ATOM 0 H ILE A 130 57.083 -9.127 -9.502 1.00 0.00 H new ATOM 0 HA ILE A 130 56.047 -11.746 -8.376 1.00 0.00 H new ATOM 0 HB ILE A 130 57.771 -12.716 -9.867 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.357 -9.815 -10.634 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.395 -10.823 -9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 130 56.844 -12.067 -12.074 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.549 -12.258 -10.869 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.095 -10.631 -11.337 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.152 -10.834 -12.009 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.612 -12.458 -11.519 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.557 -11.434 -12.522 1.00 0.00 H new ATOM 660 N GLU A 131 58.126 -12.084 -6.946 1.00 0.00 N ATOM 661 CA GLU A 131 59.142 -12.059 -5.854 1.00 0.00 C ATOM 662 C GLU A 131 60.391 -11.294 -6.301 1.00 0.00 C ATOM 663 O GLU A 131 60.876 -10.420 -5.610 1.00 0.00 O ATOM 664 CB GLU A 131 59.478 -13.528 -5.597 1.00 0.00 C ATOM 665 CG GLU A 131 59.592 -13.771 -4.091 1.00 0.00 C ATOM 666 CD GLU A 131 59.520 -15.273 -3.810 1.00 0.00 C ATOM 667 OE1 GLU A 131 58.419 -15.771 -3.640 1.00 0.00 O ATOM 668 OE2 GLU A 131 60.565 -15.899 -3.770 1.00 0.00 O ATOM 0 H GLU A 131 57.647 -12.976 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 131 58.771 -11.559 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 131 58.705 -14.168 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 131 60.414 -13.789 -6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 131 60.532 -13.365 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 131 58.789 -13.253 -3.566 1.00 0.00 H new ATOM 675 N GLU A 132 60.916 -11.620 -7.450 1.00 0.00 N ATOM 676 CA GLU A 132 62.138 -10.917 -7.940 1.00 0.00 C ATOM 677 C GLU A 132 61.942 -9.398 -7.885 1.00 0.00 C ATOM 678 O GLU A 132 62.884 -8.648 -7.724 1.00 0.00 O ATOM 679 CB GLU A 132 62.307 -11.382 -9.387 1.00 0.00 C ATOM 680 CG GLU A 132 63.788 -11.649 -9.665 1.00 0.00 C ATOM 681 CD GLU A 132 63.939 -12.320 -11.031 1.00 0.00 C ATOM 682 OE1 GLU A 132 63.439 -11.769 -11.998 1.00 0.00 O ATOM 683 OE2 GLU A 132 64.552 -13.373 -11.086 1.00 0.00 O ATOM 0 H GLU A 132 60.553 -12.343 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 132 63.013 -11.143 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.724 -12.287 -9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 132 61.928 -10.623 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 132 64.347 -10.714 -9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 132 64.206 -12.287 -8.886 1.00 0.00 H new ATOM 690 N ASP A 133 60.728 -8.939 -8.015 1.00 0.00 N ATOM 691 CA ASP A 133 60.476 -7.471 -7.968 1.00 0.00 C ATOM 692 C ASP A 133 60.247 -7.032 -6.521 1.00 0.00 C ATOM 693 O ASP A 133 60.755 -6.021 -6.076 1.00 0.00 O ATOM 694 CB ASP A 133 59.212 -7.259 -8.801 1.00 0.00 C ATOM 695 CG ASP A 133 59.536 -6.383 -10.011 1.00 0.00 C ATOM 696 OD1 ASP A 133 60.264 -6.845 -10.875 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.050 -5.265 -10.055 1.00 0.00 O ATOM 0 H ASP A 133 59.899 -9.517 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 133 61.315 -6.890 -8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 133 58.816 -8.220 -9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 133 58.439 -6.787 -8.194 1.00 0.00 H new ATOM 702 N ILE A 134 59.483 -7.790 -5.788 1.00 0.00 N ATOM 703 CA ILE A 134 59.209 -7.435 -4.367 1.00 0.00 C ATOM 704 C ILE A 134 60.483 -7.572 -3.530 1.00 0.00 C ATOM 705 O ILE A 134 60.744 -6.785 -2.642 1.00 0.00 O ATOM 706 CB ILE A 134 58.166 -8.450 -3.916 1.00 0.00 C ATOM 707 CG1 ILE A 134 56.933 -8.333 -4.811 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.778 -8.169 -2.465 1.00 0.00 C ATOM 709 CD1 ILE A 134 55.828 -9.233 -4.267 1.00 0.00 C ATOM 0 H ILE A 134 59.033 -8.646 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 134 58.866 -6.407 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 134 58.575 -9.458 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.591 -7.299 -4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.182 -8.621 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.032 -8.894 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.661 -8.248 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.364 -7.164 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 134 54.947 -9.152 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.173 -10.267 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.573 -8.924 -3.253 1.00 0.00 H new ATOM 721 N GLU A 135 61.273 -8.572 -3.805 1.00 0.00 N ATOM 722 CA GLU A 135 62.526 -8.774 -3.028 1.00 0.00 C ATOM 723 C GLU A 135 63.517 -7.636 -3.305 1.00 0.00 C ATOM 724 O GLU A 135 64.234 -7.197 -2.426 1.00 0.00 O ATOM 725 CB GLU A 135 63.065 -10.117 -3.531 1.00 0.00 C ATOM 726 CG GLU A 135 64.566 -10.210 -3.265 1.00 0.00 C ATOM 727 CD GLU A 135 64.938 -11.656 -2.929 1.00 0.00 C ATOM 728 OE1 GLU A 135 64.048 -12.492 -2.928 1.00 0.00 O ATOM 729 OE2 GLU A 135 66.105 -11.903 -2.677 1.00 0.00 O ATOM 0 H GLU A 135 61.103 -9.261 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 135 62.363 -8.775 -1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 135 62.547 -10.936 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 135 62.869 -10.220 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 135 65.122 -9.874 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 135 64.841 -9.552 -2.441 1.00 0.00 H new ATOM 736 N ASP A 136 63.568 -7.160 -4.518 1.00 0.00 N ATOM 737 CA ASP A 136 64.517 -6.055 -4.848 1.00 0.00 C ATOM 738 C ASP A 136 64.255 -4.833 -3.960 1.00 0.00 C ATOM 739 O ASP A 136 65.154 -4.304 -3.337 1.00 0.00 O ATOM 740 CB ASP A 136 64.235 -5.719 -6.313 1.00 0.00 C ATOM 741 CG ASP A 136 65.404 -4.916 -6.888 1.00 0.00 C ATOM 742 OD1 ASP A 136 65.628 -3.813 -6.418 1.00 0.00 O ATOM 743 OD2 ASP A 136 66.056 -5.420 -7.789 1.00 0.00 O ATOM 0 H ASP A 136 62.995 -7.487 -5.296 1.00 0.00 H new ATOM 0 HA ASP A 136 65.555 -6.345 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.093 -6.635 -6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.312 -5.146 -6.394 1.00 0.00 H new ATOM 748 N LEU A 137 63.035 -4.375 -3.910 1.00 0.00 N ATOM 749 CA LEU A 137 62.715 -3.179 -3.075 1.00 0.00 C ATOM 750 C LEU A 137 63.272 -3.338 -1.656 1.00 0.00 C ATOM 751 O LEU A 137 63.843 -2.420 -1.100 1.00 0.00 O ATOM 752 CB LEU A 137 61.189 -3.114 -3.046 1.00 0.00 C ATOM 753 CG LEU A 137 60.719 -1.869 -3.798 1.00 0.00 C ATOM 754 CD1 LEU A 137 61.224 -1.924 -5.241 1.00 0.00 C ATOM 755 CD2 LEU A 137 59.189 -1.818 -3.796 1.00 0.00 C ATOM 0 H LEU A 137 62.243 -4.777 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 137 63.159 -2.270 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.767 -4.009 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.835 -3.085 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 137 61.113 -0.979 -3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 137 60.889 -1.036 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 137 62.313 -1.960 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 137 60.830 -2.814 -5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 137 58.854 -0.930 -4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 137 58.795 -2.708 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 137 58.828 -1.779 -2.768 1.00 0.00 H new ATOM 767 N MET A 138 63.109 -4.487 -1.062 1.00 0.00 N ATOM 768 CA MET A 138 63.628 -4.687 0.322 1.00 0.00 C ATOM 769 C MET A 138 65.155 -4.595 0.328 1.00 0.00 C ATOM 770 O MET A 138 65.744 -3.915 1.144 1.00 0.00 O ATOM 771 CB MET A 138 63.172 -6.093 0.716 1.00 0.00 C ATOM 772 CG MET A 138 63.728 -6.440 2.099 1.00 0.00 C ATOM 773 SD MET A 138 62.380 -7.009 3.166 1.00 0.00 S ATOM 774 CE MET A 138 61.751 -5.375 3.625 1.00 0.00 C ATOM 0 H MET A 138 62.640 -5.295 -1.472 1.00 0.00 H new ATOM 0 HA MET A 138 63.261 -3.931 1.017 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.083 -6.144 0.726 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.518 -6.819 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.490 -7.215 2.013 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.210 -5.567 2.538 1.00 0.00 H new ATOM 0 HE1 MET A 138 60.667 -5.418 3.726 1.00 0.00 H new ATOM 0 HE2 MET A 138 62.192 -5.069 4.573 1.00 0.00 H new ATOM 0 HE3 MET A 138 62.015 -4.653 2.852 1.00 0.00 H new ATOM 784 N LYS A 139 65.799 -5.279 -0.575 1.00 0.00 N ATOM 785 CA LYS A 139 67.287 -5.240 -0.623 1.00 0.00 C ATOM 786 C LYS A 139 67.789 -3.793 -0.621 1.00 0.00 C ATOM 787 O LYS A 139 68.522 -3.380 0.256 1.00 0.00 O ATOM 788 CB LYS A 139 67.655 -5.930 -1.936 1.00 0.00 C ATOM 789 CG LYS A 139 68.929 -6.754 -1.741 1.00 0.00 C ATOM 790 CD LYS A 139 68.643 -8.219 -2.079 1.00 0.00 C ATOM 791 CE LYS A 139 69.307 -9.123 -1.035 1.00 0.00 C ATOM 792 NZ LYS A 139 68.527 -8.916 0.220 1.00 0.00 N ATOM 0 H LYS A 139 65.358 -5.865 -1.284 1.00 0.00 H new ATOM 0 HA LYS A 139 67.738 -5.729 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 139 66.839 -6.575 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 139 67.806 -5.187 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 139 69.725 -6.371 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 139 69.277 -6.668 -0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 139 67.568 -8.396 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 139 69.022 -8.455 -3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 139 69.281 -10.167 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 139 70.355 -8.858 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 69.156 -8.552 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 67.764 -8.231 0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 68.116 -9.821 0.527 1.00 0.00 H new ATOM 806 N ASP A 140 67.408 -3.023 -1.604 1.00 0.00 N ATOM 807 CA ASP A 140 67.870 -1.605 -1.670 1.00 0.00 C ATOM 808 C ASP A 140 67.474 -0.845 -0.400 1.00 0.00 C ATOM 809 O ASP A 140 68.174 0.044 0.043 1.00 0.00 O ATOM 810 CB ASP A 140 67.159 -1.016 -2.889 1.00 0.00 C ATOM 811 CG ASP A 140 68.168 -0.252 -3.748 1.00 0.00 C ATOM 812 OD1 ASP A 140 69.352 -0.510 -3.610 1.00 0.00 O ATOM 813 OD2 ASP A 140 67.738 0.581 -4.531 1.00 0.00 O ATOM 0 H ASP A 140 66.796 -3.314 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 140 68.955 -1.533 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.697 -1.812 -3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 140 66.359 -0.349 -2.569 1.00 0.00 H new ATOM 818 N SER A 141 66.356 -1.177 0.183 1.00 0.00 N ATOM 819 CA SER A 141 65.922 -0.460 1.417 1.00 0.00 C ATOM 820 C SER A 141 66.553 -1.092 2.661 1.00 0.00 C ATOM 821 O SER A 141 67.301 -0.460 3.379 1.00 0.00 O ATOM 822 CB SER A 141 64.404 -0.618 1.453 1.00 0.00 C ATOM 823 OG SER A 141 63.833 0.490 2.137 1.00 0.00 O ATOM 0 H SER A 141 65.725 -1.911 -0.139 1.00 0.00 H new ATOM 0 HA SER A 141 66.228 0.586 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 141 64.009 -0.677 0.439 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.135 -1.548 1.955 1.00 0.00 H new ATOM 0 HG SER A 141 63.886 1.287 1.570 1.00 0.00 H new ATOM 829 N ASP A 142 66.248 -2.332 2.927 1.00 0.00 N ATOM 830 CA ASP A 142 66.821 -3.000 4.131 1.00 0.00 C ATOM 831 C ASP A 142 68.330 -2.753 4.218 1.00 0.00 C ATOM 832 O ASP A 142 69.119 -3.467 3.631 1.00 0.00 O ATOM 833 CB ASP A 142 66.535 -4.489 3.935 1.00 0.00 C ATOM 834 CG ASP A 142 65.906 -5.059 5.207 1.00 0.00 C ATOM 835 OD1 ASP A 142 65.305 -4.292 5.940 1.00 0.00 O ATOM 836 OD2 ASP A 142 66.038 -6.251 5.425 1.00 0.00 O ATOM 0 H ASP A 142 65.627 -2.912 2.363 1.00 0.00 H new ATOM 0 HA ASP A 142 66.386 -2.617 5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 142 65.864 -4.633 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.458 -5.020 3.703 1.00 0.00 H new ATOM 841 N LYS A 143 68.737 -1.757 4.957 1.00 0.00 N ATOM 842 CA LYS A 143 70.196 -1.479 5.089 1.00 0.00 C ATOM 843 C LYS A 143 70.770 -2.268 6.269 1.00 0.00 C ATOM 844 O LYS A 143 71.957 -2.253 6.523 1.00 0.00 O ATOM 845 CB LYS A 143 70.296 0.025 5.349 1.00 0.00 C ATOM 846 CG LYS A 143 71.761 0.461 5.263 1.00 0.00 C ATOM 847 CD LYS A 143 71.842 1.877 4.688 1.00 0.00 C ATOM 848 CE LYS A 143 71.180 2.860 5.659 1.00 0.00 C ATOM 849 NZ LYS A 143 72.255 3.822 6.039 1.00 0.00 N ATOM 0 H LYS A 143 68.125 -1.126 5.474 1.00 0.00 H new ATOM 0 HA LYS A 143 70.757 -1.772 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.699 0.572 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 143 69.892 0.263 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 143 72.218 0.433 6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 143 72.320 -0.231 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 143 72.883 2.156 4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 143 71.345 1.917 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 143 70.341 3.373 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 143 70.787 2.343 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 71.873 4.525 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 73.037 3.307 6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 72.605 4.305 5.187 1.00 0.00 H new ATOM 863 N ASN A 144 69.930 -2.962 6.990 1.00 0.00 N ATOM 864 CA ASN A 144 70.421 -3.759 8.152 1.00 0.00 C ATOM 865 C ASN A 144 70.076 -5.238 7.953 1.00 0.00 C ATOM 866 O ASN A 144 70.183 -6.040 8.859 1.00 0.00 O ATOM 867 CB ASN A 144 69.682 -3.191 9.365 1.00 0.00 C ATOM 868 CG ASN A 144 69.697 -1.662 9.306 1.00 0.00 C ATOM 869 OD1 ASN A 144 70.731 -1.046 9.476 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.587 -1.017 9.071 1.00 0.00 N ATOM 0 H ASN A 144 68.925 -3.011 6.824 1.00 0.00 H new ATOM 0 HA ASN A 144 71.502 -3.696 8.273 1.00 0.00 H new ATOM 0 HB2 ASN A 144 68.654 -3.554 9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.155 -3.534 10.285 1.00 0.00 H new ATOM 0 HD21 ASN A 144 68.588 0.002 9.030 1.00 0.00 H new ATOM 0 HD22 ASN A 144 67.718 -1.532 8.928 1.00 0.00 H new ATOM 877 N ASN A 145 69.663 -5.602 6.770 1.00 0.00 N ATOM 878 CA ASN A 145 69.311 -7.026 6.502 1.00 0.00 C ATOM 879 C ASN A 145 68.334 -7.543 7.561 1.00 0.00 C ATOM 880 O ASN A 145 68.423 -8.671 8.004 1.00 0.00 O ATOM 881 CB ASN A 145 70.635 -7.785 6.582 1.00 0.00 C ATOM 882 CG ASN A 145 70.971 -8.368 5.208 1.00 0.00 C ATOM 883 OD1 ASN A 145 70.194 -9.116 4.647 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.102 -8.055 4.638 1.00 0.00 N ATOM 0 H ASN A 145 69.554 -4.973 5.975 1.00 0.00 H new ATOM 0 HA ASN A 145 68.825 -7.152 5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.431 -7.116 6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.565 -8.583 7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 145 72.334 -8.438 3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 145 72.754 -7.427 5.109 1.00 0.00 H new ATOM 891 N ASP A 146 67.398 -6.729 7.967 1.00 0.00 N ATOM 892 CA ASP A 146 66.414 -7.179 8.995 1.00 0.00 C ATOM 893 C ASP A 146 65.088 -7.555 8.329 1.00 0.00 C ATOM 894 O ASP A 146 64.046 -7.549 8.952 1.00 0.00 O ATOM 895 CB ASP A 146 66.228 -5.977 9.921 1.00 0.00 C ATOM 896 CG ASP A 146 65.830 -4.754 9.095 1.00 0.00 C ATOM 897 OD1 ASP A 146 65.057 -4.917 8.165 1.00 0.00 O ATOM 898 OD2 ASP A 146 66.306 -3.674 9.405 1.00 0.00 O ATOM 0 H ASP A 146 67.271 -5.774 7.633 1.00 0.00 H new ATOM 0 HA ASP A 146 66.758 -8.060 9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.460 -6.192 10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 146 67.151 -5.777 10.465 1.00 0.00 H new ATOM 903 N GLY A 147 65.121 -7.884 7.066 1.00 0.00 N ATOM 904 CA GLY A 147 63.865 -8.263 6.357 1.00 0.00 C ATOM 905 C GLY A 147 62.751 -7.275 6.711 1.00 0.00 C ATOM 906 O GLY A 147 61.598 -7.643 6.827 1.00 0.00 O ATOM 0 H GLY A 147 65.965 -7.907 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.032 -8.267 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 147 63.569 -9.274 6.637 1.00 0.00 H new ATOM 910 N ARG A 148 63.081 -6.024 6.884 1.00 0.00 N ATOM 911 CA ARG A 148 62.033 -5.022 7.230 1.00 0.00 C ATOM 912 C ARG A 148 62.501 -3.611 6.866 1.00 0.00 C ATOM 913 O ARG A 148 63.575 -3.187 7.242 1.00 0.00 O ATOM 914 CB ARG A 148 61.846 -5.151 8.742 1.00 0.00 C ATOM 915 CG ARG A 148 60.902 -6.315 9.038 1.00 0.00 C ATOM 916 CD ARG A 148 60.192 -6.071 10.371 1.00 0.00 C ATOM 917 NE ARG A 148 59.621 -7.392 10.749 1.00 0.00 N ATOM 918 CZ ARG A 148 58.366 -7.486 11.091 1.00 0.00 C ATOM 919 NH1 ARG A 148 57.821 -6.561 11.833 1.00 0.00 N ATOM 920 NH2 ARG A 148 57.656 -8.504 10.690 1.00 0.00 N ATOM 0 H ARG A 148 64.028 -5.653 6.801 1.00 0.00 H new ATOM 0 HA ARG A 148 61.104 -5.195 6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.809 -5.317 9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.439 -4.226 9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 148 60.170 -6.416 8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.461 -7.250 9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 148 60.888 -5.710 11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 148 59.411 -5.317 10.270 1.00 0.00 H new ATOM 0 HE ARG A 148 60.211 -8.224 10.741 1.00 0.00 H new ATOM 0 HH11 ARG A 148 58.377 -5.765 12.145 1.00 0.00 H new ATOM 0 HH12 ARG A 148 56.839 -6.634 12.101 1.00 0.00 H new ATOM 0 HH21 ARG A 148 58.082 -9.226 10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 148 56.674 -8.578 10.957 1.00 0.00 H new ATOM 934 N ILE A 149 61.702 -2.882 6.137 1.00 0.00 N ATOM 935 CA ILE A 149 62.099 -1.498 5.750 1.00 0.00 C ATOM 936 C ILE A 149 61.746 -0.516 6.872 1.00 0.00 C ATOM 937 O ILE A 149 61.021 -0.841 7.791 1.00 0.00 O ATOM 938 CB ILE A 149 61.291 -1.193 4.484 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.977 -1.837 3.279 1.00 0.00 C ATOM 940 CG2 ILE A 149 61.210 0.321 4.270 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.926 -2.498 2.386 1.00 0.00 C ATOM 0 H ILE A 149 60.791 -3.184 5.792 1.00 0.00 H new ATOM 0 HA ILE A 149 63.171 -1.405 5.576 1.00 0.00 H new ATOM 0 HB ILE A 149 60.284 -1.595 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.527 -1.084 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.703 -2.578 3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.634 0.531 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.722 0.784 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 149 62.216 0.727 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.415 -2.957 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.396 -3.263 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.217 -1.746 2.041 1.00 0.00 H new ATOM 953 N ASP A 150 62.254 0.683 6.800 1.00 0.00 N ATOM 954 CA ASP A 150 61.950 1.689 7.857 1.00 0.00 C ATOM 955 C ASP A 150 61.957 3.099 7.257 1.00 0.00 C ATOM 956 O ASP A 150 61.892 3.273 6.056 1.00 0.00 O ATOM 957 CB ASP A 150 63.071 1.536 8.886 1.00 0.00 C ATOM 958 CG ASP A 150 64.419 1.824 8.222 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.417 2.365 7.129 1.00 0.00 O ATOM 960 OD2 ASP A 150 65.432 1.498 8.820 1.00 0.00 O ATOM 0 H ASP A 150 62.868 1.010 6.054 1.00 0.00 H new ATOM 0 HA ASP A 150 60.967 1.537 8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.910 2.221 9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.065 0.527 9.298 1.00 0.00 H new ATOM 965 N PHE A 151 62.034 4.107 8.082 1.00 0.00 N ATOM 966 CA PHE A 151 62.045 5.503 7.556 1.00 0.00 C ATOM 967 C PHE A 151 63.303 5.748 6.719 1.00 0.00 C ATOM 968 O PHE A 151 63.230 6.136 5.570 1.00 0.00 O ATOM 969 CB PHE A 151 62.047 6.394 8.799 1.00 0.00 C ATOM 970 CG PHE A 151 60.995 7.468 8.655 1.00 0.00 C ATOM 971 CD1 PHE A 151 59.646 7.158 8.865 1.00 0.00 C ATOM 972 CD2 PHE A 151 61.369 8.773 8.312 1.00 0.00 C ATOM 973 CE1 PHE A 151 58.671 8.154 8.733 1.00 0.00 C ATOM 974 CE2 PHE A 151 60.394 9.768 8.179 1.00 0.00 C ATOM 975 CZ PHE A 151 59.044 9.459 8.390 1.00 0.00 C ATOM 0 H PHE A 151 62.090 4.025 9.097 1.00 0.00 H new ATOM 0 HA PHE A 151 61.191 5.705 6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 151 61.850 5.795 9.688 1.00 0.00 H new ATOM 0 HB3 PHE A 151 63.029 6.848 8.931 1.00 0.00 H new ATOM 0 HD1 PHE A 151 59.358 6.151 9.129 1.00 0.00 H new ATOM 0 HD2 PHE A 151 62.410 9.012 8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 151 57.630 7.915 8.896 1.00 0.00 H new ATOM 0 HE2 PHE A 151 60.682 10.774 7.914 1.00 0.00 H new ATOM 0 HZ PHE A 151 58.292 10.227 8.288 1.00 0.00 H new ATOM 985 N ASP A 152 64.456 5.531 7.287 1.00 0.00 N ATOM 986 CA ASP A 152 65.719 5.757 6.528 1.00 0.00 C ATOM 987 C ASP A 152 65.743 4.907 5.253 1.00 0.00 C ATOM 988 O ASP A 152 65.892 5.415 4.159 1.00 0.00 O ATOM 989 CB ASP A 152 66.835 5.324 7.480 1.00 0.00 C ATOM 990 CG ASP A 152 67.576 6.559 7.997 1.00 0.00 C ATOM 991 OD1 ASP A 152 66.982 7.305 8.758 1.00 0.00 O ATOM 992 OD2 ASP A 152 68.723 6.737 7.623 1.00 0.00 O ATOM 0 H ASP A 152 64.579 5.206 8.246 1.00 0.00 H new ATOM 0 HA ASP A 152 65.826 6.795 6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.417 4.762 8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.529 4.660 6.965 1.00 0.00 H new ATOM 997 N GLU A 153 65.604 3.616 5.386 1.00 0.00 N ATOM 998 CA GLU A 153 65.626 2.735 4.181 1.00 0.00 C ATOM 999 C GLU A 153 64.503 3.122 3.212 1.00 0.00 C ATOM 1000 O GLU A 153 64.709 3.214 2.017 1.00 0.00 O ATOM 1001 CB GLU A 153 65.415 1.321 4.723 1.00 0.00 C ATOM 1002 CG GLU A 153 66.566 0.962 5.666 1.00 0.00 C ATOM 1003 CD GLU A 153 66.196 -0.281 6.478 1.00 0.00 C ATOM 1004 OE1 GLU A 153 65.012 -0.543 6.616 1.00 0.00 O ATOM 1005 OE2 GLU A 153 67.102 -0.949 6.948 1.00 0.00 O ATOM 0 H GLU A 153 65.476 3.133 6.275 1.00 0.00 H new ATOM 0 HA GLU A 153 66.558 2.822 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.464 1.261 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.368 0.607 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.475 0.777 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.775 1.797 6.335 1.00 0.00 H new ATOM 1012 N PHE A 154 63.319 3.353 3.712 1.00 0.00 N ATOM 1013 CA PHE A 154 62.192 3.736 2.810 1.00 0.00 C ATOM 1014 C PHE A 154 62.581 4.955 1.969 1.00 0.00 C ATOM 1015 O PHE A 154 62.465 4.949 0.759 1.00 0.00 O ATOM 1016 CB PHE A 154 61.032 4.075 3.750 1.00 0.00 C ATOM 1017 CG PHE A 154 59.976 4.854 2.999 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.292 4.257 1.932 1.00 0.00 C ATOM 1019 CD2 PHE A 154 59.683 6.172 3.369 1.00 0.00 C ATOM 1020 CE1 PHE A 154 58.313 4.979 1.237 1.00 0.00 C ATOM 1021 CE2 PHE A 154 58.705 6.893 2.674 1.00 0.00 C ATOM 1022 CZ PHE A 154 58.019 6.297 1.608 1.00 0.00 C ATOM 0 H PHE A 154 63.083 3.294 4.702 1.00 0.00 H new ATOM 0 HA PHE A 154 61.930 2.941 2.112 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.602 3.160 4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 154 61.396 4.659 4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.519 3.241 1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 154 60.212 6.632 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 154 57.785 4.519 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 154 58.479 7.910 2.960 1.00 0.00 H new ATOM 0 HZ PHE A 154 57.264 6.853 1.073 1.00 0.00 H new ATOM 1032 N LEU A 155 63.043 6.000 2.600 1.00 0.00 N ATOM 1033 CA LEU A 155 63.440 7.215 1.835 1.00 0.00 C ATOM 1034 C LEU A 155 64.508 6.860 0.796 1.00 0.00 C ATOM 1035 O LEU A 155 64.472 7.319 -0.328 1.00 0.00 O ATOM 1036 CB LEU A 155 64.011 8.173 2.881 1.00 0.00 C ATOM 1037 CG LEU A 155 62.908 8.572 3.863 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.538 9.085 5.159 1.00 0.00 C ATOM 1039 CD2 LEU A 155 62.050 9.677 3.242 1.00 0.00 C ATOM 0 H LEU A 155 63.162 6.064 3.611 1.00 0.00 H new ATOM 0 HA LEU A 155 62.602 7.654 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.833 7.697 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 155 64.418 9.060 2.394 1.00 0.00 H new ATOM 0 HG LEU A 155 62.285 7.705 4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 155 62.752 9.369 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.151 8.300 5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.161 9.952 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 155 61.263 9.963 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.674 10.544 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.600 9.313 2.318 1.00 0.00 H new ATOM 1051 N LYS A 156 65.460 6.048 1.167 1.00 0.00 N ATOM 1052 CA LYS A 156 66.531 5.665 0.202 1.00 0.00 C ATOM 1053 C LYS A 156 65.918 5.098 -1.081 1.00 0.00 C ATOM 1054 O LYS A 156 66.115 5.624 -2.158 1.00 0.00 O ATOM 1055 CB LYS A 156 67.350 4.593 0.924 1.00 0.00 C ATOM 1056 CG LYS A 156 68.839 4.828 0.661 1.00 0.00 C ATOM 1057 CD LYS A 156 69.465 5.538 1.863 1.00 0.00 C ATOM 1058 CE LYS A 156 70.930 5.863 1.560 1.00 0.00 C ATOM 1059 NZ LYS A 156 71.328 6.850 2.602 1.00 0.00 N ATOM 0 H LYS A 156 65.543 5.633 2.095 1.00 0.00 H new ATOM 0 HA LYS A 156 67.142 6.518 -0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 156 67.149 4.626 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 156 67.060 3.602 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 156 69.342 3.877 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 156 68.970 5.430 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 156 68.917 6.454 2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 156 69.398 4.905 2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 156 71.551 4.968 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 156 71.043 6.278 0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 72.322 7.122 2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 70.724 7.694 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 71.216 6.424 3.544 1.00 0.00 H new ATOM 1073 N MET A 157 65.175 4.027 -0.980 1.00 0.00 N ATOM 1074 CA MET A 157 64.558 3.437 -2.202 1.00 0.00 C ATOM 1075 C MET A 157 63.876 4.542 -3.017 1.00 0.00 C ATOM 1076 O MET A 157 64.124 4.701 -4.196 1.00 0.00 O ATOM 1077 CB MET A 157 63.560 2.380 -1.678 1.00 0.00 C ATOM 1078 CG MET A 157 62.107 2.879 -1.741 1.00 0.00 C ATOM 1079 SD MET A 157 60.981 1.460 -1.677 1.00 0.00 S ATOM 1080 CE MET A 157 61.350 0.942 0.017 1.00 0.00 C ATOM 0 H MET A 157 64.970 3.538 -0.108 1.00 0.00 H new ATOM 0 HA MET A 157 65.282 2.974 -2.873 1.00 0.00 H new ATOM 0 HB2 MET A 157 63.656 1.468 -2.267 1.00 0.00 H new ATOM 0 HB3 MET A 157 63.811 2.123 -0.649 1.00 0.00 H new ATOM 0 HG2 MET A 157 61.906 3.555 -0.909 1.00 0.00 H new ATOM 0 HG3 MET A 157 61.945 3.445 -2.658 1.00 0.00 H new ATOM 0 HE1 MET A 157 61.851 -0.026 0.001 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.999 1.679 0.490 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.422 0.860 0.583 1.00 0.00 H new ATOM 1090 N MET A 158 63.023 5.304 -2.394 1.00 0.00 N ATOM 1091 CA MET A 158 62.326 6.399 -3.128 1.00 0.00 C ATOM 1092 C MET A 158 62.927 7.756 -2.750 1.00 0.00 C ATOM 1093 O MET A 158 62.226 8.669 -2.360 1.00 0.00 O ATOM 1094 CB MET A 158 60.867 6.313 -2.677 1.00 0.00 C ATOM 1095 CG MET A 158 59.948 6.445 -3.893 1.00 0.00 C ATOM 1096 SD MET A 158 59.154 4.852 -4.223 1.00 0.00 S ATOM 1097 CE MET A 158 60.172 4.380 -5.643 1.00 0.00 C ATOM 0 H MET A 158 62.777 5.217 -1.408 1.00 0.00 H new ATOM 0 HA MET A 158 62.424 6.299 -4.209 1.00 0.00 H new ATOM 0 HB2 MET A 158 60.687 5.364 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 158 60.651 7.102 -1.957 1.00 0.00 H new ATOM 0 HG2 MET A 158 59.193 7.209 -3.710 1.00 0.00 H new ATOM 0 HG3 MET A 158 60.521 6.765 -4.763 1.00 0.00 H new ATOM 0 HE1 MET A 158 59.849 3.408 -6.015 1.00 0.00 H new ATOM 0 HE2 MET A 158 60.064 5.125 -6.432 1.00 0.00 H new ATOM 0 HE3 MET A 158 61.217 4.323 -5.339 1.00 0.00 H new