USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=8 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 Single : A 100 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.8!) 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 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot -77:sc= -0.628! USER MOD Single : A 128 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 138 MET CE :methyl 172:sc= -5.96! (180deg=-6.41!) USER MOD Single : A 139 LYS NZ :NH3+ 146:sc= -0.362 (180deg=-2.27!) USER MOD Single : A 141 SER OG : rot -7:sc= -0.34! USER MOD Single : A 143 LYS NZ :NH3+ -167:sc= -0.332 (180deg=-0.823) USER MOD Single : A 144 ASN : amide:sc= -1.17! X(o=-1.2!,f=-1.1) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 LYS NZ :NH3+ 141:sc= -0.133 (180deg=-0.533) USER MOD Single : A 157 MET CE :methyl -121:sc= -0.11 (180deg=-3.37!) USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 59.201 15.117 4.943 1.00 0.00 N ATOM 116 CA GLU A 96 57.925 15.249 5.700 1.00 0.00 C ATOM 117 C GLU A 96 56.801 14.515 4.962 1.00 0.00 C ATOM 118 O GLU A 96 56.230 13.568 5.465 1.00 0.00 O ATOM 119 CB GLU A 96 57.651 16.753 5.743 1.00 0.00 C ATOM 120 CG GLU A 96 56.294 17.011 6.403 1.00 0.00 C ATOM 121 CD GLU A 96 56.282 18.418 7.005 1.00 0.00 C ATOM 122 OE1 GLU A 96 56.992 18.631 7.975 1.00 0.00 O ATOM 123 OE2 GLU A 96 55.564 19.256 6.486 1.00 0.00 O ATOM 0 HA GLU A 96 57.983 14.817 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 96 58.439 17.260 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 96 57.659 17.163 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 96 55.495 16.911 5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 96 56.108 16.269 7.180 1.00 0.00 H new ATOM 130 N GLU A 97 56.484 14.944 3.771 1.00 0.00 N ATOM 131 CA GLU A 97 55.401 14.270 2.998 1.00 0.00 C ATOM 132 C GLU A 97 55.746 12.794 2.778 1.00 0.00 C ATOM 133 O GLU A 97 54.879 11.943 2.739 1.00 0.00 O ATOM 134 CB GLU A 97 55.348 15.010 1.661 1.00 0.00 C ATOM 135 CG GLU A 97 54.367 14.301 0.723 1.00 0.00 C ATOM 136 CD GLU A 97 52.996 14.971 0.816 1.00 0.00 C ATOM 137 OE1 GLU A 97 52.659 15.438 1.892 1.00 0.00 O ATOM 138 OE2 GLU A 97 52.307 15.007 -0.189 1.00 0.00 O ATOM 0 H GLU A 97 56.928 15.732 3.299 1.00 0.00 H new ATOM 0 HA GLU A 97 54.444 14.299 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 97 55.036 16.043 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 97 56.340 15.041 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 97 54.734 14.342 -0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.288 13.248 0.992 1.00 0.00 H new ATOM 145 N LEU A 98 57.006 12.486 2.631 1.00 0.00 N ATOM 146 CA LEU A 98 57.404 11.066 2.409 1.00 0.00 C ATOM 147 C LEU A 98 57.120 10.229 3.659 1.00 0.00 C ATOM 148 O LEU A 98 56.515 9.177 3.587 1.00 0.00 O ATOM 149 CB LEU A 98 58.905 11.118 2.121 1.00 0.00 C ATOM 150 CG LEU A 98 59.130 11.163 0.609 1.00 0.00 C ATOM 151 CD1 LEU A 98 59.751 12.506 0.224 1.00 0.00 C ATOM 152 CD2 LEU A 98 60.074 10.031 0.201 1.00 0.00 C ATOM 0 H LEU A 98 57.776 13.155 2.655 1.00 0.00 H new ATOM 0 HA LEU A 98 56.848 10.604 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 98 59.347 11.996 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 98 59.399 10.245 2.548 1.00 0.00 H new ATOM 0 HG LEU A 98 58.175 11.044 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 98 59.911 12.537 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 98 59.080 13.314 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 98 60.706 12.626 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 98 60.235 10.062 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 98 61.028 10.150 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 98 59.632 9.073 0.474 1.00 0.00 H new ATOM 164 N ALA A 99 57.547 10.682 4.807 1.00 0.00 N ATOM 165 CA ALA A 99 57.294 9.904 6.053 1.00 0.00 C ATOM 166 C ALA A 99 55.829 9.460 6.110 1.00 0.00 C ATOM 167 O ALA A 99 55.526 8.317 6.389 1.00 0.00 O ATOM 168 CB ALA A 99 57.606 10.870 7.197 1.00 0.00 C ATOM 0 H ALA A 99 58.059 11.555 4.935 1.00 0.00 H new ATOM 0 HA ALA A 99 57.903 9.001 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 99 57.443 10.369 8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 99 58.645 11.191 7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 99 56.952 11.739 7.127 1.00 0.00 H new ATOM 174 N ASN A 100 54.919 10.357 5.847 1.00 0.00 N ATOM 175 CA ASN A 100 53.474 9.989 5.884 1.00 0.00 C ATOM 176 C ASN A 100 53.224 8.737 5.041 1.00 0.00 C ATOM 177 O ASN A 100 52.508 7.840 5.438 1.00 0.00 O ATOM 178 CB ASN A 100 52.745 11.192 5.285 1.00 0.00 C ATOM 179 CG ASN A 100 52.036 11.965 6.398 1.00 0.00 C ATOM 180 OD1 ASN A 100 51.611 11.388 7.379 1.00 0.00 O ATOM 181 ND2 ASN A 100 51.890 13.257 6.285 1.00 0.00 N ATOM 0 H ASN A 100 55.113 11.329 5.608 1.00 0.00 H new ATOM 0 HA ASN A 100 53.131 9.764 6.894 1.00 0.00 H new ATOM 0 HB2 ASN A 100 53.454 11.841 4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 100 52.021 10.859 4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 100 51.419 13.783 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 100 52.247 13.740 5.461 1.00 0.00 H new ATOM 188 N CYS A 101 53.812 8.669 3.877 1.00 0.00 N ATOM 189 CA CYS A 101 53.609 7.477 3.006 1.00 0.00 C ATOM 190 C CYS A 101 53.995 6.197 3.756 1.00 0.00 C ATOM 191 O CYS A 101 53.650 5.104 3.355 1.00 0.00 O ATOM 192 CB CYS A 101 54.541 7.699 1.813 1.00 0.00 C ATOM 193 SG CYS A 101 53.571 8.189 0.366 1.00 0.00 S ATOM 0 H CYS A 101 54.424 9.388 3.492 1.00 0.00 H new ATOM 0 HA CYS A 101 52.569 7.362 2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 101 55.274 8.470 2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 101 55.097 6.786 1.598 1.00 0.00 H new ATOM 0 HG CYS A 101 54.366 8.379 -0.645 1.00 0.00 H new ATOM 199 N PHE A 102 54.716 6.324 4.838 1.00 0.00 N ATOM 200 CA PHE A 102 55.132 5.115 5.607 1.00 0.00 C ATOM 201 C PHE A 102 53.917 4.253 5.970 1.00 0.00 C ATOM 202 O PHE A 102 53.790 3.129 5.527 1.00 0.00 O ATOM 203 CB PHE A 102 55.798 5.662 6.871 1.00 0.00 C ATOM 204 CG PHE A 102 56.357 4.515 7.679 1.00 0.00 C ATOM 205 CD1 PHE A 102 57.197 3.575 7.070 1.00 0.00 C ATOM 206 CD2 PHE A 102 56.037 4.393 9.036 1.00 0.00 C ATOM 207 CE1 PHE A 102 57.716 2.512 7.818 1.00 0.00 C ATOM 208 CE2 PHE A 102 56.557 3.330 9.784 1.00 0.00 C ATOM 209 CZ PHE A 102 57.396 2.389 9.175 1.00 0.00 C ATOM 0 H PHE A 102 55.035 7.213 5.223 1.00 0.00 H new ATOM 0 HA PHE A 102 55.802 4.477 5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.595 6.356 6.604 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.074 6.221 7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 102 57.444 3.670 6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.389 5.118 9.506 1.00 0.00 H new ATOM 0 HE1 PHE A 102 58.363 1.787 7.348 1.00 0.00 H new ATOM 0 HE2 PHE A 102 56.311 3.236 10.831 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.796 1.569 9.752 1.00 0.00 H new ATOM 219 N ARG A 103 53.028 4.762 6.781 1.00 0.00 N ATOM 220 CA ARG A 103 51.832 3.958 7.178 1.00 0.00 C ATOM 221 C ARG A 103 51.056 3.494 5.939 1.00 0.00 C ATOM 222 O ARG A 103 50.443 2.444 5.938 1.00 0.00 O ATOM 223 CB ARG A 103 50.982 4.902 8.040 1.00 0.00 C ATOM 224 CG ARG A 103 50.103 5.788 7.151 1.00 0.00 C ATOM 225 CD ARG A 103 49.604 6.988 7.959 1.00 0.00 C ATOM 226 NE ARG A 103 48.125 6.821 8.025 1.00 0.00 N ATOM 227 CZ ARG A 103 47.545 6.605 9.174 1.00 0.00 C ATOM 228 NH1 ARG A 103 47.526 7.542 10.083 1.00 0.00 N ATOM 229 NH2 ARG A 103 46.980 5.454 9.413 1.00 0.00 N ATOM 0 H ARG A 103 53.077 5.697 7.186 1.00 0.00 H new ATOM 0 HA ARG A 103 52.108 3.055 7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 103 50.357 4.322 8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 103 51.630 5.524 8.657 1.00 0.00 H new ATOM 0 HG2 ARG A 103 50.671 6.130 6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 103 49.257 5.215 6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 103 50.044 7.003 8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 103 49.874 7.928 7.477 1.00 0.00 H new ATOM 0 HE ARG A 103 47.566 6.875 7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 103 47.965 8.444 9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 103 47.072 7.372 10.981 1.00 0.00 H new ATOM 0 HH21 ARG A 103 46.992 4.723 8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 103 46.527 5.285 10.311 1.00 0.00 H new ATOM 243 N ILE A 104 51.071 4.268 4.889 1.00 0.00 N ATOM 244 CA ILE A 104 50.329 3.869 3.659 1.00 0.00 C ATOM 245 C ILE A 104 50.811 2.502 3.164 1.00 0.00 C ATOM 246 O ILE A 104 50.025 1.657 2.782 1.00 0.00 O ATOM 247 CB ILE A 104 50.655 4.954 2.635 1.00 0.00 C ATOM 248 CG1 ILE A 104 50.153 6.307 3.146 1.00 0.00 C ATOM 249 CG2 ILE A 104 49.968 4.626 1.310 1.00 0.00 C ATOM 250 CD1 ILE A 104 48.673 6.198 3.512 1.00 0.00 C ATOM 0 H ILE A 104 51.564 5.159 4.829 1.00 0.00 H new ATOM 0 HA ILE A 104 49.257 3.780 3.835 1.00 0.00 H new ATOM 0 HB ILE A 104 51.734 4.999 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 104 50.732 6.616 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 104 50.294 7.071 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 104 50.200 5.400 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 104 50.324 3.663 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 104 48.889 4.581 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 104 48.316 7.162 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 104 48.101 5.908 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 104 48.545 5.446 4.291 1.00 0.00 H new ATOM 262 N PHE A 105 52.096 2.280 3.162 1.00 0.00 N ATOM 263 CA PHE A 105 52.624 0.969 2.687 1.00 0.00 C ATOM 264 C PHE A 105 52.382 -0.116 3.740 1.00 0.00 C ATOM 265 O PHE A 105 52.183 -1.272 3.421 1.00 0.00 O ATOM 266 CB PHE A 105 54.122 1.197 2.485 1.00 0.00 C ATOM 267 CG PHE A 105 54.389 1.534 1.037 1.00 0.00 C ATOM 268 CD1 PHE A 105 54.357 2.868 0.612 1.00 0.00 C ATOM 269 CD2 PHE A 105 54.668 0.514 0.121 1.00 0.00 C ATOM 270 CE1 PHE A 105 54.604 3.181 -0.729 1.00 0.00 C ATOM 271 CE2 PHE A 105 54.915 0.827 -1.221 1.00 0.00 C ATOM 272 CZ PHE A 105 54.884 2.161 -1.647 1.00 0.00 C ATOM 0 H PHE A 105 52.803 2.948 3.468 1.00 0.00 H new ATOM 0 HA PHE A 105 52.135 0.634 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 105 54.467 2.007 3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 105 54.678 0.304 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 105 54.142 3.655 1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 105 54.693 -0.515 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 105 54.579 4.210 -1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 105 55.130 0.039 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 105 55.076 2.403 -2.682 1.00 0.00 H new ATOM 282 N ASP A 106 52.398 0.244 4.995 1.00 0.00 N ATOM 283 CA ASP A 106 52.171 -0.771 6.063 1.00 0.00 C ATOM 284 C ASP A 106 50.671 -1.019 6.247 1.00 0.00 C ATOM 285 O ASP A 106 49.985 -0.268 6.913 1.00 0.00 O ATOM 286 CB ASP A 106 52.773 -0.158 7.328 1.00 0.00 C ATOM 287 CG ASP A 106 53.029 -1.261 8.357 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.406 -2.305 8.245 1.00 0.00 O ATOM 289 OD2 ASP A 106 53.843 -1.044 9.239 1.00 0.00 O ATOM 0 H ASP A 106 52.558 1.195 5.326 1.00 0.00 H new ATOM 0 HA ASP A 106 52.624 -1.732 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.705 0.354 7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 106 52.095 0.589 7.741 1.00 0.00 H new ATOM 294 N LYS A 107 50.157 -2.068 5.664 1.00 0.00 N ATOM 295 CA LYS A 107 48.703 -2.362 5.810 1.00 0.00 C ATOM 296 C LYS A 107 48.380 -2.712 7.265 1.00 0.00 C ATOM 297 O LYS A 107 47.320 -2.400 7.769 1.00 0.00 O ATOM 298 CB LYS A 107 48.448 -3.563 4.897 1.00 0.00 C ATOM 299 CG LYS A 107 48.775 -3.184 3.451 1.00 0.00 C ATOM 300 CD LYS A 107 47.693 -2.246 2.912 1.00 0.00 C ATOM 301 CE LYS A 107 47.648 -2.340 1.385 1.00 0.00 C ATOM 302 NZ LYS A 107 46.638 -1.326 0.968 1.00 0.00 N ATOM 0 H LYS A 107 50.680 -2.733 5.094 1.00 0.00 H new ATOM 0 HA LYS A 107 48.079 -1.509 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 107 49.061 -4.408 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.407 -3.878 4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 107 49.749 -2.698 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 107 48.835 -4.080 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 107 46.723 -2.513 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 107 47.901 -1.221 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 107 48.624 -2.129 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 107 47.362 -3.340 1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 46.550 -1.330 -0.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 45.718 -1.557 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 46.941 -0.383 1.286 1.00 0.00 H new ATOM 316 N ASN A 108 49.288 -3.357 7.943 1.00 0.00 N ATOM 317 CA ASN A 108 49.036 -3.726 9.366 1.00 0.00 C ATOM 318 C ASN A 108 49.631 -2.669 10.299 1.00 0.00 C ATOM 319 O ASN A 108 49.371 -2.658 11.486 1.00 0.00 O ATOM 320 CB ASN A 108 49.743 -5.068 9.559 1.00 0.00 C ATOM 321 CG ASN A 108 49.186 -6.087 8.564 1.00 0.00 C ATOM 322 OD1 ASN A 108 48.024 -6.437 8.618 1.00 0.00 O ATOM 323 ND2 ASN A 108 49.974 -6.582 7.648 1.00 0.00 N ATOM 0 H ASN A 108 50.194 -3.645 7.574 1.00 0.00 H new ATOM 0 HA ASN A 108 47.972 -3.789 9.594 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.817 -4.950 9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.598 -5.424 10.579 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.614 -7.262 6.979 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.950 -6.289 7.602 1.00 0.00 H new ATOM 330 N ALA A 109 50.431 -1.781 9.773 1.00 0.00 N ATOM 331 CA ALA A 109 51.042 -0.729 10.634 1.00 0.00 C ATOM 332 C ALA A 109 51.766 -1.377 11.817 1.00 0.00 C ATOM 333 O ALA A 109 51.487 -1.086 12.964 1.00 0.00 O ATOM 334 CB ALA A 109 49.866 0.117 11.121 1.00 0.00 C ATOM 0 H ALA A 109 50.687 -1.739 8.787 1.00 0.00 H new ATOM 0 HA ALA A 109 51.778 -0.129 10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 109 50.234 0.917 11.764 1.00 0.00 H new ATOM 0 HB2 ALA A 109 49.349 0.549 10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.174 -0.511 11.683 1.00 0.00 H new ATOM 340 N ASP A 110 52.692 -2.256 11.547 1.00 0.00 N ATOM 341 CA ASP A 110 53.432 -2.927 12.654 1.00 0.00 C ATOM 342 C ASP A 110 54.718 -2.162 12.979 1.00 0.00 C ATOM 343 O ASP A 110 55.347 -2.391 13.993 1.00 0.00 O ATOM 344 CB ASP A 110 53.754 -4.325 12.123 1.00 0.00 C ATOM 345 CG ASP A 110 54.875 -4.234 11.087 1.00 0.00 C ATOM 346 OD1 ASP A 110 54.698 -3.522 10.113 1.00 0.00 O ATOM 347 OD2 ASP A 110 55.892 -4.880 11.285 1.00 0.00 O ATOM 0 H ASP A 110 52.969 -2.539 10.607 1.00 0.00 H new ATOM 0 HA ASP A 110 52.850 -2.965 13.575 1.00 0.00 H new ATOM 0 HB2 ASP A 110 54.055 -4.976 12.943 1.00 0.00 H new ATOM 0 HB3 ASP A 110 52.865 -4.768 11.674 1.00 0.00 H new ATOM 352 N GLY A 111 55.113 -1.250 12.132 1.00 0.00 N ATOM 353 CA GLY A 111 56.354 -0.472 12.403 1.00 0.00 C ATOM 354 C GLY A 111 57.395 -0.746 11.315 1.00 0.00 C ATOM 355 O GLY A 111 58.312 0.026 11.116 1.00 0.00 O ATOM 0 H GLY A 111 54.630 -1.011 11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.124 0.593 12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.757 -0.743 13.379 1.00 0.00 H new ATOM 359 N PHE A 112 57.267 -1.837 10.610 1.00 0.00 N ATOM 360 CA PHE A 112 58.261 -2.146 9.540 1.00 0.00 C ATOM 361 C PHE A 112 57.621 -3.004 8.445 1.00 0.00 C ATOM 362 O PHE A 112 57.035 -4.035 8.711 1.00 0.00 O ATOM 363 CB PHE A 112 59.376 -2.917 10.248 1.00 0.00 C ATOM 364 CG PHE A 112 59.865 -2.114 11.429 1.00 0.00 C ATOM 365 CD1 PHE A 112 60.745 -1.043 11.230 1.00 0.00 C ATOM 366 CD2 PHE A 112 59.438 -2.438 12.722 1.00 0.00 C ATOM 367 CE1 PHE A 112 61.199 -0.297 12.323 1.00 0.00 C ATOM 368 CE2 PHE A 112 59.892 -1.691 13.816 1.00 0.00 C ATOM 369 CZ PHE A 112 60.772 -0.620 13.616 1.00 0.00 C ATOM 0 H PHE A 112 56.523 -2.524 10.726 1.00 0.00 H new ATOM 0 HA PHE A 112 58.634 -1.245 9.052 1.00 0.00 H new ATOM 0 HB2 PHE A 112 59.008 -3.888 10.581 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.198 -3.107 9.557 1.00 0.00 H new ATOM 0 HD1 PHE A 112 61.073 -0.793 10.232 1.00 0.00 H new ATOM 0 HD2 PHE A 112 58.759 -3.264 12.876 1.00 0.00 H new ATOM 0 HE1 PHE A 112 61.879 0.528 12.169 1.00 0.00 H new ATOM 0 HE2 PHE A 112 59.564 -1.941 14.814 1.00 0.00 H new ATOM 0 HZ PHE A 112 61.121 -0.043 14.460 1.00 0.00 H new ATOM 379 N ILE A 113 57.729 -2.580 7.216 1.00 0.00 N ATOM 380 CA ILE A 113 57.127 -3.361 6.098 1.00 0.00 C ATOM 381 C ILE A 113 58.066 -4.489 5.664 1.00 0.00 C ATOM 382 O ILE A 113 59.171 -4.252 5.215 1.00 0.00 O ATOM 383 CB ILE A 113 56.956 -2.352 4.963 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.062 -1.203 5.434 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.311 -3.041 3.758 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.499 0.095 4.753 1.00 0.00 C ATOM 0 H ILE A 113 58.209 -1.724 6.937 1.00 0.00 H new ATOM 0 HA ILE A 113 56.184 -3.827 6.386 1.00 0.00 H new ATOM 0 HB ILE A 113 57.932 -1.960 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.020 -1.418 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 113 56.127 -1.098 6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.189 -2.321 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 113 56.948 -3.859 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.335 -3.434 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 113 55.862 0.914 5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.535 0.311 5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 113 56.411 -0.014 3.672 1.00 0.00 H new ATOM 398 N ASP A 114 57.632 -5.713 5.783 1.00 0.00 N ATOM 399 CA ASP A 114 58.497 -6.853 5.364 1.00 0.00 C ATOM 400 C ASP A 114 58.250 -7.173 3.887 1.00 0.00 C ATOM 401 O ASP A 114 57.549 -6.458 3.200 1.00 0.00 O ATOM 402 CB ASP A 114 58.076 -8.028 6.251 1.00 0.00 C ATOM 403 CG ASP A 114 56.558 -8.204 6.189 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.952 -7.646 5.288 1.00 0.00 O ATOM 405 OD2 ASP A 114 56.026 -8.893 7.042 1.00 0.00 O ATOM 0 H ASP A 114 56.717 -5.974 6.152 1.00 0.00 H new ATOM 0 HA ASP A 114 59.559 -6.632 5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.571 -8.941 5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.389 -7.850 7.280 1.00 0.00 H new ATOM 410 N ILE A 115 58.820 -8.236 3.390 1.00 0.00 N ATOM 411 CA ILE A 115 58.614 -8.585 1.955 1.00 0.00 C ATOM 412 C ILE A 115 57.137 -8.890 1.684 1.00 0.00 C ATOM 413 O ILE A 115 56.581 -8.471 0.688 1.00 0.00 O ATOM 414 CB ILE A 115 59.468 -9.828 1.717 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.583 -10.079 0.212 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.813 -11.035 2.389 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.707 -9.217 -0.366 1.00 0.00 C ATOM 0 H ILE A 115 59.418 -8.876 3.913 1.00 0.00 H new ATOM 0 HA ILE A 115 58.894 -7.766 1.293 1.00 0.00 H new ATOM 0 HB ILE A 115 60.461 -9.676 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.785 -11.133 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.640 -9.842 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.423 -11.922 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 115 58.728 -10.853 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 115 57.820 -11.192 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.788 -9.396 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 115 60.486 -8.164 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.649 -9.475 0.118 1.00 0.00 H new ATOM 429 N GLU A 116 56.500 -9.615 2.562 1.00 0.00 N ATOM 430 CA GLU A 116 55.062 -9.946 2.351 1.00 0.00 C ATOM 431 C GLU A 116 54.256 -8.670 2.103 1.00 0.00 C ATOM 432 O GLU A 116 53.571 -8.538 1.108 1.00 0.00 O ATOM 433 CB GLU A 116 54.614 -10.617 3.652 1.00 0.00 C ATOM 434 CG GLU A 116 55.561 -11.772 3.983 1.00 0.00 C ATOM 435 CD GLU A 116 54.745 -13.032 4.274 1.00 0.00 C ATOM 436 OE1 GLU A 116 54.390 -13.233 5.423 1.00 0.00 O ATOM 437 OE2 GLU A 116 54.488 -13.776 3.341 1.00 0.00 O ATOM 0 H GLU A 116 56.912 -9.992 3.415 1.00 0.00 H new ATOM 0 HA GLU A 116 54.911 -10.591 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.610 -9.891 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.594 -10.987 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 116 56.240 -11.950 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 116 56.176 -11.516 4.846 1.00 0.00 H new ATOM 444 N GLU A 117 54.334 -7.728 3.001 1.00 0.00 N ATOM 445 CA GLU A 117 53.575 -6.457 2.820 1.00 0.00 C ATOM 446 C GLU A 117 53.839 -5.876 1.428 1.00 0.00 C ATOM 447 O GLU A 117 52.938 -5.429 0.749 1.00 0.00 O ATOM 448 CB GLU A 117 54.113 -5.520 3.901 1.00 0.00 C ATOM 449 CG GLU A 117 53.351 -5.749 5.207 1.00 0.00 C ATOM 450 CD GLU A 117 53.896 -4.812 6.285 1.00 0.00 C ATOM 451 OE1 GLU A 117 53.457 -3.675 6.331 1.00 0.00 O ATOM 452 OE2 GLU A 117 54.745 -5.246 7.046 1.00 0.00 O ATOM 0 H GLU A 117 54.891 -7.783 3.854 1.00 0.00 H new ATOM 0 HA GLU A 117 52.498 -6.603 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 117 55.177 -5.698 4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 117 54.006 -4.483 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.287 -5.568 5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.456 -6.786 5.525 1.00 0.00 H new ATOM 459 N LEU A 118 55.072 -5.878 1.003 1.00 0.00 N ATOM 460 CA LEU A 118 55.404 -5.324 -0.341 1.00 0.00 C ATOM 461 C LEU A 118 54.643 -6.076 -1.436 1.00 0.00 C ATOM 462 O LEU A 118 54.335 -5.531 -2.477 1.00 0.00 O ATOM 463 CB LEU A 118 56.910 -5.535 -0.491 1.00 0.00 C ATOM 464 CG LEU A 118 57.595 -4.181 -0.690 1.00 0.00 C ATOM 465 CD1 LEU A 118 56.920 -3.432 -1.841 1.00 0.00 C ATOM 466 CD2 LEU A 118 57.474 -3.358 0.595 1.00 0.00 C ATOM 0 H LEU A 118 55.867 -6.240 1.530 1.00 0.00 H new ATOM 0 HA LEU A 118 55.125 -4.274 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 118 57.309 -6.030 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 118 57.114 -6.187 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 118 58.648 -4.336 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.408 -2.468 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 118 57.003 -4.019 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 118 55.867 -3.275 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 118 57.961 -2.393 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 118 56.421 -3.203 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 118 57.954 -3.892 1.415 1.00 0.00 H new ATOM 478 N GLY A 119 54.341 -7.326 -1.216 1.00 0.00 N ATOM 479 CA GLY A 119 53.607 -8.107 -2.252 1.00 0.00 C ATOM 480 C GLY A 119 52.120 -7.744 -2.223 1.00 0.00 C ATOM 481 O GLY A 119 51.567 -7.274 -3.197 1.00 0.00 O ATOM 0 H GLY A 119 54.570 -7.840 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 119 54.022 -7.899 -3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.733 -9.175 -2.072 1.00 0.00 H new ATOM 485 N GLU A 120 51.468 -7.963 -1.114 1.00 0.00 N ATOM 486 CA GLU A 120 50.016 -7.637 -1.025 1.00 0.00 C ATOM 487 C GLU A 120 49.762 -6.191 -1.464 1.00 0.00 C ATOM 488 O GLU A 120 48.842 -5.912 -2.206 1.00 0.00 O ATOM 489 CB GLU A 120 49.658 -7.824 0.450 1.00 0.00 C ATOM 490 CG GLU A 120 50.454 -6.834 1.303 1.00 0.00 C ATOM 491 CD GLU A 120 50.180 -7.102 2.784 1.00 0.00 C ATOM 492 OE1 GLU A 120 50.875 -7.926 3.355 1.00 0.00 O ATOM 493 OE2 GLU A 120 49.279 -6.479 3.322 1.00 0.00 O ATOM 0 H GLU A 120 51.878 -8.354 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 120 49.412 -8.271 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.589 -7.669 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.878 -8.845 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 120 51.519 -6.933 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 120 50.174 -5.812 1.049 1.00 0.00 H new ATOM 500 N ILE A 121 50.569 -5.269 -1.013 1.00 0.00 N ATOM 501 CA ILE A 121 50.364 -3.846 -1.412 1.00 0.00 C ATOM 502 C ILE A 121 50.304 -3.733 -2.937 1.00 0.00 C ATOM 503 O ILE A 121 49.418 -3.111 -3.489 1.00 0.00 O ATOM 504 CB ILE A 121 51.576 -3.097 -0.864 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.514 -3.090 0.664 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.559 -1.656 -1.379 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.838 -2.574 1.222 1.00 0.00 C ATOM 0 H ILE A 121 51.358 -5.438 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 121 49.430 -3.439 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 121 52.491 -3.590 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.693 -2.458 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 121 51.317 -4.096 1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.424 -1.120 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.595 -1.659 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.646 -1.162 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.796 -2.568 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.649 -3.224 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 121 53.015 -1.561 0.860 1.00 0.00 H new ATOM 519 N LEU A 122 51.239 -4.336 -3.620 1.00 0.00 N ATOM 520 CA LEU A 122 51.238 -4.270 -5.109 1.00 0.00 C ATOM 521 C LEU A 122 50.188 -5.229 -5.678 1.00 0.00 C ATOM 522 O LEU A 122 49.392 -4.865 -6.522 1.00 0.00 O ATOM 523 CB LEU A 122 52.643 -4.711 -5.524 1.00 0.00 C ATOM 524 CG LEU A 122 53.655 -3.629 -5.145 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.069 -4.211 -5.203 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.544 -2.462 -6.128 1.00 0.00 C ATOM 0 H LEU A 122 52.004 -4.872 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 122 50.995 -3.274 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 122 52.900 -5.650 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.675 -4.893 -6.598 1.00 0.00 H new ATOM 0 HG LEU A 122 53.449 -3.275 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.791 -3.440 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.149 -5.044 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.276 -4.564 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 122 54.265 -1.690 -5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 122 53.751 -2.816 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.537 -2.048 -6.088 1.00 0.00 H new ATOM 538 N ARG A 123 50.182 -6.452 -5.222 1.00 0.00 N ATOM 539 CA ARG A 123 49.186 -7.437 -5.735 1.00 0.00 C ATOM 540 C ARG A 123 47.779 -6.833 -5.711 1.00 0.00 C ATOM 541 O ARG A 123 46.950 -7.134 -6.545 1.00 0.00 O ATOM 542 CB ARG A 123 49.277 -8.624 -4.775 1.00 0.00 C ATOM 543 CG ARG A 123 50.434 -9.533 -5.195 1.00 0.00 C ATOM 544 CD ARG A 123 49.895 -10.686 -6.043 1.00 0.00 C ATOM 545 NE ARG A 123 50.493 -11.914 -5.447 1.00 0.00 N ATOM 546 CZ ARG A 123 50.243 -13.081 -5.973 1.00 0.00 C ATOM 547 NH1 ARG A 123 50.579 -13.326 -7.211 1.00 0.00 N ATOM 548 NH2 ARG A 123 49.658 -14.006 -5.261 1.00 0.00 N ATOM 0 H ARG A 123 50.824 -6.812 -4.516 1.00 0.00 H new ATOM 0 HA ARG A 123 49.386 -7.728 -6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.430 -8.270 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.341 -9.183 -4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 123 51.170 -8.964 -5.762 1.00 0.00 H new ATOM 0 HG3 ARG A 123 50.943 -9.923 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 123 48.806 -10.723 -6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 123 50.182 -10.575 -7.089 1.00 0.00 H new ATOM 0 HE ARG A 123 51.097 -11.842 -4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 123 51.037 -12.604 -7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 123 50.383 -14.239 -7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 123 49.397 -13.816 -4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 123 49.462 -14.919 -5.672 1.00 0.00 H new ATOM 562 N ALA A 124 47.504 -5.985 -4.758 1.00 0.00 N ATOM 563 CA ALA A 124 46.150 -5.365 -4.680 1.00 0.00 C ATOM 564 C ALA A 124 45.804 -4.676 -6.003 1.00 0.00 C ATOM 565 O ALA A 124 44.651 -4.554 -6.368 1.00 0.00 O ATOM 566 CB ALA A 124 46.247 -4.339 -3.551 1.00 0.00 C ATOM 0 H ALA A 124 48.157 -5.695 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 124 45.370 -6.103 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.286 -3.838 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.511 -4.844 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.013 -3.602 -3.794 1.00 0.00 H new ATOM 572 N THR A 125 46.792 -4.223 -6.725 1.00 0.00 N ATOM 573 CA THR A 125 46.516 -3.541 -8.022 1.00 0.00 C ATOM 574 C THR A 125 46.418 -4.568 -9.155 1.00 0.00 C ATOM 575 O THR A 125 46.584 -4.244 -10.314 1.00 0.00 O ATOM 576 CB THR A 125 47.712 -2.613 -8.244 1.00 0.00 C ATOM 577 OG1 THR A 125 48.861 -3.389 -8.554 1.00 0.00 O ATOM 578 CG2 THR A 125 47.969 -1.801 -6.975 1.00 0.00 C ATOM 0 H THR A 125 47.778 -4.295 -6.474 1.00 0.00 H new ATOM 0 HA THR A 125 45.572 -2.996 -8.007 1.00 0.00 H new ATOM 0 HB THR A 125 47.499 -1.935 -9.070 1.00 0.00 H new ATOM 0 HG1 THR A 125 49.217 -3.789 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 125 48.821 -1.140 -7.133 1.00 0.00 H new ATOM 0 HG22 THR A 125 47.087 -1.206 -6.739 1.00 0.00 H new ATOM 0 HG23 THR A 125 48.183 -2.477 -6.147 1.00 0.00 H new ATOM 586 N GLY A 126 46.150 -5.803 -8.830 1.00 0.00 N ATOM 587 CA GLY A 126 46.043 -6.846 -9.888 1.00 0.00 C ATOM 588 C GLY A 126 47.390 -6.992 -10.596 1.00 0.00 C ATOM 589 O GLY A 126 47.470 -7.478 -11.707 1.00 0.00 O ATOM 0 H GLY A 126 46.001 -6.135 -7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 126 45.747 -7.798 -9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 126 45.270 -6.573 -10.606 1.00 0.00 H new ATOM 593 N GLU A 127 48.451 -6.575 -9.961 1.00 0.00 N ATOM 594 CA GLU A 127 49.795 -6.687 -10.596 1.00 0.00 C ATOM 595 C GLU A 127 50.506 -7.954 -10.109 1.00 0.00 C ATOM 596 O GLU A 127 50.869 -8.068 -8.955 1.00 0.00 O ATOM 597 CB GLU A 127 50.550 -5.438 -10.140 1.00 0.00 C ATOM 598 CG GLU A 127 50.658 -4.453 -11.305 1.00 0.00 C ATOM 599 CD GLU A 127 51.759 -3.434 -11.011 1.00 0.00 C ATOM 600 OE1 GLU A 127 52.799 -3.839 -10.520 1.00 0.00 O ATOM 601 OE2 GLU A 127 51.544 -2.263 -11.281 1.00 0.00 O ATOM 0 H GLU A 127 48.445 -6.161 -9.029 1.00 0.00 H new ATOM 0 HA GLU A 127 49.736 -6.755 -11.682 1.00 0.00 H new ATOM 0 HB2 GLU A 127 50.031 -4.972 -9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 127 51.545 -5.710 -9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 127 50.880 -4.988 -12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 127 49.706 -3.943 -11.453 1.00 0.00 H new ATOM 608 N HIS A 128 50.710 -8.904 -10.980 1.00 0.00 N ATOM 609 CA HIS A 128 51.398 -10.160 -10.568 1.00 0.00 C ATOM 610 C HIS A 128 52.897 -9.904 -10.383 1.00 0.00 C ATOM 611 O HIS A 128 53.694 -10.174 -11.259 1.00 0.00 O ATOM 612 CB HIS A 128 51.161 -11.140 -11.716 1.00 0.00 C ATOM 613 CG HIS A 128 49.771 -11.706 -11.615 1.00 0.00 C ATOM 614 ND1 HIS A 128 49.316 -12.701 -12.464 1.00 0.00 N ATOM 615 CD2 HIS A 128 48.728 -11.430 -10.766 1.00 0.00 C ATOM 616 CE1 HIS A 128 48.049 -12.985 -12.113 1.00 0.00 C ATOM 617 NE2 HIS A 128 47.641 -12.239 -11.082 1.00 0.00 N ATOM 0 H HIS A 128 50.430 -8.865 -11.960 1.00 0.00 H new ATOM 0 HA HIS A 128 51.020 -10.545 -9.621 1.00 0.00 H new ATOM 0 HB2 HIS A 128 51.290 -10.634 -12.673 1.00 0.00 H new ATOM 0 HB3 HIS A 128 51.896 -11.944 -11.679 1.00 0.00 H new ATOM 0 HD2 HIS A 128 48.748 -10.697 -9.973 1.00 0.00 H new ATOM 0 HE1 HIS A 128 47.436 -13.726 -12.605 1.00 0.00 H new ATOM 0 HE2 HIS A 128 46.729 -12.258 -10.625 1.00 0.00 H new ATOM 625 N VAL A 129 53.284 -9.386 -9.251 1.00 0.00 N ATOM 626 CA VAL A 129 54.730 -9.111 -9.011 1.00 0.00 C ATOM 627 C VAL A 129 55.402 -10.327 -8.371 1.00 0.00 C ATOM 628 O VAL A 129 54.856 -10.957 -7.487 1.00 0.00 O ATOM 629 CB VAL A 129 54.749 -7.922 -8.051 1.00 0.00 C ATOM 630 CG1 VAL A 129 56.190 -7.452 -7.848 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.919 -6.779 -8.641 1.00 0.00 C ATOM 0 H VAL A 129 52.662 -9.141 -8.481 1.00 0.00 H new ATOM 0 HA VAL A 129 55.270 -8.901 -9.934 1.00 0.00 H new ATOM 0 HB VAL A 129 54.327 -8.222 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 129 56.203 -6.604 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.783 -8.266 -7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.613 -7.151 -8.806 1.00 0.00 H new ATOM 0 HG21 VAL A 129 53.931 -5.930 -7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 129 54.342 -6.479 -9.600 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.892 -7.113 -8.786 1.00 0.00 H new ATOM 641 N ILE A 130 56.585 -10.661 -8.809 1.00 0.00 N ATOM 642 CA ILE A 130 57.291 -11.835 -8.222 1.00 0.00 C ATOM 643 C ILE A 130 58.412 -11.364 -7.292 1.00 0.00 C ATOM 644 O ILE A 130 58.924 -10.271 -7.427 1.00 0.00 O ATOM 645 CB ILE A 130 57.869 -12.591 -9.419 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.742 -11.644 -10.246 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.728 -13.122 -10.288 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.603 -12.457 -11.214 1.00 0.00 C ATOM 0 H ILE A 130 57.093 -10.173 -9.547 1.00 0.00 H new ATOM 0 HA ILE A 130 56.626 -12.462 -7.628 1.00 0.00 H new ATOM 0 HB ILE A 130 58.473 -13.426 -9.064 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.115 -10.945 -10.800 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.377 -11.051 -9.588 1.00 0.00 H new ATOM 0 HG21 ILE A 130 57.141 -13.661 -11.141 1.00 0.00 H new ATOM 0 HG22 ILE A 130 56.106 -13.796 -9.699 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.123 -12.288 -10.644 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.225 -11.782 -11.803 1.00 0.00 H new ATOM 0 HD12 ILE A 130 60.240 -13.138 -10.650 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.959 -13.031 -11.880 1.00 0.00 H new ATOM 660 N GLU A 131 58.793 -12.180 -6.347 1.00 0.00 N ATOM 661 CA GLU A 131 59.879 -11.778 -5.406 1.00 0.00 C ATOM 662 C GLU A 131 61.008 -11.078 -6.166 1.00 0.00 C ATOM 663 O GLU A 131 61.489 -10.039 -5.758 1.00 0.00 O ATOM 664 CB GLU A 131 60.375 -13.086 -4.792 1.00 0.00 C ATOM 665 CG GLU A 131 59.287 -13.668 -3.887 1.00 0.00 C ATOM 666 CD GLU A 131 59.935 -14.423 -2.727 1.00 0.00 C ATOM 667 OE1 GLU A 131 60.632 -13.791 -1.950 1.00 0.00 O ATOM 668 OE2 GLU A 131 59.727 -15.622 -2.634 1.00 0.00 O ATOM 0 H GLU A 131 58.400 -13.107 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 131 59.529 -11.079 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 131 60.628 -13.797 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 131 61.285 -12.909 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 131 58.652 -12.869 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 131 58.645 -14.339 -4.458 1.00 0.00 H new ATOM 675 N GLU A 132 61.434 -11.638 -7.268 1.00 0.00 N ATOM 676 CA GLU A 132 62.532 -11.002 -8.054 1.00 0.00 C ATOM 677 C GLU A 132 62.331 -9.485 -8.097 1.00 0.00 C ATOM 678 O GLU A 132 63.273 -8.721 -8.018 1.00 0.00 O ATOM 679 CB GLU A 132 62.414 -11.602 -9.456 1.00 0.00 C ATOM 680 CG GLU A 132 62.876 -13.060 -9.425 1.00 0.00 C ATOM 681 CD GLU A 132 64.348 -13.140 -9.833 1.00 0.00 C ATOM 682 OE1 GLU A 132 64.621 -13.038 -11.017 1.00 0.00 O ATOM 683 OE2 GLU A 132 65.177 -13.302 -8.952 1.00 0.00 O ATOM 0 H GLU A 132 61.069 -12.507 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 132 63.515 -11.182 -7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.382 -11.543 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 132 63.020 -11.032 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 132 62.742 -13.473 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 132 62.267 -13.659 -10.102 1.00 0.00 H new ATOM 690 N ASP A 133 61.108 -9.047 -8.206 1.00 0.00 N ATOM 691 CA ASP A 133 60.838 -7.581 -8.235 1.00 0.00 C ATOM 692 C ASP A 133 60.623 -7.075 -6.808 1.00 0.00 C ATOM 693 O ASP A 133 61.190 -6.082 -6.395 1.00 0.00 O ATOM 694 CB ASP A 133 59.560 -7.426 -9.061 1.00 0.00 C ATOM 695 CG ASP A 133 59.846 -6.559 -10.288 1.00 0.00 C ATOM 696 OD1 ASP A 133 60.386 -5.480 -10.114 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.521 -6.991 -11.382 1.00 0.00 O ATOM 0 H ASP A 133 60.282 -9.641 -8.276 1.00 0.00 H new ATOM 0 HA ASP A 133 61.662 -7.010 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.194 -8.405 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 133 58.776 -6.970 -8.456 1.00 0.00 H new ATOM 702 N ILE A 134 59.815 -7.762 -6.048 1.00 0.00 N ATOM 703 CA ILE A 134 59.569 -7.337 -4.642 1.00 0.00 C ATOM 704 C ILE A 134 60.890 -7.311 -3.872 1.00 0.00 C ATOM 705 O ILE A 134 61.150 -6.420 -3.087 1.00 0.00 O ATOM 706 CB ILE A 134 58.638 -8.402 -4.071 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.386 -8.500 -4.944 1.00 0.00 C ATOM 708 CG2 ILE A 134 58.239 -8.022 -2.644 1.00 0.00 C ATOM 709 CD1 ILE A 134 56.331 -9.337 -4.226 1.00 0.00 C ATOM 0 H ILE A 134 59.314 -8.601 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 134 59.137 -6.339 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 134 59.150 -9.364 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.996 -7.504 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.633 -8.953 -5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.574 -8.784 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 134 59.132 -7.951 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.726 -7.060 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.438 -9.408 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.724 -10.337 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 134 56.076 -8.865 -3.277 1.00 0.00 H new ATOM 721 N GLU A 135 61.728 -8.285 -4.096 1.00 0.00 N ATOM 722 CA GLU A 135 63.038 -8.327 -3.386 1.00 0.00 C ATOM 723 C GLU A 135 63.847 -7.063 -3.694 1.00 0.00 C ATOM 724 O GLU A 135 64.314 -6.380 -2.804 1.00 0.00 O ATOM 725 CB GLU A 135 63.745 -9.564 -3.941 1.00 0.00 C ATOM 726 CG GLU A 135 63.415 -10.777 -3.071 1.00 0.00 C ATOM 727 CD GLU A 135 64.705 -11.349 -2.480 1.00 0.00 C ATOM 728 OE1 GLU A 135 65.384 -12.077 -3.184 1.00 0.00 O ATOM 729 OE2 GLU A 135 64.993 -11.048 -1.333 1.00 0.00 O ATOM 0 H GLU A 135 61.562 -9.056 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 135 62.922 -8.373 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 135 63.430 -9.745 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.823 -9.401 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 135 62.733 -10.489 -2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 135 62.907 -11.536 -3.665 1.00 0.00 H new ATOM 736 N ASP A 136 64.018 -6.749 -4.950 1.00 0.00 N ATOM 737 CA ASP A 136 64.797 -5.532 -5.316 1.00 0.00 C ATOM 738 C ASP A 136 64.352 -4.342 -4.462 1.00 0.00 C ATOM 739 O ASP A 136 65.163 -3.605 -3.936 1.00 0.00 O ATOM 740 CB ASP A 136 64.476 -5.286 -6.791 1.00 0.00 C ATOM 741 CG ASP A 136 65.247 -4.059 -7.282 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.016 -3.518 -6.506 1.00 0.00 O ATOM 743 OD2 ASP A 136 65.055 -3.684 -8.427 1.00 0.00 O ATOM 0 H ASP A 136 63.652 -7.283 -5.738 1.00 0.00 H new ATOM 0 HA ASP A 136 65.866 -5.659 -5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.746 -6.160 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.405 -5.132 -6.920 1.00 0.00 H new ATOM 748 N LEU A 137 63.070 -4.148 -4.319 1.00 0.00 N ATOM 749 CA LEU A 137 62.576 -3.007 -3.497 1.00 0.00 C ATOM 750 C LEU A 137 63.066 -3.150 -2.052 1.00 0.00 C ATOM 751 O LEU A 137 63.683 -2.260 -1.503 1.00 0.00 O ATOM 752 CB LEU A 137 61.050 -3.107 -3.555 1.00 0.00 C ATOM 753 CG LEU A 137 60.506 -2.098 -4.568 1.00 0.00 C ATOM 754 CD1 LEU A 137 61.246 -2.255 -5.896 1.00 0.00 C ATOM 755 CD2 LEU A 137 59.013 -2.354 -4.785 1.00 0.00 C ATOM 0 H LEU A 137 62.343 -4.730 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 137 62.936 -2.046 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.752 -4.117 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.625 -2.913 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 137 60.654 -1.087 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 137 60.857 -1.535 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 137 62.310 -2.076 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 137 61.099 -3.266 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 137 58.622 -1.637 -5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 137 58.869 -3.366 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 137 58.483 -2.242 -3.839 1.00 0.00 H new ATOM 767 N MET A 138 62.791 -4.268 -1.436 1.00 0.00 N ATOM 768 CA MET A 138 63.235 -4.477 -0.030 1.00 0.00 C ATOM 769 C MET A 138 64.761 -4.561 0.041 1.00 0.00 C ATOM 770 O MET A 138 65.384 -3.981 0.909 1.00 0.00 O ATOM 771 CB MET A 138 62.604 -5.807 0.384 1.00 0.00 C ATOM 772 CG MET A 138 62.948 -6.107 1.843 1.00 0.00 C ATOM 773 SD MET A 138 61.448 -6.601 2.726 1.00 0.00 S ATOM 774 CE MET A 138 60.655 -4.975 2.755 1.00 0.00 C ATOM 0 H MET A 138 62.277 -5.047 -1.848 1.00 0.00 H new ATOM 0 HA MET A 138 62.936 -3.658 0.624 1.00 0.00 H new ATOM 0 HB2 MET A 138 61.522 -5.763 0.257 1.00 0.00 H new ATOM 0 HB3 MET A 138 62.968 -6.609 -0.258 1.00 0.00 H new ATOM 0 HG2 MET A 138 63.693 -6.901 1.896 1.00 0.00 H new ATOM 0 HG3 MET A 138 63.386 -5.227 2.313 1.00 0.00 H new ATOM 0 HE1 MET A 138 59.638 -5.073 3.135 1.00 0.00 H new ATOM 0 HE2 MET A 138 61.221 -4.306 3.403 1.00 0.00 H new ATOM 0 HE3 MET A 138 60.627 -4.566 1.745 1.00 0.00 H new ATOM 784 N LYS A 139 65.368 -5.278 -0.861 1.00 0.00 N ATOM 785 CA LYS A 139 66.853 -5.396 -0.839 1.00 0.00 C ATOM 786 C LYS A 139 67.498 -4.016 -0.989 1.00 0.00 C ATOM 787 O LYS A 139 68.445 -3.686 -0.304 1.00 0.00 O ATOM 788 CB LYS A 139 67.199 -6.282 -2.034 1.00 0.00 C ATOM 789 CG LYS A 139 68.709 -6.516 -2.071 1.00 0.00 C ATOM 790 CD LYS A 139 69.132 -6.909 -3.488 1.00 0.00 C ATOM 791 CE LYS A 139 70.188 -5.926 -3.996 1.00 0.00 C ATOM 792 NZ LYS A 139 71.226 -5.890 -2.929 1.00 0.00 N ATOM 0 H LYS A 139 64.902 -5.787 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 139 67.218 -5.816 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 139 66.674 -7.234 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 139 66.870 -5.809 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 139 69.235 -5.613 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 139 68.983 -7.302 -1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 139 69.532 -7.923 -3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 139 68.267 -6.905 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 139 70.609 -6.255 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 139 69.759 -4.938 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 72.163 -5.758 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 71.030 -5.101 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 71.211 -6.785 -2.400 1.00 0.00 H new ATOM 806 N ASP A 140 66.995 -3.209 -1.882 1.00 0.00 N ATOM 807 CA ASP A 140 67.582 -1.852 -2.078 1.00 0.00 C ATOM 808 C ASP A 140 67.310 -0.974 -0.853 1.00 0.00 C ATOM 809 O ASP A 140 68.114 -0.139 -0.487 1.00 0.00 O ATOM 810 CB ASP A 140 66.870 -1.290 -3.310 1.00 0.00 C ATOM 811 CG ASP A 140 67.406 0.108 -3.617 1.00 0.00 C ATOM 812 OD1 ASP A 140 68.005 0.700 -2.733 1.00 0.00 O ATOM 813 OD2 ASP A 140 67.209 0.567 -4.731 1.00 0.00 O ATOM 0 H ASP A 140 66.203 -3.430 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 140 68.664 -1.884 -2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 140 67.028 -1.947 -4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 140 65.795 -1.248 -3.134 1.00 0.00 H new ATOM 818 N SER A 141 66.183 -1.151 -0.219 1.00 0.00 N ATOM 819 CA SER A 141 65.861 -0.321 0.979 1.00 0.00 C ATOM 820 C SER A 141 66.434 -0.962 2.246 1.00 0.00 C ATOM 821 O SER A 141 67.269 -0.393 2.919 1.00 0.00 O ATOM 822 CB SER A 141 64.336 -0.303 1.050 1.00 0.00 C ATOM 823 OG SER A 141 63.901 0.962 1.533 1.00 0.00 O ATOM 0 H SER A 141 65.471 -1.834 -0.478 1.00 0.00 H new ATOM 0 HA SER A 141 66.286 0.680 0.905 1.00 0.00 H new ATOM 0 HB2 SER A 141 63.913 -0.493 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 141 63.982 -1.097 1.707 1.00 0.00 H new ATOM 0 HG SER A 141 64.677 1.487 1.821 1.00 0.00 H new ATOM 829 N ASP A 142 65.977 -2.137 2.579 1.00 0.00 N ATOM 830 CA ASP A 142 66.478 -2.817 3.808 1.00 0.00 C ATOM 831 C ASP A 142 68.007 -2.845 3.826 1.00 0.00 C ATOM 832 O ASP A 142 68.627 -3.722 3.257 1.00 0.00 O ATOM 833 CB ASP A 142 65.921 -4.239 3.730 1.00 0.00 C ATOM 834 CG ASP A 142 66.573 -5.101 4.811 1.00 0.00 C ATOM 835 OD1 ASP A 142 67.188 -4.536 5.701 1.00 0.00 O ATOM 836 OD2 ASP A 142 66.446 -6.312 4.732 1.00 0.00 O ATOM 0 H ASP A 142 65.276 -2.658 2.052 1.00 0.00 H new ATOM 0 HA ASP A 142 66.163 -2.300 4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 142 64.839 -4.225 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 142 66.115 -4.664 2.745 1.00 0.00 H new ATOM 841 N LYS A 143 68.623 -1.900 4.482 1.00 0.00 N ATOM 842 CA LYS A 143 70.113 -1.890 4.539 1.00 0.00 C ATOM 843 C LYS A 143 70.603 -2.845 5.632 1.00 0.00 C ATOM 844 O LYS A 143 71.706 -3.351 5.579 1.00 0.00 O ATOM 845 CB LYS A 143 70.499 -0.447 4.869 1.00 0.00 C ATOM 846 CG LYS A 143 71.844 -0.120 4.215 1.00 0.00 C ATOM 847 CD LYS A 143 72.408 1.167 4.817 1.00 0.00 C ATOM 848 CE LYS A 143 73.564 0.829 5.760 1.00 0.00 C ATOM 849 NZ LYS A 143 72.955 -0.006 6.832 1.00 0.00 N ATOM 0 H LYS A 143 68.162 -1.138 4.979 1.00 0.00 H new ATOM 0 HA LYS A 143 70.562 -2.219 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.731 0.238 4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 143 70.565 -0.314 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 143 72.543 -0.942 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 143 71.718 -0.005 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 143 72.754 1.830 4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 143 71.627 1.700 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 143 74.353 0.288 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 143 74.015 1.732 6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 73.622 -0.094 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 72.078 0.443 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 72.739 -0.951 6.455 1.00 0.00 H new ATOM 863 N ASN A 144 69.789 -3.097 6.623 1.00 0.00 N ATOM 864 CA ASN A 144 70.207 -4.022 7.717 1.00 0.00 C ATOM 865 C ASN A 144 69.806 -5.460 7.376 1.00 0.00 C ATOM 866 O ASN A 144 69.775 -6.324 8.229 1.00 0.00 O ATOM 867 CB ASN A 144 69.454 -3.539 8.960 1.00 0.00 C ATOM 868 CG ASN A 144 69.506 -2.011 9.035 1.00 0.00 C ATOM 869 OD1 ASN A 144 70.508 -1.443 9.421 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.459 -1.317 8.681 1.00 0.00 N ATOM 0 H ASN A 144 68.854 -2.703 6.722 1.00 0.00 H new ATOM 0 HA ASN A 144 71.287 -4.018 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 144 68.418 -3.876 8.923 1.00 0.00 H new ATOM 0 HB3 ASN A 144 69.898 -3.972 9.857 1.00 0.00 H new ATOM 0 HD21 ASN A 144 68.482 -0.298 8.729 1.00 0.00 H new ATOM 0 HD22 ASN A 144 67.617 -1.793 8.357 1.00 0.00 H new ATOM 877 N ASN A 145 69.493 -5.722 6.137 1.00 0.00 N ATOM 878 CA ASN A 145 69.090 -7.104 5.746 1.00 0.00 C ATOM 879 C ASN A 145 68.096 -7.670 6.765 1.00 0.00 C ATOM 880 O ASN A 145 68.130 -8.839 7.097 1.00 0.00 O ATOM 881 CB ASN A 145 70.388 -7.913 5.751 1.00 0.00 C ATOM 882 CG ASN A 145 70.819 -8.197 4.311 1.00 0.00 C ATOM 883 OD1 ASN A 145 70.547 -9.257 3.781 1.00 0.00 O ATOM 884 ND2 ASN A 145 71.485 -7.290 3.650 1.00 0.00 N ATOM 0 H ASN A 145 69.499 -5.040 5.378 1.00 0.00 H new ATOM 0 HA ASN A 145 68.599 -7.133 4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.170 -7.362 6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.243 -8.849 6.290 1.00 0.00 H new ATOM 0 HD21 ASN A 145 71.777 -7.471 2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 145 71.714 -6.401 4.094 1.00 0.00 H new ATOM 891 N ASP A 146 67.210 -6.850 7.261 1.00 0.00 N ATOM 892 CA ASP A 146 66.213 -7.340 8.257 1.00 0.00 C ATOM 893 C ASP A 146 64.891 -7.675 7.559 1.00 0.00 C ATOM 894 O ASP A 146 63.870 -7.848 8.193 1.00 0.00 O ATOM 895 CB ASP A 146 66.025 -6.180 9.234 1.00 0.00 C ATOM 896 CG ASP A 146 65.448 -4.974 8.491 1.00 0.00 C ATOM 897 OD1 ASP A 146 65.429 -5.007 7.272 1.00 0.00 O ATOM 898 OD2 ASP A 146 65.033 -4.037 9.153 1.00 0.00 O ATOM 0 H ASP A 146 67.133 -5.862 7.020 1.00 0.00 H new ATOM 0 HA ASP A 146 66.545 -8.247 8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.356 -6.476 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 146 66.979 -5.917 9.690 1.00 0.00 H new ATOM 903 N GLY A 147 64.907 -7.769 6.257 1.00 0.00 N ATOM 904 CA GLY A 147 63.657 -8.095 5.514 1.00 0.00 C ATOM 905 C GLY A 147 62.531 -7.151 5.946 1.00 0.00 C ATOM 906 O GLY A 147 61.391 -7.551 6.065 1.00 0.00 O ATOM 0 H GLY A 147 65.734 -7.634 5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 147 63.827 -8.004 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 147 63.370 -9.129 5.705 1.00 0.00 H new ATOM 910 N ARG A 148 62.838 -5.903 6.183 1.00 0.00 N ATOM 911 CA ARG A 148 61.770 -4.948 6.606 1.00 0.00 C ATOM 912 C ARG A 148 62.186 -3.500 6.327 1.00 0.00 C ATOM 913 O ARG A 148 63.224 -3.046 6.768 1.00 0.00 O ATOM 914 CB ARG A 148 61.615 -5.171 8.110 1.00 0.00 C ATOM 915 CG ARG A 148 60.585 -6.271 8.362 1.00 0.00 C ATOM 916 CD ARG A 148 60.134 -6.221 9.823 1.00 0.00 C ATOM 917 NE ARG A 148 60.149 -7.638 10.279 1.00 0.00 N ATOM 918 CZ ARG A 148 59.541 -7.974 11.384 1.00 0.00 C ATOM 919 NH1 ARG A 148 58.271 -8.273 11.364 1.00 0.00 N ATOM 920 NH2 ARG A 148 60.203 -8.009 12.509 1.00 0.00 N ATOM 0 H ARG A 148 63.774 -5.505 6.103 1.00 0.00 H new ATOM 0 HA ARG A 148 60.841 -5.116 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.574 -5.450 8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.300 -4.247 8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 148 59.728 -6.140 7.701 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.016 -7.246 8.136 1.00 0.00 H new ATOM 0 HD2 ARG A 148 60.805 -5.606 10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 148 59.138 -5.787 9.914 1.00 0.00 H new ATOM 0 HE ARG A 148 60.634 -8.346 9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 148 57.754 -8.244 10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 148 57.795 -8.536 12.227 1.00 0.00 H new ATOM 0 HH21 ARG A 148 61.195 -7.774 12.524 1.00 0.00 H new ATOM 0 HH22 ARG A 148 59.728 -8.272 13.372 1.00 0.00 H new ATOM 934 N ILE A 149 61.372 -2.763 5.616 1.00 0.00 N ATOM 935 CA ILE A 149 61.711 -1.337 5.332 1.00 0.00 C ATOM 936 C ILE A 149 61.196 -0.458 6.478 1.00 0.00 C ATOM 937 O ILE A 149 60.049 -0.545 6.868 1.00 0.00 O ATOM 938 CB ILE A 149 60.983 -0.998 4.026 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.803 -1.491 2.832 1.00 0.00 C ATOM 940 CG2 ILE A 149 60.796 0.518 3.912 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.858 -2.043 1.765 1.00 0.00 C ATOM 0 H ILE A 149 60.489 -3.086 5.221 1.00 0.00 H new ATOM 0 HA ILE A 149 62.785 -1.171 5.243 1.00 0.00 H new ATOM 0 HB ILE A 149 60.009 -1.487 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.396 -0.674 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.502 -2.264 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.278 0.752 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.206 0.876 4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 149 61.771 1.006 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.438 -2.395 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.284 -2.871 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.177 -1.256 1.440 1.00 0.00 H new ATOM 953 N ASP A 150 62.030 0.383 7.022 1.00 0.00 N ATOM 954 CA ASP A 150 61.571 1.255 8.141 1.00 0.00 C ATOM 955 C ASP A 150 61.493 2.717 7.689 1.00 0.00 C ATOM 956 O ASP A 150 61.556 3.021 6.514 1.00 0.00 O ATOM 957 CB ASP A 150 62.621 1.079 9.239 1.00 0.00 C ATOM 958 CG ASP A 150 63.883 1.865 8.879 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.387 1.669 7.785 1.00 0.00 O ATOM 960 OD2 ASP A 150 64.325 2.649 9.702 1.00 0.00 O ATOM 0 H ASP A 150 63.004 0.505 6.743 1.00 0.00 H new ATOM 0 HA ASP A 150 60.573 0.986 8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.225 1.427 10.193 1.00 0.00 H new ATOM 0 HB3 ASP A 150 62.861 0.023 9.359 1.00 0.00 H new ATOM 965 N PHE A 151 61.346 3.619 8.620 1.00 0.00 N ATOM 966 CA PHE A 151 61.252 5.066 8.264 1.00 0.00 C ATOM 967 C PHE A 151 62.432 5.494 7.384 1.00 0.00 C ATOM 968 O PHE A 151 62.253 6.002 6.293 1.00 0.00 O ATOM 969 CB PHE A 151 61.301 5.795 9.608 1.00 0.00 C ATOM 970 CG PHE A 151 60.144 6.759 9.713 1.00 0.00 C ATOM 971 CD1 PHE A 151 60.285 8.074 9.256 1.00 0.00 C ATOM 972 CD2 PHE A 151 58.931 6.339 10.274 1.00 0.00 C ATOM 973 CE1 PHE A 151 59.214 8.970 9.359 1.00 0.00 C ATOM 974 CE2 PHE A 151 57.860 7.235 10.377 1.00 0.00 C ATOM 975 CZ PHE A 151 58.002 8.550 9.919 1.00 0.00 C ATOM 0 H PHE A 151 61.286 3.416 9.618 1.00 0.00 H new ATOM 0 HA PHE A 151 60.348 5.289 7.697 1.00 0.00 H new ATOM 0 HB2 PHE A 151 61.260 5.074 10.424 1.00 0.00 H new ATOM 0 HB3 PHE A 151 62.244 6.333 9.705 1.00 0.00 H new ATOM 0 HD1 PHE A 151 61.220 8.398 8.824 1.00 0.00 H new ATOM 0 HD2 PHE A 151 58.822 5.324 10.627 1.00 0.00 H new ATOM 0 HE1 PHE A 151 59.323 9.985 9.006 1.00 0.00 H new ATOM 0 HE2 PHE A 151 56.925 6.912 10.810 1.00 0.00 H new ATOM 0 HZ PHE A 151 57.176 9.241 9.998 1.00 0.00 H new ATOM 985 N ASP A 152 63.635 5.313 7.856 1.00 0.00 N ATOM 986 CA ASP A 152 64.826 5.729 7.057 1.00 0.00 C ATOM 987 C ASP A 152 64.925 4.935 5.748 1.00 0.00 C ATOM 988 O ASP A 152 64.837 5.490 4.670 1.00 0.00 O ATOM 989 CB ASP A 152 66.026 5.432 7.956 1.00 0.00 C ATOM 990 CG ASP A 152 66.565 6.740 8.541 1.00 0.00 C ATOM 991 OD1 ASP A 152 65.995 7.777 8.246 1.00 0.00 O ATOM 992 OD2 ASP A 152 67.537 6.681 9.275 1.00 0.00 O ATOM 0 H ASP A 152 63.846 4.894 8.762 1.00 0.00 H new ATOM 0 HA ASP A 152 64.771 6.779 6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 152 65.733 4.756 8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 152 66.806 4.929 7.384 1.00 0.00 H new ATOM 997 N GLU A 153 65.123 3.647 5.829 1.00 0.00 N ATOM 998 CA GLU A 153 65.247 2.832 4.582 1.00 0.00 C ATOM 999 C GLU A 153 64.130 3.173 3.590 1.00 0.00 C ATOM 1000 O GLU A 153 64.316 3.101 2.391 1.00 0.00 O ATOM 1001 CB GLU A 153 65.135 1.376 5.039 1.00 0.00 C ATOM 1002 CG GLU A 153 66.319 1.034 5.947 1.00 0.00 C ATOM 1003 CD GLU A 153 66.076 -0.319 6.618 1.00 0.00 C ATOM 1004 OE1 GLU A 153 64.956 -0.555 7.042 1.00 0.00 O ATOM 1005 OE2 GLU A 153 67.014 -1.095 6.697 1.00 0.00 O ATOM 0 H GLU A 153 65.204 3.124 6.701 1.00 0.00 H new ATOM 0 HA GLU A 153 66.187 3.027 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.197 1.222 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.122 0.712 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.240 1.002 5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.446 1.809 6.703 1.00 0.00 H new ATOM 1012 N PHE A 154 62.972 3.539 4.067 1.00 0.00 N ATOM 1013 CA PHE A 154 61.862 3.874 3.127 1.00 0.00 C ATOM 1014 C PHE A 154 62.213 5.116 2.302 1.00 0.00 C ATOM 1015 O PHE A 154 62.253 5.074 1.088 1.00 0.00 O ATOM 1016 CB PHE A 154 60.645 4.149 4.009 1.00 0.00 C ATOM 1017 CG PHE A 154 59.496 4.590 3.134 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.166 3.851 1.992 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.766 5.739 3.459 1.00 0.00 C ATOM 1020 CE1 PHE A 154 58.106 4.260 1.175 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.705 6.149 2.642 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.375 5.409 1.500 1.00 0.00 C ATOM 0 H PHE A 154 62.746 3.621 5.058 1.00 0.00 H new ATOM 0 HA PHE A 154 61.676 3.065 2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.372 3.252 4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 154 60.878 4.921 4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.730 2.965 1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 154 59.021 6.310 4.340 1.00 0.00 H new ATOM 0 HE1 PHE A 154 57.852 3.689 0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 154 57.142 7.036 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.557 5.725 0.870 1.00 0.00 H new ATOM 1032 N LEU A 155 62.463 6.222 2.948 1.00 0.00 N ATOM 1033 CA LEU A 155 62.807 7.462 2.195 1.00 0.00 C ATOM 1034 C LEU A 155 63.866 7.160 1.131 1.00 0.00 C ATOM 1035 O LEU A 155 63.685 7.442 -0.036 1.00 0.00 O ATOM 1036 CB LEU A 155 63.355 8.428 3.246 1.00 0.00 C ATOM 1037 CG LEU A 155 62.192 9.123 3.956 1.00 0.00 C ATOM 1038 CD1 LEU A 155 62.558 9.366 5.421 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.906 10.463 3.275 1.00 0.00 C ATOM 0 H LEU A 155 62.444 6.321 3.963 1.00 0.00 H new ATOM 0 HA LEU A 155 61.946 7.879 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 155 63.966 7.887 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 155 64.001 9.168 2.774 1.00 0.00 H new ATOM 0 HG LEU A 155 61.306 8.490 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 155 61.729 9.861 5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 155 62.762 8.412 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 155 63.445 9.998 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 155 61.077 10.959 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.793 11.094 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.644 10.292 2.231 1.00 0.00 H new ATOM 1051 N LYS A 156 64.970 6.586 1.525 1.00 0.00 N ATOM 1052 CA LYS A 156 66.035 6.265 0.532 1.00 0.00 C ATOM 1053 C LYS A 156 65.470 5.360 -0.564 1.00 0.00 C ATOM 1054 O LYS A 156 65.964 5.327 -1.674 1.00 0.00 O ATOM 1055 CB LYS A 156 67.117 5.534 1.328 1.00 0.00 C ATOM 1056 CG LYS A 156 68.465 6.219 1.098 1.00 0.00 C ATOM 1057 CD LYS A 156 68.562 7.461 1.984 1.00 0.00 C ATOM 1058 CE LYS A 156 69.064 7.061 3.373 1.00 0.00 C ATOM 1059 NZ LYS A 156 67.886 7.228 4.270 1.00 0.00 N ATOM 0 H LYS A 156 65.180 6.326 2.489 1.00 0.00 H new ATOM 0 HA LYS A 156 66.427 7.156 0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 156 66.870 5.540 2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 156 67.169 4.490 1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 156 69.279 5.531 1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 156 68.569 6.498 0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 156 69.240 8.188 1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 156 67.587 7.941 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 156 69.424 6.032 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 156 69.894 7.692 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 67.866 6.454 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 67.956 8.138 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 67.013 7.209 3.704 1.00 0.00 H new ATOM 1073 N MET A 157 64.433 4.627 -0.261 1.00 0.00 N ATOM 1074 CA MET A 157 63.831 3.729 -1.282 1.00 0.00 C ATOM 1075 C MET A 157 63.136 4.575 -2.358 1.00 0.00 C ATOM 1076 O MET A 157 63.171 4.262 -3.530 1.00 0.00 O ATOM 1077 CB MET A 157 62.841 2.859 -0.482 1.00 0.00 C ATOM 1078 CG MET A 157 61.396 3.088 -0.942 1.00 0.00 C ATOM 1079 SD MET A 157 61.147 2.313 -2.559 1.00 0.00 S ATOM 1080 CE MET A 157 60.992 0.607 -1.974 1.00 0.00 C ATOM 0 H MET A 157 63.978 4.613 0.652 1.00 0.00 H new ATOM 0 HA MET A 157 64.555 3.109 -1.811 1.00 0.00 H new ATOM 0 HB2 MET A 157 63.100 1.807 -0.602 1.00 0.00 H new ATOM 0 HB3 MET A 157 62.927 3.090 0.580 1.00 0.00 H new ATOM 0 HG2 MET A 157 60.701 2.668 -0.215 1.00 0.00 H new ATOM 0 HG3 MET A 157 61.187 4.156 -1.003 1.00 0.00 H new ATOM 0 HE1 MET A 157 61.764 -0.008 -2.437 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.110 0.582 -0.891 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.009 0.219 -2.241 1.00 0.00 H new ATOM 1090 N MET A 158 62.506 5.644 -1.957 1.00 0.00 N ATOM 1091 CA MET A 158 61.807 6.517 -2.944 1.00 0.00 C ATOM 1092 C MET A 158 62.624 7.788 -3.204 1.00 0.00 C ATOM 1093 O MET A 158 62.083 8.871 -3.314 1.00 0.00 O ATOM 1094 CB MET A 158 60.470 6.864 -2.287 1.00 0.00 C ATOM 1095 CG MET A 158 59.468 7.286 -3.364 1.00 0.00 C ATOM 1096 SD MET A 158 57.830 7.486 -2.619 1.00 0.00 S ATOM 1097 CE MET A 158 57.179 5.858 -3.064 1.00 0.00 C ATOM 0 H MET A 158 62.444 5.952 -0.987 1.00 0.00 H new ATOM 0 HA MET A 158 61.674 6.025 -3.907 1.00 0.00 H new ATOM 0 HB2 MET A 158 60.089 6.004 -1.737 1.00 0.00 H new ATOM 0 HB3 MET A 158 60.605 7.669 -1.565 1.00 0.00 H new ATOM 0 HG2 MET A 158 59.786 8.221 -3.825 1.00 0.00 H new ATOM 0 HG3 MET A 158 59.431 6.537 -4.155 1.00 0.00 H new ATOM 0 HE1 MET A 158 56.158 5.761 -2.696 1.00 0.00 H new ATOM 0 HE2 MET A 158 57.186 5.748 -4.148 1.00 0.00 H new ATOM 0 HE3 MET A 158 57.801 5.083 -2.617 1.00 0.00 H new