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 Set 1.1: A 141 SER OG : rot -20:sc= -1.36! USER MOD Set 1.2: A 157 MET CE :methyl -150:sc= -0.256 (180deg=-1.36!) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.044) 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 -105:sc= 0.877 USER MOD Single : A 128 HIS : no HE2:sc= -0.861 K(o=-0.86,f=-3.3!) USER MOD Single : A 138 MET CE :methyl 178:sc= -1.9 (180deg=-1.94) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ -119:sc= -0.0708 (180deg=-0.583) USER MOD Single : A 144 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.59) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 MET CE :methyl 146:sc= -0.0859 (180deg=-1.32) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 58.343 15.020 5.880 1.00 0.00 N ATOM 116 CA GLU A 96 56.942 14.890 6.374 1.00 0.00 C ATOM 117 C GLU A 96 56.074 14.203 5.318 1.00 0.00 C ATOM 118 O GLU A 96 55.350 13.269 5.607 1.00 0.00 O ATOM 119 CB GLU A 96 56.469 16.326 6.606 1.00 0.00 C ATOM 120 CG GLU A 96 56.639 16.686 8.084 1.00 0.00 C ATOM 121 CD GLU A 96 55.403 16.237 8.865 1.00 0.00 C ATOM 122 OE1 GLU A 96 55.103 15.055 8.834 1.00 0.00 O ATOM 123 OE2 GLU A 96 54.777 17.083 9.482 1.00 0.00 O ATOM 0 HA GLU A 96 56.876 14.289 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 96 57.042 17.014 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 96 55.424 16.428 6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 96 57.531 16.205 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 96 56.780 17.761 8.193 1.00 0.00 H new ATOM 130 N GLU A 97 56.141 14.655 4.097 1.00 0.00 N ATOM 131 CA GLU A 97 55.320 14.025 3.024 1.00 0.00 C ATOM 132 C GLU A 97 55.574 12.516 2.991 1.00 0.00 C ATOM 133 O GLU A 97 54.663 11.720 3.112 1.00 0.00 O ATOM 134 CB GLU A 97 55.795 14.680 1.727 1.00 0.00 C ATOM 135 CG GLU A 97 55.461 16.172 1.757 1.00 0.00 C ATOM 136 CD GLU A 97 56.718 16.970 2.109 1.00 0.00 C ATOM 137 OE1 GLU A 97 57.580 16.417 2.770 1.00 0.00 O ATOM 138 OE2 GLU A 97 56.796 18.120 1.710 1.00 0.00 O ATOM 0 H GLU A 97 56.728 15.433 3.795 1.00 0.00 H new ATOM 0 HA GLU A 97 54.250 14.165 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 97 56.869 14.539 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 97 55.315 14.206 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 97 55.076 16.489 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.678 16.365 2.490 1.00 0.00 H new ATOM 145 N LEU A 98 56.806 12.115 2.833 1.00 0.00 N ATOM 146 CA LEU A 98 57.115 10.657 2.796 1.00 0.00 C ATOM 147 C LEU A 98 56.514 9.964 4.023 1.00 0.00 C ATOM 148 O LEU A 98 55.722 9.051 3.905 1.00 0.00 O ATOM 149 CB LEU A 98 58.642 10.575 2.826 1.00 0.00 C ATOM 150 CG LEU A 98 59.207 11.095 1.503 1.00 0.00 C ATOM 151 CD1 LEU A 98 60.437 11.962 1.779 1.00 0.00 C ATOM 152 CD2 LEU A 98 59.606 9.911 0.620 1.00 0.00 C ATOM 0 H LEU A 98 57.611 12.733 2.728 1.00 0.00 H new ATOM 0 HA LEU A 98 56.700 10.166 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 98 59.032 11.163 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.958 9.545 2.989 1.00 0.00 H new ATOM 0 HG LEU A 98 58.450 11.691 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 98 60.840 12.333 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 98 60.154 12.805 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 98 61.195 11.367 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 98 60.009 10.280 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 98 60.363 9.316 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 98 58.730 9.292 0.423 1.00 0.00 H new ATOM 164 N ALA A 99 56.881 10.393 5.200 1.00 0.00 N ATOM 165 CA ALA A 99 56.326 9.757 6.430 1.00 0.00 C ATOM 166 C ALA A 99 54.806 9.624 6.312 1.00 0.00 C ATOM 167 O ALA A 99 54.231 8.616 6.671 1.00 0.00 O ATOM 168 CB ALA A 99 56.693 10.707 7.569 1.00 0.00 C ATOM 0 H ALA A 99 57.540 11.155 5.363 1.00 0.00 H new ATOM 0 HA ALA A 99 56.723 8.755 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 99 56.318 10.307 8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 99 57.777 10.808 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 99 56.246 11.684 7.386 1.00 0.00 H new ATOM 174 N ASN A 100 54.153 10.634 5.808 1.00 0.00 N ATOM 175 CA ASN A 100 52.670 10.570 5.662 1.00 0.00 C ATOM 176 C ASN A 100 52.271 9.339 4.845 1.00 0.00 C ATOM 177 O ASN A 100 51.229 8.752 5.056 1.00 0.00 O ATOM 178 CB ASN A 100 52.291 11.852 4.917 1.00 0.00 C ATOM 179 CG ASN A 100 51.531 12.788 5.859 1.00 0.00 C ATOM 180 OD1 ASN A 100 51.980 13.062 6.954 1.00 0.00 O ATOM 181 ND2 ASN A 100 50.392 13.295 5.474 1.00 0.00 N ATOM 0 H ASN A 100 54.582 11.503 5.490 1.00 0.00 H new ATOM 0 HA ASN A 100 52.163 10.491 6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 100 53.188 12.346 4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.674 11.612 4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 100 49.878 13.922 6.093 1.00 0.00 H new ATOM 0 HD22 ASN A 100 50.016 13.064 4.554 1.00 0.00 H new ATOM 188 N CYS A 101 53.091 8.949 3.907 1.00 0.00 N ATOM 189 CA CYS A 101 52.757 7.760 3.071 1.00 0.00 C ATOM 190 C CYS A 101 53.031 6.466 3.842 1.00 0.00 C ATOM 191 O CYS A 101 52.707 5.386 3.394 1.00 0.00 O ATOM 192 CB CYS A 101 53.676 7.865 1.853 1.00 0.00 C ATOM 193 SG CYS A 101 52.683 7.807 0.341 1.00 0.00 S ATOM 0 H CYS A 101 53.977 9.402 3.683 1.00 0.00 H new ATOM 0 HA CYS A 101 51.704 7.738 2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.244 8.794 1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 101 54.399 7.049 1.858 1.00 0.00 H new ATOM 0 HG CYS A 101 53.464 7.898 -0.695 1.00 0.00 H new ATOM 199 N PHE A 102 53.626 6.564 4.999 1.00 0.00 N ATOM 200 CA PHE A 102 53.917 5.333 5.791 1.00 0.00 C ATOM 201 C PHE A 102 52.616 4.600 6.138 1.00 0.00 C ATOM 202 O PHE A 102 52.445 3.437 5.831 1.00 0.00 O ATOM 203 CB PHE A 102 54.605 5.834 7.060 1.00 0.00 C ATOM 204 CG PHE A 102 55.549 4.774 7.577 1.00 0.00 C ATOM 205 CD1 PHE A 102 55.041 3.618 8.180 1.00 0.00 C ATOM 206 CD2 PHE A 102 56.932 4.950 7.452 1.00 0.00 C ATOM 207 CE1 PHE A 102 55.917 2.637 8.660 1.00 0.00 C ATOM 208 CE2 PHE A 102 57.808 3.969 7.932 1.00 0.00 C ATOM 209 CZ PHE A 102 57.301 2.812 8.535 1.00 0.00 C ATOM 0 H PHE A 102 53.923 7.439 5.430 1.00 0.00 H new ATOM 0 HA PHE A 102 54.538 4.627 5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 102 55.153 6.752 6.850 1.00 0.00 H new ATOM 0 HB3 PHE A 102 53.860 6.074 7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 102 53.974 3.483 8.275 1.00 0.00 H new ATOM 0 HD2 PHE A 102 57.323 5.842 6.986 1.00 0.00 H new ATOM 0 HE1 PHE A 102 55.526 1.745 9.127 1.00 0.00 H new ATOM 0 HE2 PHE A 102 58.875 4.105 7.837 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.977 2.055 8.904 1.00 0.00 H new ATOM 219 N ARG A 103 51.701 5.270 6.783 1.00 0.00 N ATOM 220 CA ARG A 103 50.412 4.612 7.156 1.00 0.00 C ATOM 221 C ARG A 103 49.764 3.955 5.932 1.00 0.00 C ATOM 222 O ARG A 103 48.968 3.046 6.056 1.00 0.00 O ATOM 223 CB ARG A 103 49.521 5.736 7.697 1.00 0.00 C ATOM 224 CG ARG A 103 49.683 6.992 6.837 1.00 0.00 C ATOM 225 CD ARG A 103 50.371 8.085 7.657 1.00 0.00 C ATOM 226 NE ARG A 103 49.503 8.269 8.854 1.00 0.00 N ATOM 227 CZ ARG A 103 48.262 8.645 8.710 1.00 0.00 C ATOM 228 NH1 ARG A 103 47.913 9.367 7.680 1.00 0.00 N ATOM 229 NH2 ARG A 103 47.368 8.300 9.597 1.00 0.00 N ATOM 0 H ARG A 103 51.788 6.245 7.069 1.00 0.00 H new ATOM 0 HA ARG A 103 50.562 3.823 7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 103 48.479 5.417 7.697 1.00 0.00 H new ATOM 0 HB3 ARG A 103 49.787 5.956 8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 103 50.272 6.764 5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 103 48.708 7.339 6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 103 51.380 7.789 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 103 50.460 9.010 7.087 1.00 0.00 H new ATOM 0 HE ARG A 103 49.879 8.101 9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 103 48.611 9.638 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 103 46.943 9.660 7.568 1.00 0.00 H new ATOM 0 HH21 ARG A 103 47.640 7.737 10.403 1.00 0.00 H new ATOM 0 HH22 ARG A 103 46.398 8.594 9.484 1.00 0.00 H new ATOM 243 N ILE A 104 50.095 4.404 4.752 1.00 0.00 N ATOM 244 CA ILE A 104 49.489 3.795 3.531 1.00 0.00 C ATOM 245 C ILE A 104 50.106 2.419 3.264 1.00 0.00 C ATOM 246 O ILE A 104 49.410 1.453 3.024 1.00 0.00 O ATOM 247 CB ILE A 104 49.818 4.765 2.394 1.00 0.00 C ATOM 248 CG1 ILE A 104 48.862 5.959 2.452 1.00 0.00 C ATOM 249 CG2 ILE A 104 49.660 4.055 1.045 1.00 0.00 C ATOM 250 CD1 ILE A 104 49.266 6.879 3.605 1.00 0.00 C ATOM 0 H ILE A 104 50.755 5.162 4.580 1.00 0.00 H new ATOM 0 HA ILE A 104 48.414 3.645 3.635 1.00 0.00 H new ATOM 0 HB ILE A 104 50.846 5.111 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 104 48.888 6.506 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 104 47.838 5.612 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 104 49.895 4.750 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 104 50.339 3.204 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 104 48.633 3.706 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 104 48.586 7.730 3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 104 49.217 6.328 4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 104 50.284 7.236 3.446 1.00 0.00 H new ATOM 262 N PHE A 105 51.407 2.322 3.300 1.00 0.00 N ATOM 263 CA PHE A 105 52.065 1.008 3.044 1.00 0.00 C ATOM 264 C PHE A 105 52.018 0.136 4.302 1.00 0.00 C ATOM 265 O PHE A 105 51.626 -1.013 4.258 1.00 0.00 O ATOM 266 CB PHE A 105 53.509 1.356 2.680 1.00 0.00 C ATOM 267 CG PHE A 105 53.543 1.968 1.299 1.00 0.00 C ATOM 268 CD1 PHE A 105 53.626 1.145 0.170 1.00 0.00 C ATOM 269 CD2 PHE A 105 53.487 3.359 1.149 1.00 0.00 C ATOM 270 CE1 PHE A 105 53.654 1.713 -1.109 1.00 0.00 C ATOM 271 CE2 PHE A 105 53.515 3.927 -0.131 1.00 0.00 C ATOM 272 CZ PHE A 105 53.599 3.103 -1.259 1.00 0.00 C ATOM 0 H PHE A 105 52.043 3.095 3.495 1.00 0.00 H new ATOM 0 HA PHE A 105 51.570 0.444 2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.922 2.053 3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 105 54.129 0.460 2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 105 53.668 0.072 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 105 53.422 3.994 2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 105 53.718 1.078 -1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 105 53.472 5.000 -0.247 1.00 0.00 H new ATOM 0 HZ PHE A 105 53.621 3.540 -2.246 1.00 0.00 H new ATOM 282 N ASP A 106 52.416 0.673 5.424 1.00 0.00 N ATOM 283 CA ASP A 106 52.393 -0.126 6.683 1.00 0.00 C ATOM 284 C ASP A 106 50.948 -0.426 7.092 1.00 0.00 C ATOM 285 O ASP A 106 50.417 0.162 8.012 1.00 0.00 O ATOM 286 CB ASP A 106 53.074 0.763 7.724 1.00 0.00 C ATOM 287 CG ASP A 106 53.315 -0.038 9.005 1.00 0.00 C ATOM 288 OD1 ASP A 106 53.120 -1.241 8.974 1.00 0.00 O ATOM 289 OD2 ASP A 106 53.692 0.567 9.996 1.00 0.00 O ATOM 0 H ASP A 106 52.756 1.630 5.523 1.00 0.00 H new ATOM 0 HA ASP A 106 52.896 -1.087 6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 106 54.020 1.137 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 106 52.451 1.632 7.938 1.00 0.00 H new ATOM 294 N LYS A 107 50.307 -1.337 6.409 1.00 0.00 N ATOM 295 CA LYS A 107 48.895 -1.677 6.750 1.00 0.00 C ATOM 296 C LYS A 107 48.733 -1.864 8.262 1.00 0.00 C ATOM 297 O LYS A 107 47.744 -1.463 8.843 1.00 0.00 O ATOM 298 CB LYS A 107 48.617 -2.990 6.017 1.00 0.00 C ATOM 299 CG LYS A 107 47.423 -2.810 5.078 1.00 0.00 C ATOM 300 CD LYS A 107 47.628 -1.556 4.224 1.00 0.00 C ATOM 301 CE LYS A 107 47.287 -1.871 2.765 1.00 0.00 C ATOM 302 NZ LYS A 107 46.387 -0.766 2.333 1.00 0.00 N ATOM 0 H LYS A 107 50.701 -1.861 5.628 1.00 0.00 H new ATOM 0 HA LYS A 107 48.203 -0.887 6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 107 49.496 -3.295 5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 107 48.411 -3.783 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 107 47.316 -3.685 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 107 46.503 -2.723 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 107 46.996 -0.747 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 107 48.660 -1.215 4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 107 48.186 -1.912 2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 107 46.795 -2.839 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 46.110 -0.912 1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 45.537 -0.756 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 46.885 0.143 2.423 1.00 0.00 H new ATOM 316 N ASN A 108 49.692 -2.471 8.905 1.00 0.00 N ATOM 317 CA ASN A 108 49.586 -2.681 10.376 1.00 0.00 C ATOM 318 C ASN A 108 50.477 -1.681 11.112 1.00 0.00 C ATOM 319 O ASN A 108 51.334 -1.052 10.524 1.00 0.00 O ATOM 320 CB ASN A 108 50.073 -4.112 10.612 1.00 0.00 C ATOM 321 CG ASN A 108 49.404 -5.052 9.607 1.00 0.00 C ATOM 322 OD1 ASN A 108 48.254 -5.413 9.769 1.00 0.00 O ATOM 323 ND2 ASN A 108 50.080 -5.468 8.572 1.00 0.00 N ATOM 0 H ASN A 108 50.544 -2.831 8.475 1.00 0.00 H new ATOM 0 HA ASN A 108 48.570 -2.535 10.743 1.00 0.00 H new ATOM 0 HB2 ASN A 108 51.157 -4.161 10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.838 -4.424 11.630 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.644 -6.097 7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 108 51.044 -5.165 8.437 1.00 0.00 H new ATOM 330 N ALA A 109 50.282 -1.524 12.391 1.00 0.00 N ATOM 331 CA ALA A 109 51.124 -0.560 13.152 1.00 0.00 C ATOM 332 C ALA A 109 52.392 -1.250 13.658 1.00 0.00 C ATOM 333 O ALA A 109 52.611 -1.378 14.846 1.00 0.00 O ATOM 334 CB ALA A 109 50.252 -0.107 14.323 1.00 0.00 C ATOM 0 H ALA A 109 49.579 -2.019 12.940 1.00 0.00 H new ATOM 0 HA ALA A 109 51.446 0.281 12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 109 50.805 0.608 14.933 1.00 0.00 H new ATOM 0 HB2 ALA A 109 49.347 0.365 13.941 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.982 -0.970 14.931 1.00 0.00 H new ATOM 340 N ASP A 110 53.231 -1.695 12.763 1.00 0.00 N ATOM 341 CA ASP A 110 54.488 -2.375 13.189 1.00 0.00 C ATOM 342 C ASP A 110 55.675 -1.420 13.049 1.00 0.00 C ATOM 343 O ASP A 110 56.723 -1.624 13.631 1.00 0.00 O ATOM 344 CB ASP A 110 54.640 -3.563 12.236 1.00 0.00 C ATOM 345 CG ASP A 110 54.506 -3.079 10.790 1.00 0.00 C ATOM 346 OD1 ASP A 110 54.774 -1.915 10.548 1.00 0.00 O ATOM 347 OD2 ASP A 110 54.137 -3.884 9.950 1.00 0.00 O ATOM 0 H ASP A 110 53.101 -1.617 11.754 1.00 0.00 H new ATOM 0 HA ASP A 110 54.454 -2.692 14.231 1.00 0.00 H new ATOM 0 HB2 ASP A 110 55.610 -4.039 12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 110 53.880 -4.315 12.451 1.00 0.00 H new ATOM 352 N GLY A 111 55.520 -0.377 12.280 1.00 0.00 N ATOM 353 CA GLY A 111 56.639 0.591 12.102 1.00 0.00 C ATOM 354 C GLY A 111 57.700 -0.015 11.182 1.00 0.00 C ATOM 355 O GLY A 111 58.753 0.555 10.978 1.00 0.00 O ATOM 0 H GLY A 111 54.667 -0.153 11.767 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.264 1.522 11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 111 57.079 0.836 13.069 1.00 0.00 H new ATOM 359 N PHE A 112 57.433 -1.165 10.624 1.00 0.00 N ATOM 360 CA PHE A 112 58.431 -1.803 9.719 1.00 0.00 C ATOM 361 C PHE A 112 57.723 -2.619 8.634 1.00 0.00 C ATOM 362 O PHE A 112 57.141 -3.651 8.899 1.00 0.00 O ATOM 363 CB PHE A 112 59.253 -2.727 10.621 1.00 0.00 C ATOM 364 CG PHE A 112 59.892 -1.927 11.730 1.00 0.00 C ATOM 365 CD1 PHE A 112 60.807 -0.912 11.428 1.00 0.00 C ATOM 366 CD2 PHE A 112 59.573 -2.206 13.065 1.00 0.00 C ATOM 367 CE1 PHE A 112 61.402 -0.174 12.459 1.00 0.00 C ATOM 368 CE2 PHE A 112 60.168 -1.469 14.096 1.00 0.00 C ATOM 369 CZ PHE A 112 61.083 -0.453 13.793 1.00 0.00 C ATOM 0 H PHE A 112 56.568 -1.689 10.756 1.00 0.00 H new ATOM 0 HA PHE A 112 59.051 -1.065 9.211 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.613 -3.502 11.042 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.021 -3.232 10.036 1.00 0.00 H new ATOM 0 HD1 PHE A 112 61.055 -0.698 10.399 1.00 0.00 H new ATOM 0 HD2 PHE A 112 58.868 -2.990 13.299 1.00 0.00 H new ATOM 0 HE1 PHE A 112 62.107 0.610 12.225 1.00 0.00 H new ATOM 0 HE2 PHE A 112 59.921 -1.684 15.125 1.00 0.00 H new ATOM 0 HZ PHE A 112 61.542 0.115 14.588 1.00 0.00 H new ATOM 379 N ILE A 113 57.778 -2.167 7.410 1.00 0.00 N ATOM 380 CA ILE A 113 57.116 -2.922 6.306 1.00 0.00 C ATOM 381 C ILE A 113 58.038 -4.045 5.821 1.00 0.00 C ATOM 382 O ILE A 113 59.244 -3.902 5.803 1.00 0.00 O ATOM 383 CB ILE A 113 56.888 -1.889 5.202 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.211 -0.651 5.798 1.00 0.00 C ATOM 385 CG2 ILE A 113 55.989 -2.487 4.120 1.00 0.00 C ATOM 386 CD1 ILE A 113 57.008 0.599 5.422 1.00 0.00 C ATOM 0 H ILE A 113 58.252 -1.309 7.127 1.00 0.00 H new ATOM 0 HA ILE A 113 56.182 -3.389 6.617 1.00 0.00 H new ATOM 0 HB ILE A 113 57.846 -1.608 4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.189 -0.569 5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 113 56.150 -0.744 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 113 55.827 -1.750 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 113 56.467 -3.370 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.031 -2.768 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.526 1.479 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 113 58.022 0.516 5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 113 57.046 0.694 4.337 1.00 0.00 H new ATOM 398 N ASP A 114 57.485 -5.165 5.438 1.00 0.00 N ATOM 399 CA ASP A 114 58.342 -6.292 4.967 1.00 0.00 C ATOM 400 C ASP A 114 58.004 -6.663 3.521 1.00 0.00 C ATOM 401 O ASP A 114 57.372 -5.910 2.806 1.00 0.00 O ATOM 402 CB ASP A 114 58.016 -7.455 5.906 1.00 0.00 C ATOM 403 CG ASP A 114 56.502 -7.660 5.958 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.807 -6.995 5.206 1.00 0.00 O ATOM 405 OD2 ASP A 114 56.062 -8.480 6.746 1.00 0.00 O ATOM 0 H ASP A 114 56.482 -5.348 5.431 1.00 0.00 H new ATOM 0 HA ASP A 114 59.401 -6.032 4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.505 -8.365 5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.400 -7.248 6.905 1.00 0.00 H new ATOM 410 N ILE A 115 58.429 -7.819 3.084 1.00 0.00 N ATOM 411 CA ILE A 115 58.143 -8.244 1.681 1.00 0.00 C ATOM 412 C ILE A 115 56.713 -8.779 1.556 1.00 0.00 C ATOM 413 O ILE A 115 55.999 -8.449 0.632 1.00 0.00 O ATOM 414 CB ILE A 115 59.156 -9.351 1.382 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.004 -9.796 -0.074 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.905 -10.549 2.302 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.379 -9.840 -0.742 1.00 0.00 C ATOM 0 H ILE A 115 58.963 -8.489 3.638 1.00 0.00 H new ATOM 0 HA ILE A 115 58.227 -7.412 0.982 1.00 0.00 H new ATOM 0 HB ILE A 115 60.163 -8.970 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 115 58.536 -10.779 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.350 -9.107 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.630 -11.333 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 115 59.009 -10.238 3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 115 57.897 -10.930 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.270 -10.157 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 115 60.830 -8.848 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.018 -10.546 -0.212 1.00 0.00 H new ATOM 429 N GLU A 116 56.289 -9.607 2.473 1.00 0.00 N ATOM 430 CA GLU A 116 54.906 -10.159 2.391 1.00 0.00 C ATOM 431 C GLU A 116 53.895 -9.024 2.214 1.00 0.00 C ATOM 432 O GLU A 116 52.834 -9.209 1.650 1.00 0.00 O ATOM 433 CB GLU A 116 54.683 -10.884 3.719 1.00 0.00 C ATOM 434 CG GLU A 116 54.783 -9.887 4.873 1.00 0.00 C ATOM 435 CD GLU A 116 53.387 -9.617 5.437 1.00 0.00 C ATOM 436 OE1 GLU A 116 52.521 -9.241 4.664 1.00 0.00 O ATOM 437 OE2 GLU A 116 53.207 -9.793 6.631 1.00 0.00 O ATOM 0 H GLU A 116 56.838 -9.924 3.272 1.00 0.00 H new ATOM 0 HA GLU A 116 54.779 -10.830 1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 116 53.704 -11.363 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 116 55.424 -11.673 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 116 55.432 -10.283 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 116 55.233 -8.957 4.526 1.00 0.00 H new ATOM 444 N GLU A 117 54.215 -7.852 2.687 1.00 0.00 N ATOM 445 CA GLU A 117 53.272 -6.706 2.539 1.00 0.00 C ATOM 446 C GLU A 117 53.321 -6.174 1.104 1.00 0.00 C ATOM 447 O GLU A 117 52.304 -5.984 0.466 1.00 0.00 O ATOM 448 CB GLU A 117 53.775 -5.648 3.521 1.00 0.00 C ATOM 449 CG GLU A 117 53.038 -5.796 4.854 1.00 0.00 C ATOM 450 CD GLU A 117 53.208 -4.516 5.676 1.00 0.00 C ATOM 451 OE1 GLU A 117 52.789 -3.473 5.205 1.00 0.00 O ATOM 452 OE2 GLU A 117 53.757 -4.604 6.762 1.00 0.00 O ATOM 0 H GLU A 117 55.088 -7.637 3.169 1.00 0.00 H new ATOM 0 HA GLU A 117 52.239 -6.988 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 117 54.849 -5.759 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.612 -4.651 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 117 51.980 -5.990 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.430 -6.650 5.406 1.00 0.00 H new ATOM 459 N LEU A 118 54.498 -5.939 0.592 1.00 0.00 N ATOM 460 CA LEU A 118 54.617 -5.425 -0.801 1.00 0.00 C ATOM 461 C LEU A 118 53.817 -6.313 -1.758 1.00 0.00 C ATOM 462 O LEU A 118 53.110 -5.834 -2.622 1.00 0.00 O ATOM 463 CB LEU A 118 56.110 -5.504 -1.123 1.00 0.00 C ATOM 464 CG LEU A 118 56.622 -4.120 -1.524 1.00 0.00 C ATOM 465 CD1 LEU A 118 56.569 -3.186 -0.313 1.00 0.00 C ATOM 466 CD2 LEU A 118 58.066 -4.235 -2.016 1.00 0.00 C ATOM 0 H LEU A 118 55.383 -6.081 1.079 1.00 0.00 H new ATOM 0 HA LEU A 118 54.229 -4.412 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 118 56.660 -5.869 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.281 -6.215 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 118 55.997 -3.717 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 118 56.934 -2.199 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 118 55.541 -3.105 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 118 57.195 -3.588 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 118 58.432 -3.249 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 118 58.691 -4.637 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 118 58.105 -4.901 -2.878 1.00 0.00 H new ATOM 478 N GLY A 119 53.926 -7.604 -1.607 1.00 0.00 N ATOM 479 CA GLY A 119 53.177 -8.527 -2.505 1.00 0.00 C ATOM 480 C GLY A 119 51.713 -8.090 -2.590 1.00 0.00 C ATOM 481 O GLY A 119 51.315 -7.396 -3.504 1.00 0.00 O ATOM 0 H GLY A 119 54.502 -8.060 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.625 -8.526 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.240 -9.548 -2.128 1.00 0.00 H new ATOM 485 N GLU A 120 50.906 -8.495 -1.647 1.00 0.00 N ATOM 486 CA GLU A 120 49.466 -8.107 -1.679 1.00 0.00 C ATOM 487 C GLU A 120 49.316 -6.634 -2.073 1.00 0.00 C ATOM 488 O GLU A 120 48.494 -6.285 -2.897 1.00 0.00 O ATOM 489 CB GLU A 120 48.957 -8.339 -0.255 1.00 0.00 C ATOM 490 CG GLU A 120 49.700 -7.418 0.715 1.00 0.00 C ATOM 491 CD GLU A 120 49.463 -7.890 2.149 1.00 0.00 C ATOM 492 OE1 GLU A 120 50.064 -8.880 2.533 1.00 0.00 O ATOM 493 OE2 GLU A 120 48.682 -7.256 2.839 1.00 0.00 O ATOM 0 H GLU A 120 51.181 -9.077 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 120 48.903 -8.686 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 120 47.885 -8.146 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.107 -9.380 0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 120 50.767 -7.421 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 120 49.353 -6.392 0.597 1.00 0.00 H new ATOM 500 N ILE A 121 50.104 -5.766 -1.497 1.00 0.00 N ATOM 501 CA ILE A 121 49.996 -4.323 -1.851 1.00 0.00 C ATOM 502 C ILE A 121 50.028 -4.162 -3.371 1.00 0.00 C ATOM 503 O ILE A 121 49.146 -3.573 -3.963 1.00 0.00 O ATOM 504 CB ILE A 121 51.217 -3.661 -1.210 1.00 0.00 C ATOM 505 CG1 ILE A 121 50.970 -3.486 0.291 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.452 -2.290 -1.847 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.137 -2.718 0.915 1.00 0.00 C ATOM 0 H ILE A 121 50.814 -5.993 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 121 49.067 -3.874 -1.499 1.00 0.00 H new ATOM 0 HB ILE A 121 52.094 -4.289 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.037 -2.948 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 121 50.865 -4.460 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.322 -1.820 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.626 -2.411 -2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.576 -1.661 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 121 51.961 -2.594 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.062 -3.274 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.221 -1.738 0.445 1.00 0.00 H new ATOM 519 N LEU A 122 51.036 -4.692 -4.008 1.00 0.00 N ATOM 520 CA LEU A 122 51.122 -4.580 -5.491 1.00 0.00 C ATOM 521 C LEU A 122 50.091 -5.505 -6.140 1.00 0.00 C ATOM 522 O LEU A 122 49.360 -5.110 -7.027 1.00 0.00 O ATOM 523 CB LEU A 122 52.541 -5.027 -5.840 1.00 0.00 C ATOM 524 CG LEU A 122 53.526 -3.906 -5.507 1.00 0.00 C ATOM 525 CD1 LEU A 122 54.921 -4.286 -6.008 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.076 -2.611 -6.190 1.00 0.00 C ATOM 0 H LEU A 122 51.803 -5.198 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 122 50.918 -3.570 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 122 52.797 -5.928 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.604 -5.278 -6.899 1.00 0.00 H new ATOM 0 HG LEU A 122 53.555 -3.758 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.623 -3.487 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.243 -5.208 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 122 54.892 -4.435 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 122 53.778 -1.812 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 122 53.047 -2.760 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.082 -2.339 -5.835 1.00 0.00 H new ATOM 538 N ARG A 123 50.023 -6.732 -5.701 1.00 0.00 N ATOM 539 CA ARG A 123 49.033 -7.679 -6.290 1.00 0.00 C ATOM 540 C ARG A 123 47.647 -7.032 -6.315 1.00 0.00 C ATOM 541 O ARG A 123 46.885 -7.209 -7.245 1.00 0.00 O ATOM 542 CB ARG A 123 49.042 -8.894 -5.361 1.00 0.00 C ATOM 543 CG ARG A 123 50.116 -9.883 -5.822 1.00 0.00 C ATOM 544 CD ARG A 123 49.510 -11.285 -5.921 1.00 0.00 C ATOM 545 NE ARG A 123 50.658 -12.214 -5.728 1.00 0.00 N ATOM 546 CZ ARG A 123 51.072 -12.956 -6.720 1.00 0.00 C ATOM 547 NH1 ARG A 123 50.253 -13.796 -7.291 1.00 0.00 N ATOM 548 NH2 ARG A 123 52.304 -12.859 -7.139 1.00 0.00 N ATOM 0 H ARG A 123 50.609 -7.120 -4.961 1.00 0.00 H new ATOM 0 HA ARG A 123 49.279 -7.953 -7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.238 -8.580 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.064 -9.375 -5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 123 50.515 -9.578 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 123 50.950 -9.884 -5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 123 48.745 -11.439 -5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 123 49.033 -11.442 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 123 51.121 -12.271 -4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 123 49.290 -13.873 -6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 123 50.575 -14.376 -8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 123 52.945 -12.203 -6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 123 52.626 -13.439 -7.914 1.00 0.00 H new ATOM 562 N ALA A 124 47.317 -6.278 -5.302 1.00 0.00 N ATOM 563 CA ALA A 124 45.982 -5.615 -5.269 1.00 0.00 C ATOM 564 C ALA A 124 45.706 -4.935 -6.611 1.00 0.00 C ATOM 565 O ALA A 124 44.578 -4.833 -7.049 1.00 0.00 O ATOM 566 CB ALA A 124 46.084 -4.576 -4.153 1.00 0.00 C ATOM 0 H ALA A 124 47.914 -6.092 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 124 45.170 -6.321 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.137 -4.043 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.308 -5.075 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 124 46.879 -3.868 -4.387 1.00 0.00 H new ATOM 572 N THR A 125 46.733 -4.468 -7.267 1.00 0.00 N ATOM 573 CA THR A 125 46.538 -3.794 -8.581 1.00 0.00 C ATOM 574 C THR A 125 46.104 -4.813 -9.637 1.00 0.00 C ATOM 575 O THR A 125 45.434 -5.783 -9.340 1.00 0.00 O ATOM 576 CB THR A 125 47.908 -3.210 -8.930 1.00 0.00 C ATOM 577 OG1 THR A 125 48.820 -4.272 -9.182 1.00 0.00 O ATOM 578 CG2 THR A 125 48.415 -2.360 -7.763 1.00 0.00 C ATOM 0 H THR A 125 47.700 -4.525 -6.949 1.00 0.00 H new ATOM 0 HA THR A 125 45.764 -3.027 -8.543 1.00 0.00 H new ATOM 0 HB THR A 125 47.824 -2.584 -9.819 1.00 0.00 H new ATOM 0 HG1 THR A 125 49.429 -4.368 -8.420 1.00 0.00 H new ATOM 0 HG21 THR A 125 49.391 -1.944 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 125 47.713 -1.548 -7.572 1.00 0.00 H new ATOM 0 HG23 THR A 125 48.502 -2.981 -6.872 1.00 0.00 H new ATOM 586 N GLY A 126 46.483 -4.605 -10.869 1.00 0.00 N ATOM 587 CA GLY A 126 46.092 -5.565 -11.940 1.00 0.00 C ATOM 588 C GLY A 126 47.339 -6.019 -12.699 1.00 0.00 C ATOM 589 O GLY A 126 47.317 -6.190 -13.902 1.00 0.00 O ATOM 0 H GLY A 126 47.046 -3.813 -11.180 1.00 0.00 H new ATOM 0 HA2 GLY A 126 45.585 -6.426 -11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 126 45.387 -5.094 -12.626 1.00 0.00 H new ATOM 593 N GLU A 127 48.429 -6.217 -12.008 1.00 0.00 N ATOM 594 CA GLU A 127 49.676 -6.662 -12.693 1.00 0.00 C ATOM 595 C GLU A 127 50.043 -8.083 -12.259 1.00 0.00 C ATOM 596 O GLU A 127 49.208 -8.840 -11.807 1.00 0.00 O ATOM 597 CB GLU A 127 50.750 -5.671 -12.243 1.00 0.00 C ATOM 598 CG GLU A 127 50.303 -4.245 -12.573 1.00 0.00 C ATOM 599 CD GLU A 127 50.751 -3.886 -13.991 1.00 0.00 C ATOM 600 OE1 GLU A 127 50.520 -4.683 -14.884 1.00 0.00 O ATOM 601 OE2 GLU A 127 51.320 -2.819 -14.158 1.00 0.00 O ATOM 0 H GLU A 127 48.510 -6.090 -10.999 1.00 0.00 H new ATOM 0 HA GLU A 127 49.566 -6.681 -13.777 1.00 0.00 H new ATOM 0 HB2 GLU A 127 50.924 -5.770 -11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 127 51.694 -5.891 -12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 127 49.219 -4.164 -12.491 1.00 0.00 H new ATOM 0 HG3 GLU A 127 50.730 -3.543 -11.856 1.00 0.00 H new ATOM 608 N HIS A 128 51.288 -8.448 -12.393 1.00 0.00 N ATOM 609 CA HIS A 128 51.713 -9.819 -11.988 1.00 0.00 C ATOM 610 C HIS A 128 53.131 -9.780 -11.413 1.00 0.00 C ATOM 611 O HIS A 128 54.008 -10.498 -11.851 1.00 0.00 O ATOM 612 CB HIS A 128 51.679 -10.639 -13.276 1.00 0.00 C ATOM 613 CG HIS A 128 52.529 -9.967 -14.319 1.00 0.00 C ATOM 614 ND1 HIS A 128 53.897 -10.172 -14.402 1.00 0.00 N ATOM 615 CD2 HIS A 128 52.221 -9.089 -15.329 1.00 0.00 C ATOM 616 CE1 HIS A 128 54.357 -9.434 -15.429 1.00 0.00 C ATOM 617 NE2 HIS A 128 53.376 -8.753 -16.028 1.00 0.00 N ATOM 0 H HIS A 128 52.031 -7.856 -12.766 1.00 0.00 H new ATOM 0 HA HIS A 128 51.068 -10.244 -11.218 1.00 0.00 H new ATOM 0 HB2 HIS A 128 52.045 -11.648 -13.087 1.00 0.00 H new ATOM 0 HB3 HIS A 128 50.653 -10.734 -13.633 1.00 0.00 H new ATOM 0 HD1 HIS A 128 54.454 -10.773 -13.795 1.00 0.00 H new ATOM 0 HD2 HIS A 128 51.231 -8.716 -15.548 1.00 0.00 H new ATOM 0 HE1 HIS A 128 55.393 -9.397 -15.732 1.00 0.00 H new ATOM 625 N VAL A 129 53.361 -8.945 -10.439 1.00 0.00 N ATOM 626 CA VAL A 129 54.723 -8.854 -9.839 1.00 0.00 C ATOM 627 C VAL A 129 55.126 -10.199 -9.226 1.00 0.00 C ATOM 628 O VAL A 129 54.299 -11.054 -8.982 1.00 0.00 O ATOM 629 CB VAL A 129 54.603 -7.783 -8.755 1.00 0.00 C ATOM 630 CG1 VAL A 129 55.973 -7.543 -8.119 1.00 0.00 C ATOM 631 CG2 VAL A 129 54.097 -6.481 -9.380 1.00 0.00 C ATOM 0 H VAL A 129 52.665 -8.321 -10.031 1.00 0.00 H new ATOM 0 HA VAL A 129 55.485 -8.605 -10.578 1.00 0.00 H new ATOM 0 HB VAL A 129 53.902 -8.118 -7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.887 -6.779 -7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.335 -8.470 -7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.675 -7.209 -8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 129 54.011 -5.716 -8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 129 54.799 -6.148 -10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 129 53.120 -6.651 -9.833 1.00 0.00 H new ATOM 641 N ILE A 130 56.394 -10.392 -8.977 1.00 0.00 N ATOM 642 CA ILE A 130 56.852 -11.682 -8.382 1.00 0.00 C ATOM 643 C ILE A 130 57.926 -11.426 -7.321 1.00 0.00 C ATOM 644 O ILE A 130 58.650 -10.452 -7.380 1.00 0.00 O ATOM 645 CB ILE A 130 57.433 -12.476 -9.553 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.483 -11.627 -10.273 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.314 -12.838 -10.532 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.002 -12.386 -11.495 1.00 0.00 C ATOM 0 H ILE A 130 57.132 -9.712 -9.160 1.00 0.00 H new ATOM 0 HA ILE A 130 56.041 -12.218 -7.889 1.00 0.00 H new ATOM 0 HB ILE A 130 57.896 -13.388 -9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.049 -10.676 -10.580 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.307 -11.398 -9.597 1.00 0.00 H new ATOM 0 HG21 ILE A 130 56.729 -13.404 -11.366 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.565 -13.442 -10.021 1.00 0.00 H new ATOM 0 HG23 ILE A 130 55.850 -11.926 -10.908 1.00 0.00 H new ATOM 0 HD11 ILE A 130 59.750 -11.782 -12.008 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.452 -13.326 -11.175 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.174 -12.592 -12.174 1.00 0.00 H new ATOM 660 N GLU A 131 58.030 -12.294 -6.351 1.00 0.00 N ATOM 661 CA GLU A 131 59.055 -12.107 -5.283 1.00 0.00 C ATOM 662 C GLU A 131 60.377 -11.628 -5.891 1.00 0.00 C ATOM 663 O GLU A 131 60.931 -10.626 -5.485 1.00 0.00 O ATOM 664 CB GLU A 131 59.225 -13.489 -4.651 1.00 0.00 C ATOM 665 CG GLU A 131 58.886 -13.414 -3.160 1.00 0.00 C ATOM 666 CD GLU A 131 60.168 -13.555 -2.337 1.00 0.00 C ATOM 667 OE1 GLU A 131 61.150 -14.033 -2.882 1.00 0.00 O ATOM 668 OE2 GLU A 131 60.147 -13.183 -1.176 1.00 0.00 O ATOM 0 H GLU A 131 57.448 -13.126 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 131 58.754 -11.357 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 131 58.575 -14.210 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 131 60.249 -13.838 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 131 58.399 -12.465 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 131 58.183 -14.204 -2.896 1.00 0.00 H new ATOM 675 N GLU A 132 60.886 -12.337 -6.862 1.00 0.00 N ATOM 676 CA GLU A 132 62.171 -11.919 -7.493 1.00 0.00 C ATOM 677 C GLU A 132 62.170 -10.407 -7.731 1.00 0.00 C ATOM 678 O GLU A 132 63.179 -9.745 -7.586 1.00 0.00 O ATOM 679 CB GLU A 132 62.228 -12.676 -8.821 1.00 0.00 C ATOM 680 CG GLU A 132 63.171 -13.872 -8.682 1.00 0.00 C ATOM 681 CD GLU A 132 63.873 -14.127 -10.017 1.00 0.00 C ATOM 682 OE1 GLU A 132 63.617 -13.384 -10.950 1.00 0.00 O ATOM 683 OE2 GLU A 132 64.656 -15.060 -10.083 1.00 0.00 O ATOM 0 H GLU A 132 60.469 -13.185 -7.245 1.00 0.00 H new ATOM 0 HA GLU A 132 63.034 -12.141 -6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.231 -13.015 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.575 -12.015 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 132 63.908 -13.679 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 132 62.611 -14.757 -8.379 1.00 0.00 H new ATOM 690 N ASP A 133 61.042 -9.855 -8.085 1.00 0.00 N ATOM 691 CA ASP A 133 60.972 -8.386 -8.320 1.00 0.00 C ATOM 692 C ASP A 133 60.705 -7.670 -6.995 1.00 0.00 C ATOM 693 O ASP A 133 61.334 -6.683 -6.672 1.00 0.00 O ATOM 694 CB ASP A 133 59.802 -8.191 -9.285 1.00 0.00 C ATOM 695 CG ASP A 133 60.318 -7.615 -10.604 1.00 0.00 C ATOM 696 OD1 ASP A 133 61.260 -8.172 -11.143 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.764 -6.625 -11.053 1.00 0.00 O ATOM 0 H ASP A 133 60.166 -10.359 -8.222 1.00 0.00 H new ATOM 0 HA ASP A 133 61.898 -7.981 -8.728 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.301 -9.143 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.064 -7.519 -8.847 1.00 0.00 H new ATOM 702 N ILE A 134 59.782 -8.173 -6.223 1.00 0.00 N ATOM 703 CA ILE A 134 59.480 -7.536 -4.912 1.00 0.00 C ATOM 704 C ILE A 134 60.714 -7.605 -4.011 1.00 0.00 C ATOM 705 O ILE A 134 61.022 -6.680 -3.286 1.00 0.00 O ATOM 706 CB ILE A 134 58.341 -8.363 -4.323 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.168 -8.369 -5.305 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.900 -7.745 -2.996 1.00 0.00 C ATOM 709 CD1 ILE A 134 55.950 -9.018 -4.649 1.00 0.00 C ATOM 0 H ILE A 134 59.224 -8.998 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 134 59.207 -6.485 -5.010 1.00 0.00 H new ATOM 0 HB ILE A 134 58.676 -9.386 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.930 -7.349 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.440 -8.915 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.086 -8.334 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.740 -7.736 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.559 -6.724 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.117 -9.020 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.191 -10.043 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.672 -8.454 -3.759 1.00 0.00 H new ATOM 721 N GLU A 135 61.421 -8.700 -4.057 1.00 0.00 N ATOM 722 CA GLU A 135 62.640 -8.840 -3.211 1.00 0.00 C ATOM 723 C GLU A 135 63.639 -7.728 -3.539 1.00 0.00 C ATOM 724 O GLU A 135 64.206 -7.109 -2.660 1.00 0.00 O ATOM 725 CB GLU A 135 63.222 -10.206 -3.578 1.00 0.00 C ATOM 726 CG GLU A 135 62.641 -11.276 -2.651 1.00 0.00 C ATOM 727 CD GLU A 135 63.533 -11.421 -1.416 1.00 0.00 C ATOM 728 OE1 GLU A 135 63.569 -10.495 -0.624 1.00 0.00 O ATOM 729 OE2 GLU A 135 64.165 -12.457 -1.285 1.00 0.00 O ATOM 0 H GLU A 135 61.207 -9.506 -4.645 1.00 0.00 H new ATOM 0 HA GLU A 135 62.416 -8.764 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 135 62.990 -10.445 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.308 -10.185 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 135 61.629 -11.002 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 135 62.572 -12.229 -3.176 1.00 0.00 H new ATOM 736 N ASP A 136 63.856 -7.469 -4.800 1.00 0.00 N ATOM 737 CA ASP A 136 64.818 -6.396 -5.186 1.00 0.00 C ATOM 738 C ASP A 136 64.605 -5.155 -4.316 1.00 0.00 C ATOM 739 O ASP A 136 65.535 -4.612 -3.755 1.00 0.00 O ATOM 740 CB ASP A 136 64.500 -6.087 -6.649 1.00 0.00 C ATOM 741 CG ASP A 136 65.726 -5.463 -7.317 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.565 -6.214 -7.788 1.00 0.00 O ATOM 743 OD2 ASP A 136 65.804 -4.246 -7.348 1.00 0.00 O ATOM 0 H ASP A 136 63.410 -7.953 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 136 65.855 -6.703 -5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.214 -7.000 -7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.652 -5.405 -6.712 1.00 0.00 H new ATOM 748 N LEU A 137 63.387 -4.701 -4.201 1.00 0.00 N ATOM 749 CA LEU A 137 63.116 -3.493 -3.368 1.00 0.00 C ATOM 750 C LEU A 137 63.578 -3.726 -1.927 1.00 0.00 C ATOM 751 O LEU A 137 64.135 -2.849 -1.296 1.00 0.00 O ATOM 752 CB LEU A 137 61.601 -3.307 -3.422 1.00 0.00 C ATOM 753 CG LEU A 137 61.199 -2.790 -4.804 1.00 0.00 C ATOM 754 CD1 LEU A 137 59.700 -2.489 -4.818 1.00 0.00 C ATOM 755 CD2 LEU A 137 61.979 -1.510 -5.115 1.00 0.00 C ATOM 0 H LEU A 137 62.568 -5.113 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 137 63.648 -2.614 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 137 61.100 -4.253 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 137 61.283 -2.604 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 137 61.425 -3.546 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 137 59.412 -2.120 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 137 59.144 -3.399 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 137 59.474 -1.732 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 137 61.694 -1.140 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 137 61.752 -0.754 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 137 63.048 -1.723 -5.103 1.00 0.00 H new ATOM 767 N MET A 138 63.356 -4.899 -1.401 1.00 0.00 N ATOM 768 CA MET A 138 63.789 -5.179 -0.003 1.00 0.00 C ATOM 769 C MET A 138 65.314 -5.135 0.080 1.00 0.00 C ATOM 770 O MET A 138 65.883 -4.494 0.941 1.00 0.00 O ATOM 771 CB MET A 138 63.268 -6.583 0.303 1.00 0.00 C ATOM 772 CG MET A 138 63.795 -7.045 1.666 1.00 0.00 C ATOM 773 SD MET A 138 63.520 -5.746 2.900 1.00 0.00 S ATOM 774 CE MET A 138 61.711 -5.776 2.874 1.00 0.00 C ATOM 0 H MET A 138 62.895 -5.674 -1.877 1.00 0.00 H new ATOM 0 HA MET A 138 63.407 -4.448 0.709 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.178 -6.584 0.305 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.587 -7.277 -0.475 1.00 0.00 H new ATOM 0 HG2 MET A 138 63.290 -7.962 1.970 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.858 -7.275 1.597 1.00 0.00 H new ATOM 0 HE1 MET A 138 61.325 -5.062 3.602 1.00 0.00 H new ATOM 0 HE2 MET A 138 61.357 -5.507 1.879 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.360 -6.777 3.126 1.00 0.00 H new ATOM 784 N LYS A 139 65.981 -5.805 -0.820 1.00 0.00 N ATOM 785 CA LYS A 139 67.469 -5.790 -0.801 1.00 0.00 C ATOM 786 C LYS A 139 67.970 -4.375 -1.081 1.00 0.00 C ATOM 787 O LYS A 139 68.947 -3.924 -0.515 1.00 0.00 O ATOM 788 CB LYS A 139 67.893 -6.737 -1.924 1.00 0.00 C ATOM 789 CG LYS A 139 69.412 -6.679 -2.097 1.00 0.00 C ATOM 790 CD LYS A 139 70.089 -7.456 -0.967 1.00 0.00 C ATOM 791 CE LYS A 139 69.809 -8.952 -1.137 1.00 0.00 C ATOM 792 NZ LYS A 139 71.049 -9.634 -0.668 1.00 0.00 N ATOM 0 H LYS A 139 65.560 -6.360 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 139 67.877 -6.097 0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 139 67.582 -7.755 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 139 67.400 -6.458 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 139 69.694 -7.101 -3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 139 69.749 -5.642 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 139 71.163 -7.273 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 139 69.717 -7.113 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 139 68.943 -9.260 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 139 69.593 -9.197 -2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 70.933 -10.664 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 71.855 -9.327 -1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 71.225 -9.388 0.327 1.00 0.00 H new ATOM 806 N ASP A 140 67.300 -3.669 -1.951 1.00 0.00 N ATOM 807 CA ASP A 140 67.727 -2.280 -2.273 1.00 0.00 C ATOM 808 C ASP A 140 67.412 -1.351 -1.099 1.00 0.00 C ATOM 809 O ASP A 140 68.160 -0.443 -0.794 1.00 0.00 O ATOM 810 CB ASP A 140 66.907 -1.890 -3.504 1.00 0.00 C ATOM 811 CG ASP A 140 67.764 -1.039 -4.441 1.00 0.00 C ATOM 812 OD1 ASP A 140 68.539 -0.240 -3.942 1.00 0.00 O ATOM 813 OD2 ASP A 140 67.631 -1.200 -5.644 1.00 0.00 O ATOM 0 H ASP A 140 66.474 -3.996 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 140 68.798 -2.206 -2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.562 -2.785 -4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 140 66.019 -1.335 -3.201 1.00 0.00 H new ATOM 818 N SER A 141 66.307 -1.571 -0.438 1.00 0.00 N ATOM 819 CA SER A 141 65.944 -0.703 0.718 1.00 0.00 C ATOM 820 C SER A 141 66.615 -1.217 1.994 1.00 0.00 C ATOM 821 O SER A 141 67.189 -0.462 2.753 1.00 0.00 O ATOM 822 CB SER A 141 64.424 -0.817 0.836 1.00 0.00 C ATOM 823 OG SER A 141 63.881 0.444 1.214 1.00 0.00 O ATOM 0 H SER A 141 65.641 -2.314 -0.649 1.00 0.00 H new ATOM 0 HA SER A 141 66.268 0.328 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 141 63.998 -1.138 -0.114 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.162 -1.574 1.575 1.00 0.00 H new ATOM 0 HG SER A 141 64.584 0.995 1.618 1.00 0.00 H new ATOM 829 N ASP A 142 66.542 -2.498 2.235 1.00 0.00 N ATOM 830 CA ASP A 142 67.172 -3.063 3.461 1.00 0.00 C ATOM 831 C ASP A 142 68.684 -2.828 3.442 1.00 0.00 C ATOM 832 O ASP A 142 69.447 -3.669 3.008 1.00 0.00 O ATOM 833 CB ASP A 142 66.862 -4.560 3.409 1.00 0.00 C ATOM 834 CG ASP A 142 67.028 -5.165 4.804 1.00 0.00 C ATOM 835 OD1 ASP A 142 66.917 -4.423 5.767 1.00 0.00 O ATOM 836 OD2 ASP A 142 67.264 -6.359 4.886 1.00 0.00 O ATOM 0 H ASP A 142 66.073 -3.177 1.636 1.00 0.00 H new ATOM 0 HA ASP A 142 66.793 -2.597 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 142 65.845 -4.719 3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.529 -5.056 2.704 1.00 0.00 H new ATOM 841 N LYS A 143 69.124 -1.695 3.915 1.00 0.00 N ATOM 842 CA LYS A 143 70.588 -1.415 3.927 1.00 0.00 C ATOM 843 C LYS A 143 71.222 -2.019 5.183 1.00 0.00 C ATOM 844 O LYS A 143 72.428 -2.040 5.334 1.00 0.00 O ATOM 845 CB LYS A 143 70.700 0.109 3.949 1.00 0.00 C ATOM 846 CG LYS A 143 71.445 0.584 2.700 1.00 0.00 C ATOM 847 CD LYS A 143 72.454 1.667 3.087 1.00 0.00 C ATOM 848 CE LYS A 143 73.856 1.058 3.165 1.00 0.00 C ATOM 849 NZ LYS A 143 74.245 0.805 1.749 1.00 0.00 N ATOM 0 H LYS A 143 68.535 -0.953 4.293 1.00 0.00 H new ATOM 0 HA LYS A 143 71.102 -1.846 3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.707 0.557 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 143 71.229 0.433 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.958 -0.254 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 143 70.738 0.976 1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 143 72.437 2.473 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 143 72.183 2.105 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 143 74.555 1.738 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 143 73.854 0.135 3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 74.410 -0.213 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 73.482 1.121 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 75.116 1.330 1.529 1.00 0.00 H new ATOM 863 N ASN A 144 70.417 -2.509 6.086 1.00 0.00 N ATOM 864 CA ASN A 144 70.970 -3.112 7.334 1.00 0.00 C ATOM 865 C ASN A 144 70.557 -4.583 7.431 1.00 0.00 C ATOM 866 O ASN A 144 70.578 -5.174 8.492 1.00 0.00 O ATOM 867 CB ASN A 144 70.348 -2.310 8.482 1.00 0.00 C ATOM 868 CG ASN A 144 70.289 -0.825 8.110 1.00 0.00 C ATOM 869 OD1 ASN A 144 71.309 -0.184 7.954 1.00 0.00 O ATOM 870 ND2 ASN A 144 69.127 -0.251 7.959 1.00 0.00 N ATOM 0 H ASN A 144 69.400 -2.518 6.014 1.00 0.00 H new ATOM 0 HA ASN A 144 72.059 -3.077 7.359 1.00 0.00 H new ATOM 0 HB2 ASN A 144 69.345 -2.681 8.694 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.936 -2.443 9.390 1.00 0.00 H new ATOM 0 HD21 ASN A 144 69.075 0.737 7.710 1.00 0.00 H new ATOM 0 HD22 ASN A 144 68.271 -0.790 8.090 1.00 0.00 H new ATOM 877 N ASN A 145 70.178 -5.177 6.332 1.00 0.00 N ATOM 878 CA ASN A 145 69.762 -6.608 6.365 1.00 0.00 C ATOM 879 C ASN A 145 68.794 -6.848 7.526 1.00 0.00 C ATOM 880 O ASN A 145 68.879 -7.838 8.226 1.00 0.00 O ATOM 881 CB ASN A 145 71.057 -7.393 6.575 1.00 0.00 C ATOM 882 CG ASN A 145 72.035 -7.076 5.443 1.00 0.00 C ATOM 883 OD1 ASN A 145 73.033 -6.416 5.654 1.00 0.00 O ATOM 884 ND2 ASN A 145 71.793 -7.525 4.242 1.00 0.00 N ATOM 0 H ASN A 145 70.139 -4.734 5.414 1.00 0.00 H new ATOM 0 HA ASN A 145 69.247 -6.910 5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.500 -7.133 7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.847 -8.462 6.599 1.00 0.00 H new ATOM 0 HD21 ASN A 145 72.441 -7.322 3.481 1.00 0.00 H new ATOM 0 HD22 ASN A 145 70.955 -8.079 4.064 1.00 0.00 H new ATOM 891 N ASP A 146 67.873 -5.947 7.737 1.00 0.00 N ATOM 892 CA ASP A 146 66.898 -6.119 8.853 1.00 0.00 C ATOM 893 C ASP A 146 65.746 -7.030 8.417 1.00 0.00 C ATOM 894 O ASP A 146 64.928 -7.437 9.216 1.00 0.00 O ATOM 895 CB ASP A 146 66.384 -4.710 9.144 1.00 0.00 C ATOM 896 CG ASP A 146 67.499 -3.880 9.782 1.00 0.00 C ATOM 897 OD1 ASP A 146 68.490 -4.466 10.185 1.00 0.00 O ATOM 898 OD2 ASP A 146 67.344 -2.672 9.855 1.00 0.00 O ATOM 0 H ASP A 146 67.753 -5.098 7.184 1.00 0.00 H new ATOM 0 HA ASP A 146 67.351 -6.580 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 146 66.047 -4.237 8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 146 65.524 -4.756 9.812 1.00 0.00 H new ATOM 903 N GLY A 147 65.676 -7.349 7.154 1.00 0.00 N ATOM 904 CA GLY A 147 64.575 -8.230 6.668 1.00 0.00 C ATOM 905 C GLY A 147 63.360 -7.373 6.306 1.00 0.00 C ATOM 906 O GLY A 147 62.435 -7.830 5.665 1.00 0.00 O ATOM 0 H GLY A 147 66.332 -7.039 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.906 -8.797 5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 147 64.307 -8.954 7.438 1.00 0.00 H new ATOM 910 N ARG A 148 63.356 -6.133 6.710 1.00 0.00 N ATOM 911 CA ARG A 148 62.201 -5.244 6.389 1.00 0.00 C ATOM 912 C ARG A 148 62.686 -3.807 6.174 1.00 0.00 C ATOM 913 O ARG A 148 63.775 -3.445 6.571 1.00 0.00 O ATOM 914 CB ARG A 148 61.288 -5.325 7.612 1.00 0.00 C ATOM 915 CG ARG A 148 60.850 -6.775 7.828 1.00 0.00 C ATOM 916 CD ARG A 148 59.746 -6.826 8.886 1.00 0.00 C ATOM 917 NE ARG A 148 59.293 -8.244 8.901 1.00 0.00 N ATOM 918 CZ ARG A 148 59.087 -8.852 10.037 1.00 0.00 C ATOM 919 NH1 ARG A 148 57.939 -8.726 10.646 1.00 0.00 N ATOM 920 NH2 ARG A 148 60.028 -9.586 10.566 1.00 0.00 N ATOM 0 H ARG A 148 64.103 -5.695 7.249 1.00 0.00 H new ATOM 0 HA ARG A 148 61.687 -5.546 5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 148 61.811 -4.957 8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 148 60.415 -4.688 7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 148 60.490 -7.200 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.700 -7.379 8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 148 60.121 -6.521 9.863 1.00 0.00 H new ATOM 0 HD3 ARG A 148 58.927 -6.152 8.635 1.00 0.00 H new ATOM 0 HE ARG A 148 59.144 -8.741 8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 148 57.203 -8.152 10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 148 57.778 -9.201 11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 148 60.925 -9.685 10.091 1.00 0.00 H new ATOM 0 HH22 ARG A 148 59.866 -10.061 11.454 1.00 0.00 H new ATOM 934 N ILE A 149 61.887 -2.987 5.549 1.00 0.00 N ATOM 935 CA ILE A 149 62.308 -1.577 5.310 1.00 0.00 C ATOM 936 C ILE A 149 61.999 -0.715 6.538 1.00 0.00 C ATOM 937 O ILE A 149 60.859 -0.568 6.933 1.00 0.00 O ATOM 938 CB ILE A 149 61.487 -1.117 4.104 1.00 0.00 C ATOM 939 CG1 ILE A 149 62.102 -1.687 2.823 1.00 0.00 C ATOM 940 CG2 ILE A 149 61.491 0.412 4.030 1.00 0.00 C ATOM 941 CD1 ILE A 149 61.005 -2.305 1.957 1.00 0.00 C ATOM 0 H ILE A 149 60.963 -3.231 5.194 1.00 0.00 H new ATOM 0 HA ILE A 149 63.379 -1.491 5.128 1.00 0.00 H new ATOM 0 HB ILE A 149 60.462 -1.472 4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.613 -0.898 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.851 -2.440 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.905 0.736 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 149 61.055 0.822 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 149 62.516 0.769 3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.446 -2.710 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.513 -3.106 2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.273 -1.541 1.697 1.00 0.00 H new ATOM 953 N ASP A 150 63.004 -0.140 7.139 1.00 0.00 N ATOM 954 CA ASP A 150 62.767 0.717 8.335 1.00 0.00 C ATOM 955 C ASP A 150 62.645 2.182 7.911 1.00 0.00 C ATOM 956 O ASP A 150 62.706 2.506 6.741 1.00 0.00 O ATOM 957 CB ASP A 150 63.998 0.515 9.220 1.00 0.00 C ATOM 958 CG ASP A 150 65.258 0.884 8.435 1.00 0.00 C ATOM 959 OD1 ASP A 150 65.347 2.018 7.994 1.00 0.00 O ATOM 960 OD2 ASP A 150 66.113 0.026 8.290 1.00 0.00 O ATOM 0 H ASP A 150 63.979 -0.227 6.854 1.00 0.00 H new ATOM 0 HA ASP A 150 61.846 0.456 8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 150 63.921 1.132 10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 150 64.054 -0.522 9.552 1.00 0.00 H new ATOM 965 N PHE A 151 62.473 3.073 8.848 1.00 0.00 N ATOM 966 CA PHE A 151 62.349 4.514 8.487 1.00 0.00 C ATOM 967 C PHE A 151 63.547 4.951 7.641 1.00 0.00 C ATOM 968 O PHE A 151 63.394 5.497 6.567 1.00 0.00 O ATOM 969 CB PHE A 151 62.328 5.263 9.821 1.00 0.00 C ATOM 970 CG PHE A 151 61.087 6.120 9.891 1.00 0.00 C ATOM 971 CD1 PHE A 151 60.696 6.877 8.781 1.00 0.00 C ATOM 972 CD2 PHE A 151 60.326 6.156 11.066 1.00 0.00 C ATOM 973 CE1 PHE A 151 59.544 7.669 8.844 1.00 0.00 C ATOM 974 CE2 PHE A 151 59.173 6.949 11.130 1.00 0.00 C ATOM 975 CZ PHE A 151 58.783 7.706 10.018 1.00 0.00 C ATOM 0 H PHE A 151 62.413 2.867 9.845 1.00 0.00 H new ATOM 0 HA PHE A 151 61.454 4.715 7.898 1.00 0.00 H new ATOM 0 HB2 PHE A 151 62.342 4.555 10.649 1.00 0.00 H new ATOM 0 HB3 PHE A 151 63.219 5.884 9.917 1.00 0.00 H new ATOM 0 HD1 PHE A 151 61.284 6.850 7.875 1.00 0.00 H new ATOM 0 HD2 PHE A 151 60.628 5.572 11.923 1.00 0.00 H new ATOM 0 HE1 PHE A 151 59.242 8.252 7.986 1.00 0.00 H new ATOM 0 HE2 PHE A 151 58.585 6.977 12.036 1.00 0.00 H new ATOM 0 HZ PHE A 151 57.895 8.318 10.066 1.00 0.00 H new ATOM 985 N ASP A 152 64.740 4.711 8.113 1.00 0.00 N ATOM 986 CA ASP A 152 65.944 5.112 7.329 1.00 0.00 C ATOM 987 C ASP A 152 65.834 4.590 5.895 1.00 0.00 C ATOM 988 O ASP A 152 65.813 5.349 4.947 1.00 0.00 O ATOM 989 CB ASP A 152 67.124 4.457 8.048 1.00 0.00 C ATOM 990 CG ASP A 152 67.937 5.529 8.775 1.00 0.00 C ATOM 991 OD1 ASP A 152 68.173 6.569 8.182 1.00 0.00 O ATOM 992 OD2 ASP A 152 68.310 5.293 9.913 1.00 0.00 O ATOM 0 H ASP A 152 64.933 4.256 9.005 1.00 0.00 H new ATOM 0 HA ASP A 152 66.056 6.195 7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.763 3.714 8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.754 3.931 7.331 1.00 0.00 H new ATOM 997 N GLU A 153 65.764 3.298 5.730 1.00 0.00 N ATOM 998 CA GLU A 153 65.654 2.724 4.359 1.00 0.00 C ATOM 999 C GLU A 153 64.396 3.251 3.664 1.00 0.00 C ATOM 1000 O GLU A 153 64.427 3.635 2.512 1.00 0.00 O ATOM 1001 CB GLU A 153 65.558 1.213 4.572 1.00 0.00 C ATOM 1002 CG GLU A 153 66.835 0.714 5.250 1.00 0.00 C ATOM 1003 CD GLU A 153 66.636 -0.730 5.712 1.00 0.00 C ATOM 1004 OE1 GLU A 153 65.536 -1.234 5.557 1.00 0.00 O ATOM 1005 OE2 GLU A 153 67.587 -1.308 6.212 1.00 0.00 O ATOM 0 H GLU A 153 65.778 2.614 6.486 1.00 0.00 H new ATOM 0 HA GLU A 153 66.500 2.994 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.690 0.976 5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.419 0.708 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.674 0.773 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 153 67.079 1.349 6.101 1.00 0.00 H new ATOM 1012 N PHE A 154 63.288 3.271 4.353 1.00 0.00 N ATOM 1013 CA PHE A 154 62.031 3.773 3.729 1.00 0.00 C ATOM 1014 C PHE A 154 62.296 5.087 2.989 1.00 0.00 C ATOM 1015 O PHE A 154 62.216 5.155 1.779 1.00 0.00 O ATOM 1016 CB PHE A 154 61.068 3.999 4.895 1.00 0.00 C ATOM 1017 CG PHE A 154 59.667 4.183 4.361 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.152 3.282 3.421 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.884 5.255 4.805 1.00 0.00 C ATOM 1020 CE1 PHE A 154 57.854 3.453 2.926 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.586 5.427 4.309 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.070 4.525 3.370 1.00 0.00 C ATOM 0 H PHE A 154 63.199 2.962 5.321 1.00 0.00 H new ATOM 0 HA PHE A 154 61.626 3.073 2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 154 61.100 3.150 5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 154 61.370 4.878 5.465 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.756 2.455 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 154 59.281 5.950 5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 154 57.457 2.758 2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 154 56.983 6.255 4.650 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.068 4.656 2.989 1.00 0.00 H new ATOM 1032 N LEU A 155 62.613 6.131 3.706 1.00 0.00 N ATOM 1033 CA LEU A 155 62.883 7.435 3.038 1.00 0.00 C ATOM 1034 C LEU A 155 63.773 7.224 1.811 1.00 0.00 C ATOM 1035 O LEU A 155 63.423 7.590 0.705 1.00 0.00 O ATOM 1036 CB LEU A 155 63.616 8.275 4.087 1.00 0.00 C ATOM 1037 CG LEU A 155 62.698 8.518 5.285 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.543 8.670 6.551 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.890 9.796 5.056 1.00 0.00 C ATOM 0 H LEU A 155 62.696 6.137 4.723 1.00 0.00 H new ATOM 0 HA LEU A 155 61.969 7.918 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.522 7.762 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 155 63.925 9.227 3.654 1.00 0.00 H new ATOM 0 HG LEU A 155 62.018 7.674 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 155 62.890 8.843 7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.121 7.760 6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.222 9.515 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 155 61.235 9.970 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.570 10.641 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.289 9.689 4.153 1.00 0.00 H new ATOM 1051 N LYS A 156 64.924 6.638 1.998 1.00 0.00 N ATOM 1052 CA LYS A 156 65.841 6.406 0.845 1.00 0.00 C ATOM 1053 C LYS A 156 65.142 5.583 -0.242 1.00 0.00 C ATOM 1054 O LYS A 156 65.334 5.809 -1.420 1.00 0.00 O ATOM 1055 CB LYS A 156 67.023 5.632 1.429 1.00 0.00 C ATOM 1056 CG LYS A 156 68.318 6.397 1.149 1.00 0.00 C ATOM 1057 CD LYS A 156 69.482 5.715 1.870 1.00 0.00 C ATOM 1058 CE LYS A 156 69.948 6.596 3.031 1.00 0.00 C ATOM 1059 NZ LYS A 156 69.265 6.046 4.236 1.00 0.00 N ATOM 0 H LYS A 156 65.270 6.310 2.900 1.00 0.00 H new ATOM 0 HA LYS A 156 66.154 7.339 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 156 66.891 5.500 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 156 67.073 4.636 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 156 68.509 6.428 0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 156 68.223 7.429 1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 156 69.172 4.739 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 156 70.305 5.545 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 156 71.032 6.561 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 156 69.678 7.639 2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 69.537 6.601 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 68.235 6.099 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 69.546 5.054 4.372 1.00 0.00 H new ATOM 1073 N MET A 157 64.335 4.631 0.140 1.00 0.00 N ATOM 1074 CA MET A 157 63.634 3.804 -0.885 1.00 0.00 C ATOM 1075 C MET A 157 62.862 4.717 -1.845 1.00 0.00 C ATOM 1076 O MET A 157 62.966 4.598 -3.050 1.00 0.00 O ATOM 1077 CB MET A 157 62.699 2.879 -0.077 1.00 0.00 C ATOM 1078 CG MET A 157 61.230 3.297 -0.233 1.00 0.00 C ATOM 1079 SD MET A 157 60.161 2.028 0.490 1.00 0.00 S ATOM 1080 CE MET A 157 60.463 0.742 -0.748 1.00 0.00 C ATOM 0 H MET A 157 64.131 4.391 1.110 1.00 0.00 H new ATOM 0 HA MET A 157 64.313 3.219 -1.506 1.00 0.00 H new ATOM 0 HB2 MET A 157 62.824 1.849 -0.412 1.00 0.00 H new ATOM 0 HB3 MET A 157 62.977 2.907 0.976 1.00 0.00 H new ATOM 0 HG2 MET A 157 61.059 4.255 0.259 1.00 0.00 H new ATOM 0 HG3 MET A 157 60.989 3.433 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 157 59.580 0.110 -0.839 1.00 0.00 H new ATOM 0 HE2 MET A 157 60.677 1.207 -1.710 1.00 0.00 H new ATOM 0 HE3 MET A 157 61.314 0.134 -0.441 1.00 0.00 H new ATOM 1090 N MET A 158 62.093 5.628 -1.317 1.00 0.00 N ATOM 1091 CA MET A 158 61.318 6.551 -2.195 1.00 0.00 C ATOM 1092 C MET A 158 62.275 7.418 -3.017 1.00 0.00 C ATOM 1093 O MET A 158 61.897 8.009 -4.008 1.00 0.00 O ATOM 1094 CB MET A 158 60.496 7.414 -1.238 1.00 0.00 C ATOM 1095 CG MET A 158 59.028 6.990 -1.302 1.00 0.00 C ATOM 1096 SD MET A 158 58.652 5.905 0.097 1.00 0.00 S ATOM 1097 CE MET A 158 57.067 6.654 0.546 1.00 0.00 C ATOM 0 H MET A 158 61.967 5.774 -0.315 1.00 0.00 H new ATOM 0 HA MET A 158 60.684 6.017 -2.903 1.00 0.00 H new ATOM 0 HB2 MET A 158 60.872 7.307 -0.221 1.00 0.00 H new ATOM 0 HB3 MET A 158 60.594 8.466 -1.505 1.00 0.00 H new ATOM 0 HG2 MET A 158 58.383 7.869 -1.278 1.00 0.00 H new ATOM 0 HG3 MET A 158 58.828 6.473 -2.241 1.00 0.00 H new ATOM 0 HE1 MET A 158 56.393 5.883 0.919 1.00 0.00 H new ATOM 0 HE2 MET A 158 57.225 7.404 1.321 1.00 0.00 H new ATOM 0 HE3 MET A 158 56.626 7.127 -0.332 1.00 0.00 H new