USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 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: C 98 SER OG : rot 115:sc= 2.19 USER MOD Set 1.2: C 150 TYR OH : rot 5:sc= -0.244 USER MOD Set 2.1: C 106 LYS NZ :NH3+ -172:sc= 0.471 (180deg=-0.482) USER MOD Set 2.2: C 107 ASN : amide:sc= 0.952 K(o=1.4,f=-15!) USER MOD Single : C 103 MET CE :methyl -153:sc= -0.0622 (180deg=-0.262) USER MOD Single : C 111 TYR OH : rot 180:sc= 0 USER MOD Single : C 118 LYS NZ :NH3+ 149:sc= 0.308 (180deg=-0.925!) USER MOD Single : C 120 MET CE :methyl 166:sc= -1.49 (180deg=-2.38!) USER MOD Single : C 122 GLN : amide:sc= -1.15 K(o=-1.1,f=-5.8!) USER MOD Single : C 124 THR OG1 : rot 103:sc= 1.21 USER MOD Single : C 127 THR OG1 : rot 180:sc= 0 USER MOD Single : C 129 THR OG1 : rot 100:sc= 1.32 USER MOD Single : C 137 MET CE :methyl 157:sc= -4.63 (180deg=-5.19!) USER MOD Single : C 138 LYS NZ :NH3+ -122:sc= 0.345 (180deg=-2.58) USER MOD Single : C 142 LYS NZ :NH3+ 148:sc= 0.0255! (180deg=-0.258!) USER MOD Single : C 143 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.067) USER MOD Single : C 144 ASN : amide:sc= 0.249 K(o=0.25,f=-1) USER MOD Single : C 157 MET CE :methyl -141:sc= -2.58! (180deg=-9.01!) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 8.298 -3.683 -7.845 1.00 0.00 N ATOM 61 CA GLU C 94 7.890 -3.601 -9.298 1.00 0.00 C ATOM 62 C GLU C 94 7.430 -2.150 -9.596 1.00 0.00 C ATOM 63 O GLU C 94 7.814 -1.555 -10.594 1.00 0.00 O ATOM 64 CB GLU C 94 6.661 -4.556 -9.429 1.00 0.00 C ATOM 65 CG GLU C 94 6.958 -5.949 -8.814 1.00 0.00 C ATOM 66 CD GLU C 94 6.311 -6.023 -7.428 1.00 0.00 C ATOM 67 OE1 GLU C 94 6.960 -5.637 -6.469 1.00 0.00 O ATOM 68 OE2 GLU C 94 5.170 -6.395 -7.352 1.00 0.00 O1- ATOM 0 HA GLU C 94 8.698 -3.869 -9.979 1.00 0.00 H new ATOM 0 HB2 GLU C 94 5.799 -4.113 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU C 94 6.397 -4.670 -10.480 1.00 0.00 H new ATOM 0 HG2 GLU C 94 6.565 -6.737 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU C 94 8.034 -6.106 -8.737 1.00 0.00 H new ATOM 75 N GLU C 95 6.687 -1.549 -8.684 1.00 0.00 N ATOM 76 CA GLU C 95 6.265 -0.107 -8.839 1.00 0.00 C ATOM 77 C GLU C 95 7.537 0.765 -8.907 1.00 0.00 C ATOM 78 O GLU C 95 7.649 1.677 -9.727 1.00 0.00 O ATOM 79 CB GLU C 95 5.524 0.186 -7.504 1.00 0.00 C ATOM 80 CG GLU C 95 4.974 1.610 -7.444 1.00 0.00 C ATOM 81 CD GLU C 95 4.606 1.906 -6.002 1.00 0.00 C ATOM 82 OE1 GLU C 95 5.502 1.931 -5.165 1.00 0.00 O1- ATOM 83 OE2 GLU C 95 3.460 2.101 -5.737 1.00 0.00 O ATOM 0 H GLU C 95 6.352 -1.999 -7.832 1.00 0.00 H new ATOM 0 HA GLU C 95 5.660 0.087 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU C 95 4.705 -0.523 -7.383 1.00 0.00 H new ATOM 0 HB3 GLU C 95 6.208 0.028 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU C 95 5.718 2.322 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU C 95 4.101 1.710 -8.089 1.00 0.00 H new ATOM 90 N GLU C 96 8.472 0.502 -8.028 1.00 0.00 N ATOM 91 CA GLU C 96 9.725 1.325 -7.947 1.00 0.00 C ATOM 92 C GLU C 96 10.625 1.114 -9.178 1.00 0.00 C ATOM 93 O GLU C 96 11.098 2.077 -9.767 1.00 0.00 O ATOM 94 CB GLU C 96 10.411 0.801 -6.676 1.00 0.00 C ATOM 95 CG GLU C 96 9.524 1.121 -5.447 1.00 0.00 C ATOM 96 CD GLU C 96 10.108 0.543 -4.165 1.00 0.00 C ATOM 97 OE1 GLU C 96 10.979 -0.299 -4.232 1.00 0.00 O ATOM 98 OE2 GLU C 96 9.644 0.930 -3.128 1.00 0.00 O1- ATOM 0 H GLU C 96 8.422 -0.260 -7.351 1.00 0.00 H new ATOM 0 HA GLU C 96 9.520 2.395 -7.920 1.00 0.00 H new ATOM 0 HB2 GLU C 96 10.572 -0.274 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU C 96 11.392 1.263 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU C 96 9.420 2.201 -5.345 1.00 0.00 H new ATOM 0 HG3 GLU C 96 8.524 0.718 -5.605 1.00 0.00 H new ATOM 105 N LEU C 97 10.859 -0.124 -9.605 1.00 0.00 N ATOM 106 CA LEU C 97 11.748 -0.303 -10.820 1.00 0.00 C ATOM 107 C LEU C 97 11.074 0.283 -12.061 1.00 0.00 C ATOM 108 O LEU C 97 11.727 0.899 -12.895 1.00 0.00 O ATOM 109 CB LEU C 97 12.067 -1.822 -11.006 1.00 0.00 C ATOM 110 CG LEU C 97 10.803 -2.703 -10.996 1.00 0.00 C ATOM 111 CD1 LEU C 97 10.366 -2.989 -12.425 1.00 0.00 C ATOM 112 CD2 LEU C 97 11.125 -4.035 -10.318 1.00 0.00 C ATOM 0 H LEU C 97 10.492 -0.979 -9.187 1.00 0.00 H new ATOM 0 HA LEU C 97 12.686 0.233 -10.673 1.00 0.00 H new ATOM 0 HB2 LEU C 97 12.596 -1.965 -11.948 1.00 0.00 H new ATOM 0 HB3 LEU C 97 12.738 -2.148 -10.211 1.00 0.00 H new ATOM 0 HG LEU C 97 10.009 -2.183 -10.460 1.00 0.00 H new ATOM 0 HD11 LEU C 97 9.472 -3.612 -12.414 1.00 0.00 H new ATOM 0 HD12 LEU C 97 10.148 -2.050 -12.934 1.00 0.00 H new ATOM 0 HD13 LEU C 97 11.165 -3.510 -12.952 1.00 0.00 H new ATOM 0 HD21 LEU C 97 10.234 -4.663 -10.308 1.00 0.00 H new ATOM 0 HD22 LEU C 97 11.919 -4.541 -10.868 1.00 0.00 H new ATOM 0 HD23 LEU C 97 11.452 -3.853 -9.294 1.00 0.00 H new ATOM 124 N SER C 98 9.774 0.127 -12.183 1.00 0.00 N ATOM 125 CA SER C 98 9.055 0.720 -13.364 1.00 0.00 C ATOM 126 C SER C 98 9.206 2.242 -13.357 1.00 0.00 C ATOM 127 O SER C 98 9.460 2.852 -14.401 1.00 0.00 O ATOM 128 CB SER C 98 7.582 0.318 -13.185 1.00 0.00 C ATOM 129 OG SER C 98 7.500 -1.109 -13.004 1.00 0.00 O ATOM 0 H SER C 98 9.183 -0.380 -11.524 1.00 0.00 H new ATOM 0 HA SER C 98 9.455 0.364 -14.314 1.00 0.00 H new ATOM 0 HB2 SER C 98 7.154 0.831 -12.324 1.00 0.00 H new ATOM 0 HB3 SER C 98 7.001 0.620 -14.057 1.00 0.00 H new ATOM 0 HG SER C 98 7.162 -1.306 -12.105 1.00 0.00 H new ATOM 135 N ASP C 99 9.108 2.865 -12.189 1.00 0.00 N ATOM 136 CA ASP C 99 9.280 4.353 -12.128 1.00 0.00 C ATOM 137 C ASP C 99 10.688 4.723 -12.587 1.00 0.00 C ATOM 138 O ASP C 99 10.869 5.588 -13.443 1.00 0.00 O ATOM 139 CB ASP C 99 9.120 4.735 -10.651 1.00 0.00 C ATOM 140 CG ASP C 99 8.617 6.151 -10.573 1.00 0.00 C ATOM 141 OD1 ASP C 99 9.382 7.051 -10.833 1.00 0.00 O1- ATOM 142 OD2 ASP C 99 7.444 6.322 -10.331 1.00 0.00 O ATOM 0 H ASP C 99 8.920 2.409 -11.296 1.00 0.00 H new ATOM 0 HA ASP C 99 8.559 4.866 -12.765 1.00 0.00 H new ATOM 0 HB2 ASP C 99 8.422 4.058 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP C 99 10.074 4.643 -10.131 1.00 0.00 H new ATOM 147 N LEU C 100 11.690 4.030 -12.062 1.00 0.00 N ATOM 148 CA LEU C 100 13.110 4.299 -12.486 1.00 0.00 C ATOM 149 C LEU C 100 13.277 4.026 -13.982 1.00 0.00 C ATOM 150 O LEU C 100 13.924 4.781 -14.682 1.00 0.00 O ATOM 151 CB LEU C 100 13.998 3.327 -11.676 1.00 0.00 C ATOM 152 CG LEU C 100 13.903 3.617 -10.159 1.00 0.00 C ATOM 153 CD1 LEU C 100 14.842 2.678 -9.402 1.00 0.00 C ATOM 154 CD2 LEU C 100 14.326 5.063 -9.875 1.00 0.00 C ATOM 0 H LEU C 100 11.581 3.295 -11.363 1.00 0.00 H new ATOM 0 HA LEU C 100 13.383 5.338 -12.304 1.00 0.00 H new ATOM 0 HB2 LEU C 100 13.691 2.300 -11.873 1.00 0.00 H new ATOM 0 HB3 LEU C 100 15.034 3.418 -12.003 1.00 0.00 H new ATOM 0 HG LEU C 100 12.874 3.464 -9.835 1.00 0.00 H new ATOM 0 HD11 LEU C 100 14.776 2.881 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU C 100 14.554 1.644 -9.593 1.00 0.00 H new ATOM 0 HD13 LEU C 100 15.866 2.838 -9.739 1.00 0.00 H new ATOM 0 HD21 LEU C 100 14.256 5.259 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU C 100 15.354 5.213 -10.205 1.00 0.00 H new ATOM 0 HD23 LEU C 100 13.669 5.747 -10.413 1.00 0.00 H new ATOM 166 N PHE C 101 12.683 2.967 -14.484 1.00 0.00 N ATOM 167 CA PHE C 101 12.794 2.683 -15.953 1.00 0.00 C ATOM 168 C PHE C 101 12.129 3.830 -16.734 1.00 0.00 C ATOM 169 O PHE C 101 12.690 4.347 -17.676 1.00 0.00 O ATOM 170 CB PHE C 101 12.024 1.362 -16.167 1.00 0.00 C ATOM 171 CG PHE C 101 12.217 0.861 -17.588 1.00 0.00 C ATOM 172 CD1 PHE C 101 13.340 0.086 -17.912 1.00 0.00 C ATOM 173 CD2 PHE C 101 11.270 1.161 -18.576 1.00 0.00 C ATOM 174 CE1 PHE C 101 13.513 -0.379 -19.221 1.00 0.00 C ATOM 175 CE2 PHE C 101 11.448 0.697 -19.883 1.00 0.00 C ATOM 176 CZ PHE C 101 12.566 -0.076 -20.204 1.00 0.00 C ATOM 0 H PHE C 101 12.133 2.295 -13.949 1.00 0.00 H new ATOM 0 HA PHE C 101 13.826 2.602 -16.295 1.00 0.00 H new ATOM 0 HB2 PHE C 101 12.374 0.611 -15.459 1.00 0.00 H new ATOM 0 HB3 PHE C 101 10.963 1.516 -15.970 1.00 0.00 H new ATOM 0 HD1 PHE C 101 14.070 -0.152 -17.153 1.00 0.00 H new ATOM 0 HD2 PHE C 101 10.401 1.752 -18.328 1.00 0.00 H new ATOM 0 HE1 PHE C 101 14.379 -0.973 -19.472 1.00 0.00 H new ATOM 0 HE2 PHE C 101 10.721 0.936 -20.645 1.00 0.00 H new ATOM 0 HZ PHE C 101 12.699 -0.440 -21.212 1.00 0.00 H new ATOM 186 N ARG C 102 10.928 4.231 -16.332 1.00 0.00 N ATOM 187 CA ARG C 102 10.211 5.341 -17.064 1.00 0.00 C ATOM 188 C ARG C 102 11.039 6.639 -17.022 1.00 0.00 C ATOM 189 O ARG C 102 11.164 7.317 -18.016 1.00 0.00 O ATOM 190 CB ARG C 102 8.910 5.553 -16.283 1.00 0.00 C ATOM 191 CG ARG C 102 7.963 6.492 -17.065 1.00 0.00 C ATOM 192 CD ARG C 102 7.169 7.408 -16.095 1.00 0.00 C ATOM 193 NE ARG C 102 6.706 6.513 -14.973 1.00 0.00 N ATOM 194 CZ ARG C 102 7.045 6.776 -13.710 1.00 0.00 C ATOM 195 NH1 ARG C 102 8.231 7.304 -13.443 1.00 0.00 N ATOM 196 NH2 ARG C 102 6.204 6.514 -12.738 1.00 0.00 N1+ ATOM 0 H ARG C 102 10.422 3.840 -15.537 1.00 0.00 H new ATOM 0 HA ARG C 102 10.044 5.089 -18.111 1.00 0.00 H new ATOM 0 HB2 ARG C 102 8.421 4.594 -16.110 1.00 0.00 H new ATOM 0 HB3 ARG C 102 9.130 5.980 -15.305 1.00 0.00 H new ATOM 0 HG2 ARG C 102 8.541 7.103 -17.758 1.00 0.00 H new ATOM 0 HG3 ARG C 102 7.270 5.901 -17.663 1.00 0.00 H new ATOM 0 HD2 ARG C 102 7.796 8.216 -15.718 1.00 0.00 H new ATOM 0 HD3 ARG C 102 6.322 7.872 -16.600 1.00 0.00 H new ATOM 0 HE ARG C 102 6.128 5.699 -15.182 1.00 0.00 H new ATOM 0 HH11 ARG C 102 8.881 7.508 -14.202 1.00 0.00 H new ATOM 0 HH12 ARG C 102 8.494 7.506 -12.478 1.00 0.00 H new ATOM 0 HH21 ARG C 102 5.292 6.109 -12.948 1.00 0.00 H new ATOM 0 HH22 ARG C 102 6.463 6.715 -11.772 1.00 0.00 H new ATOM 210 N MET C 103 11.581 7.004 -15.867 1.00 0.00 N ATOM 211 CA MET C 103 12.388 8.287 -15.803 1.00 0.00 C ATOM 212 C MET C 103 13.698 8.152 -16.603 1.00 0.00 C ATOM 213 O MET C 103 14.241 9.135 -17.071 1.00 0.00 O ATOM 214 CB MET C 103 12.649 8.618 -14.311 1.00 0.00 C ATOM 215 CG MET C 103 13.375 7.472 -13.596 1.00 0.00 C ATOM 216 SD MET C 103 14.543 8.162 -12.401 1.00 0.00 S ATOM 217 CE MET C 103 15.821 8.635 -13.598 1.00 0.00 C ATOM 0 H MET C 103 11.504 6.487 -14.991 1.00 0.00 H new ATOM 0 HA MET C 103 11.834 9.107 -16.260 1.00 0.00 H new ATOM 0 HB2 MET C 103 13.245 9.528 -14.239 1.00 0.00 H new ATOM 0 HB3 MET C 103 11.701 8.817 -13.811 1.00 0.00 H new ATOM 0 HG2 MET C 103 12.655 6.829 -13.089 1.00 0.00 H new ATOM 0 HG3 MET C 103 13.902 6.851 -14.321 1.00 0.00 H new ATOM 0 HE1 MET C 103 16.795 8.634 -13.109 1.00 0.00 H new ATOM 0 HE2 MET C 103 15.828 7.923 -14.423 1.00 0.00 H new ATOM 0 HE3 MET C 103 15.609 9.633 -13.982 1.00 0.00 H new ATOM 227 N PHE C 104 14.235 6.954 -16.705 1.00 0.00 N ATOM 228 CA PHE C 104 15.520 6.746 -17.460 1.00 0.00 C ATOM 229 C PHE C 104 15.325 6.988 -18.958 1.00 0.00 C ATOM 230 O PHE C 104 16.266 7.375 -19.653 1.00 0.00 O ATOM 231 CB PHE C 104 15.929 5.284 -17.212 1.00 0.00 C ATOM 232 CG PHE C 104 17.257 5.260 -16.504 1.00 0.00 C ATOM 233 CD1 PHE C 104 18.430 5.511 -17.221 1.00 0.00 C ATOM 234 CD2 PHE C 104 17.321 4.993 -15.131 1.00 0.00 C ATOM 235 CE1 PHE C 104 19.662 5.497 -16.573 1.00 0.00 C ATOM 236 CE2 PHE C 104 18.559 4.979 -14.480 1.00 0.00 C ATOM 237 CZ PHE C 104 19.733 5.230 -15.202 1.00 0.00 C ATOM 0 H PHE C 104 13.837 6.108 -16.296 1.00 0.00 H new ATOM 0 HA PHE C 104 16.285 7.445 -17.122 1.00 0.00 H new ATOM 0 HB2 PHE C 104 15.173 4.778 -16.611 1.00 0.00 H new ATOM 0 HB3 PHE C 104 15.997 4.746 -18.158 1.00 0.00 H new ATOM 0 HD1 PHE C 104 18.381 5.716 -18.280 1.00 0.00 H new ATOM 0 HD2 PHE C 104 16.416 4.798 -14.575 1.00 0.00 H new ATOM 0 HE1 PHE C 104 20.566 5.693 -17.131 1.00 0.00 H new ATOM 0 HE2 PHE C 104 18.610 4.775 -13.421 1.00 0.00 H new ATOM 0 HZ PHE C 104 20.690 5.217 -14.701 1.00 0.00 H new ATOM 247 N ASP C 105 14.152 6.701 -19.494 1.00 0.00 N ATOM 248 CA ASP C 105 13.971 6.872 -20.970 1.00 0.00 C ATOM 249 C ASP C 105 13.837 8.365 -21.287 1.00 0.00 C ATOM 250 O ASP C 105 12.750 8.929 -21.279 1.00 0.00 O ATOM 251 CB ASP C 105 12.695 6.098 -21.346 1.00 0.00 C ATOM 252 CG ASP C 105 12.921 5.486 -22.677 1.00 0.00 C ATOM 253 OD1 ASP C 105 13.549 4.486 -22.746 1.00 0.00 O ATOM 254 OD2 ASP C 105 12.553 6.032 -23.640 1.00 0.00 O1- ATOM 0 H ASP C 105 13.336 6.365 -18.983 1.00 0.00 H new ATOM 0 HA ASP C 105 14.819 6.491 -21.540 1.00 0.00 H new ATOM 0 HB2 ASP C 105 12.479 5.330 -20.603 1.00 0.00 H new ATOM 0 HB3 ASP C 105 11.835 6.767 -21.373 1.00 0.00 H new ATOM 259 N LYS C 106 14.955 9.022 -21.506 1.00 0.00 N ATOM 260 CA LYS C 106 14.968 10.525 -21.717 1.00 0.00 C ATOM 261 C LYS C 106 14.027 10.965 -22.859 1.00 0.00 C ATOM 262 O LYS C 106 13.537 12.088 -22.864 1.00 0.00 O ATOM 263 CB LYS C 106 16.443 10.894 -22.058 1.00 0.00 C ATOM 264 CG LYS C 106 16.839 10.396 -23.474 1.00 0.00 C ATOM 265 CD LYS C 106 18.332 10.684 -23.726 1.00 0.00 C ATOM 266 CE LYS C 106 18.656 10.665 -25.246 1.00 0.00 C ATOM 267 NZ LYS C 106 18.238 9.329 -25.754 1.00 0.00 N1+ ATOM 0 H LYS C 106 15.874 8.583 -21.550 1.00 0.00 H new ATOM 0 HA LYS C 106 14.610 11.036 -20.823 1.00 0.00 H new ATOM 0 HB2 LYS C 106 16.571 11.975 -22.002 1.00 0.00 H new ATOM 0 HB3 LYS C 106 17.110 10.455 -21.316 1.00 0.00 H new ATOM 0 HG2 LYS C 106 16.645 9.327 -23.562 1.00 0.00 H new ATOM 0 HG3 LYS C 106 16.230 10.894 -24.229 1.00 0.00 H new ATOM 0 HD2 LYS C 106 18.594 11.656 -23.307 1.00 0.00 H new ATOM 0 HD3 LYS C 106 18.941 9.941 -23.212 1.00 0.00 H new ATOM 0 HE2 LYS C 106 18.123 11.461 -25.766 1.00 0.00 H new ATOM 0 HE3 LYS C 106 19.720 10.829 -25.417 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 18.558 9.216 -26.737 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 18.663 8.585 -25.164 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 17.202 9.252 -25.716 1.00 0.00 H new ATOM 281 N ASN C 107 13.819 10.131 -23.847 1.00 0.00 N ATOM 282 CA ASN C 107 12.938 10.529 -25.003 1.00 0.00 C ATOM 283 C ASN C 107 11.678 9.649 -25.085 1.00 0.00 C ATOM 284 O ASN C 107 11.074 9.533 -26.137 1.00 0.00 O ATOM 285 CB ASN C 107 13.812 10.441 -26.288 1.00 0.00 C ATOM 286 CG ASN C 107 14.515 9.087 -26.381 1.00 0.00 C ATOM 287 OD1 ASN C 107 15.718 8.991 -26.105 1.00 0.00 O ATOM 288 ND2 ASN C 107 13.851 8.050 -26.741 1.00 0.00 N ATOM 0 H ASN C 107 14.217 9.194 -23.909 1.00 0.00 H new ATOM 0 HA ASN C 107 12.565 11.545 -24.876 1.00 0.00 H new ATOM 0 HB2 ASN C 107 13.187 10.591 -27.168 1.00 0.00 H new ATOM 0 HB3 ASN C 107 14.553 11.240 -26.283 1.00 0.00 H new ATOM 0 HD21 ASN C 107 14.314 7.143 -26.800 1.00 0.00 H new ATOM 0 HD22 ASN C 107 12.860 8.132 -26.968 1.00 0.00 H new ATOM 295 N ALA C 108 11.239 9.091 -23.958 1.00 0.00 N ATOM 296 CA ALA C 108 9.951 8.273 -23.875 1.00 0.00 C ATOM 297 C ALA C 108 9.774 7.249 -25.033 1.00 0.00 C ATOM 298 O ALA C 108 8.647 6.846 -25.331 1.00 0.00 O ATOM 299 CB ALA C 108 8.813 9.307 -23.908 1.00 0.00 C ATOM 0 H ALA C 108 11.732 9.170 -23.068 1.00 0.00 H new ATOM 0 HA ALA C 108 9.963 7.666 -22.970 1.00 0.00 H new ATOM 0 HB1 ALA C 108 7.853 8.794 -23.852 1.00 0.00 H new ATOM 0 HB2 ALA C 108 8.912 9.984 -23.060 1.00 0.00 H new ATOM 0 HB3 ALA C 108 8.866 9.877 -24.836 1.00 0.00 H new ATOM 305 N ASP C 109 10.847 6.719 -25.586 1.00 0.00 N ATOM 306 CA ASP C 109 10.701 5.613 -26.605 1.00 0.00 C ATOM 307 C ASP C 109 10.103 4.346 -25.923 1.00 0.00 C ATOM 308 O ASP C 109 9.399 3.578 -26.551 1.00 0.00 O ATOM 309 CB ASP C 109 12.117 5.356 -27.265 1.00 0.00 C ATOM 310 CG ASP C 109 13.155 4.876 -26.274 1.00 0.00 C ATOM 311 OD1 ASP C 109 12.917 4.027 -25.562 1.00 0.00 O1- ATOM 312 OD2 ASP C 109 14.197 5.393 -26.214 1.00 0.00 O ATOM 0 H ASP C 109 11.807 6.998 -25.381 1.00 0.00 H new ATOM 0 HA ASP C 109 10.008 5.891 -27.399 1.00 0.00 H new ATOM 0 HB2 ASP C 109 12.012 4.617 -28.059 1.00 0.00 H new ATOM 0 HB3 ASP C 109 12.467 6.277 -27.731 1.00 0.00 H new ATOM 317 N GLY C 110 10.349 4.155 -24.632 1.00 0.00 N ATOM 318 CA GLY C 110 9.778 2.970 -23.883 1.00 0.00 C ATOM 319 C GLY C 110 10.843 1.865 -23.651 1.00 0.00 C ATOM 320 O GLY C 110 10.612 0.938 -22.895 1.00 0.00 O ATOM 0 H GLY C 110 10.925 4.776 -24.064 1.00 0.00 H new ATOM 0 HA2 GLY C 110 9.385 3.303 -22.922 1.00 0.00 H new ATOM 0 HA3 GLY C 110 8.940 2.555 -24.444 1.00 0.00 H new ATOM 324 N TYR C 111 11.993 1.953 -24.279 1.00 0.00 N ATOM 325 CA TYR C 111 13.082 0.919 -24.095 1.00 0.00 C ATOM 326 C TYR C 111 14.386 1.652 -23.758 1.00 0.00 C ATOM 327 O TYR C 111 14.634 2.748 -24.278 1.00 0.00 O ATOM 328 CB TYR C 111 13.230 0.247 -25.477 1.00 0.00 C ATOM 329 CG TYR C 111 11.893 -0.297 -25.945 1.00 0.00 C ATOM 330 CD1 TYR C 111 11.469 -1.563 -25.544 1.00 0.00 C ATOM 331 CD2 TYR C 111 11.070 0.484 -26.775 1.00 0.00 C ATOM 332 CE1 TYR C 111 10.232 -2.047 -25.963 1.00 0.00 C ATOM 333 CE2 TYR C 111 9.833 0.000 -27.188 1.00 0.00 C ATOM 334 CZ TYR C 111 9.413 -1.266 -26.784 1.00 0.00 C ATOM 335 OH TYR C 111 8.187 -1.741 -27.187 1.00 0.00 O ATOM 0 H TYR C 111 12.233 2.707 -24.923 1.00 0.00 H new ATOM 0 HA TYR C 111 12.858 0.201 -23.306 1.00 0.00 H new ATOM 0 HB2 TYR C 111 13.610 0.968 -26.201 1.00 0.00 H new ATOM 0 HB3 TYR C 111 13.959 -0.561 -25.420 1.00 0.00 H new ATOM 0 HD1 TYR C 111 12.099 -2.168 -24.909 1.00 0.00 H new ATOM 0 HD2 TYR C 111 11.399 1.462 -27.093 1.00 0.00 H new ATOM 0 HE1 TYR C 111 9.905 -3.028 -25.653 1.00 0.00 H new ATOM 0 HE2 TYR C 111 9.199 0.604 -27.820 1.00 0.00 H new ATOM 0 HH TYR C 111 7.747 -1.072 -27.752 1.00 0.00 H new ATOM 345 N ILE C 112 15.278 1.057 -23.028 1.00 0.00 N ATOM 346 CA ILE C 112 16.575 1.763 -22.793 1.00 0.00 C ATOM 347 C ILE C 112 17.437 1.496 -24.029 1.00 0.00 C ATOM 348 O ILE C 112 17.625 0.350 -24.449 1.00 0.00 O ATOM 349 CB ILE C 112 17.197 1.135 -21.505 1.00 0.00 C ATOM 350 CG1 ILE C 112 16.180 1.175 -20.336 1.00 0.00 C ATOM 351 CG2 ILE C 112 18.445 1.932 -21.087 1.00 0.00 C ATOM 352 CD1 ILE C 112 15.629 2.600 -20.152 1.00 0.00 C ATOM 0 H ILE C 112 15.179 0.140 -22.592 1.00 0.00 H new ATOM 0 HA ILE C 112 16.478 2.839 -22.649 1.00 0.00 H new ATOM 0 HB ILE C 112 17.463 0.101 -21.725 1.00 0.00 H new ATOM 0 HG12 ILE C 112 15.360 0.484 -20.535 1.00 0.00 H new ATOM 0 HG13 ILE C 112 16.661 0.843 -19.416 1.00 0.00 H new ATOM 0 HG21 ILE C 112 18.875 1.490 -20.188 1.00 0.00 H new ATOM 0 HG22 ILE C 112 19.180 1.906 -21.892 1.00 0.00 H new ATOM 0 HG23 ILE C 112 18.166 2.966 -20.885 1.00 0.00 H new ATOM 0 HD11 ILE C 112 14.916 2.611 -19.327 1.00 0.00 H new ATOM 0 HD12 ILE C 112 16.450 3.282 -19.931 1.00 0.00 H new ATOM 0 HD13 ILE C 112 15.130 2.918 -21.067 1.00 0.00 H new ATOM 364 N ASP C 113 17.828 2.547 -24.689 1.00 0.00 N ATOM 365 CA ASP C 113 18.572 2.429 -25.976 1.00 0.00 C ATOM 366 C ASP C 113 20.030 2.816 -25.793 1.00 0.00 C ATOM 367 O ASP C 113 20.385 3.520 -24.848 1.00 0.00 O ATOM 368 CB ASP C 113 17.879 3.412 -26.942 1.00 0.00 C ATOM 369 CG ASP C 113 18.622 3.420 -28.255 1.00 0.00 C ATOM 370 OD1 ASP C 113 18.681 2.393 -28.880 1.00 0.00 O1- ATOM 371 OD2 ASP C 113 19.160 4.435 -28.602 1.00 0.00 O ATOM 0 H ASP C 113 17.660 3.506 -24.385 1.00 0.00 H new ATOM 0 HA ASP C 113 18.560 1.406 -26.352 1.00 0.00 H new ATOM 0 HB2 ASP C 113 16.842 3.117 -27.099 1.00 0.00 H new ATOM 0 HB3 ASP C 113 17.864 4.414 -26.512 1.00 0.00 H new ATOM 376 N LEU C 114 20.867 2.416 -26.733 1.00 0.00 N ATOM 377 CA LEU C 114 22.323 2.786 -26.687 1.00 0.00 C ATOM 378 C LEU C 114 22.441 4.301 -26.551 1.00 0.00 C ATOM 379 O LEU C 114 23.252 4.794 -25.790 1.00 0.00 O ATOM 380 CB LEU C 114 22.916 2.382 -28.063 1.00 0.00 C ATOM 381 CG LEU C 114 22.814 0.865 -28.282 1.00 0.00 C ATOM 382 CD1 LEU C 114 21.767 0.555 -29.354 1.00 0.00 C ATOM 383 CD2 LEU C 114 24.168 0.321 -28.736 1.00 0.00 C ATOM 0 H LEU C 114 20.599 1.845 -27.534 1.00 0.00 H new ATOM 0 HA LEU C 114 22.834 2.298 -25.857 1.00 0.00 H new ATOM 0 HB2 LEU C 114 22.386 2.904 -28.859 1.00 0.00 H new ATOM 0 HB3 LEU C 114 23.960 2.692 -28.118 1.00 0.00 H new ATOM 0 HG LEU C 114 22.520 0.394 -27.344 1.00 0.00 H new ATOM 0 HD11 LEU C 114 21.704 -0.523 -29.500 1.00 0.00 H new ATOM 0 HD12 LEU C 114 20.796 0.935 -29.035 1.00 0.00 H new ATOM 0 HD13 LEU C 114 22.054 1.032 -30.291 1.00 0.00 H new ATOM 0 HD21 LEU C 114 24.094 -0.755 -28.891 1.00 0.00 H new ATOM 0 HD22 LEU C 114 24.459 0.803 -29.669 1.00 0.00 H new ATOM 0 HD23 LEU C 114 24.918 0.527 -27.972 1.00 0.00 H new ATOM 395 N ASP C 115 21.626 5.053 -27.275 1.00 0.00 N ATOM 396 CA ASP C 115 21.694 6.548 -27.171 1.00 0.00 C ATOM 397 C ASP C 115 21.378 7.004 -25.744 1.00 0.00 C ATOM 398 O ASP C 115 22.063 7.856 -25.199 1.00 0.00 O ATOM 399 CB ASP C 115 20.634 7.083 -28.141 1.00 0.00 C ATOM 400 CG ASP C 115 20.757 8.577 -28.232 1.00 0.00 C ATOM 401 OD1 ASP C 115 21.672 9.021 -28.890 1.00 0.00 O ATOM 402 OD2 ASP C 115 19.956 9.252 -27.638 1.00 0.00 O1- ATOM 0 H ASP C 115 20.926 4.694 -27.925 1.00 0.00 H new ATOM 0 HA ASP C 115 22.690 6.918 -27.414 1.00 0.00 H new ATOM 0 HB2 ASP C 115 20.766 6.635 -29.126 1.00 0.00 H new ATOM 0 HB3 ASP C 115 19.637 6.809 -27.797 1.00 0.00 H new ATOM 407 N GLU C 116 20.371 6.423 -25.125 1.00 0.00 N ATOM 408 CA GLU C 116 20.024 6.806 -23.712 1.00 0.00 C ATOM 409 C GLU C 116 21.147 6.386 -22.754 1.00 0.00 C ATOM 410 O GLU C 116 21.522 7.144 -21.867 1.00 0.00 O ATOM 411 CB GLU C 116 18.700 6.050 -23.402 1.00 0.00 C ATOM 412 CG GLU C 116 17.563 6.640 -24.273 1.00 0.00 C ATOM 413 CD GLU C 116 16.260 5.917 -24.061 1.00 0.00 C ATOM 414 OE1 GLU C 116 16.223 4.748 -24.073 1.00 0.00 O1- ATOM 415 OE2 GLU C 116 15.281 6.529 -23.983 1.00 0.00 O ATOM 0 H GLU C 116 19.776 5.703 -25.535 1.00 0.00 H new ATOM 0 HA GLU C 116 19.906 7.883 -23.589 1.00 0.00 H new ATOM 0 HB2 GLU C 116 18.818 4.986 -23.608 1.00 0.00 H new ATOM 0 HB3 GLU C 116 18.452 6.145 -22.345 1.00 0.00 H new ATOM 0 HG2 GLU C 116 17.435 7.696 -24.036 1.00 0.00 H new ATOM 0 HG3 GLU C 116 17.844 6.581 -25.325 1.00 0.00 H new ATOM 422 N LEU C 117 21.717 5.209 -22.930 1.00 0.00 N ATOM 423 CA LEU C 117 22.809 4.802 -22.005 1.00 0.00 C ATOM 424 C LEU C 117 24.141 5.511 -22.324 1.00 0.00 C ATOM 425 O LEU C 117 24.853 5.908 -21.416 1.00 0.00 O ATOM 426 CB LEU C 117 22.901 3.250 -22.034 1.00 0.00 C ATOM 427 CG LEU C 117 23.512 2.723 -23.339 1.00 0.00 C ATOM 428 CD1 LEU C 117 25.020 2.545 -23.165 1.00 0.00 C ATOM 429 CD2 LEU C 117 22.902 1.361 -23.659 1.00 0.00 C ATOM 0 H LEU C 117 21.475 4.536 -23.657 1.00 0.00 H new ATOM 0 HA LEU C 117 22.582 5.120 -20.987 1.00 0.00 H new ATOM 0 HB2 LEU C 117 23.502 2.909 -21.191 1.00 0.00 H new ATOM 0 HB3 LEU C 117 21.904 2.828 -21.906 1.00 0.00 H new ATOM 0 HG LEU C 117 23.311 3.431 -24.143 1.00 0.00 H new ATOM 0 HD11 LEU C 117 25.452 2.171 -24.093 1.00 0.00 H new ATOM 0 HD12 LEU C 117 25.473 3.504 -22.915 1.00 0.00 H new ATOM 0 HD13 LEU C 117 25.212 1.833 -22.362 1.00 0.00 H new ATOM 0 HD21 LEU C 117 23.331 0.979 -24.585 1.00 0.00 H new ATOM 0 HD22 LEU C 117 23.116 0.667 -22.847 1.00 0.00 H new ATOM 0 HD23 LEU C 117 21.823 1.464 -23.774 1.00 0.00 H new ATOM 441 N LYS C 118 24.496 5.704 -23.592 1.00 0.00 N ATOM 442 CA LYS C 118 25.812 6.397 -23.876 1.00 0.00 C ATOM 443 C LYS C 118 25.798 7.840 -23.356 1.00 0.00 C ATOM 444 O LYS C 118 26.755 8.276 -22.739 1.00 0.00 O ATOM 445 CB LYS C 118 26.090 6.323 -25.408 1.00 0.00 C ATOM 446 CG LYS C 118 24.970 6.987 -26.242 1.00 0.00 C ATOM 447 CD LYS C 118 25.527 8.206 -27.001 1.00 0.00 C ATOM 448 CE LYS C 118 24.377 8.941 -27.727 1.00 0.00 C ATOM 449 NZ LYS C 118 24.097 8.143 -28.968 1.00 0.00 N1+ ATOM 0 H LYS C 118 23.954 5.423 -24.409 1.00 0.00 H new ATOM 0 HA LYS C 118 26.622 5.893 -23.348 1.00 0.00 H new ATOM 0 HB2 LYS C 118 27.040 6.811 -25.626 1.00 0.00 H new ATOM 0 HB3 LYS C 118 26.192 5.280 -25.706 1.00 0.00 H new ATOM 0 HG2 LYS C 118 24.556 6.267 -26.948 1.00 0.00 H new ATOM 0 HG3 LYS C 118 24.155 7.297 -25.589 1.00 0.00 H new ATOM 0 HD2 LYS C 118 26.022 8.884 -26.306 1.00 0.00 H new ATOM 0 HD3 LYS C 118 26.278 7.885 -27.722 1.00 0.00 H new ATOM 0 HE2 LYS C 118 23.492 9.002 -27.094 1.00 0.00 H new ATOM 0 HE3 LYS C 118 24.662 9.963 -27.976 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 23.090 8.224 -29.213 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 24.675 8.507 -29.752 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 24.332 7.144 -28.799 1.00 0.00 H new ATOM 463 N ILE C 119 24.702 8.564 -23.520 1.00 0.00 N ATOM 464 CA ILE C 119 24.639 9.952 -22.940 1.00 0.00 C ATOM 465 C ILE C 119 24.707 9.876 -21.404 1.00 0.00 C ATOM 466 O ILE C 119 25.332 10.717 -20.765 1.00 0.00 O ATOM 467 CB ILE C 119 23.336 10.607 -23.468 1.00 0.00 C ATOM 468 CG1 ILE C 119 23.427 10.707 -25.000 1.00 0.00 C ATOM 469 CG2 ILE C 119 23.187 12.027 -22.896 1.00 0.00 C ATOM 470 CD1 ILE C 119 22.112 11.225 -25.575 1.00 0.00 C ATOM 0 H ILE C 119 23.867 8.259 -24.020 1.00 0.00 H new ATOM 0 HA ILE C 119 25.485 10.568 -23.245 1.00 0.00 H new ATOM 0 HB ILE C 119 22.480 10.003 -23.165 1.00 0.00 H new ATOM 0 HG12 ILE C 119 24.242 11.374 -25.280 1.00 0.00 H new ATOM 0 HG13 ILE C 119 23.656 9.729 -25.422 1.00 0.00 H new ATOM 0 HG21 ILE C 119 22.269 12.477 -23.274 1.00 0.00 H new ATOM 0 HG22 ILE C 119 23.147 11.979 -21.808 1.00 0.00 H new ATOM 0 HG23 ILE C 119 24.040 12.633 -23.201 1.00 0.00 H new ATOM 0 HD11 ILE C 119 22.190 11.291 -26.660 1.00 0.00 H new ATOM 0 HD12 ILE C 119 21.305 10.542 -25.310 1.00 0.00 H new ATOM 0 HD13 ILE C 119 21.900 12.213 -25.166 1.00 0.00 H new ATOM 482 N MET C 120 24.134 8.845 -20.804 1.00 0.00 N ATOM 483 CA MET C 120 24.276 8.672 -19.313 1.00 0.00 C ATOM 484 C MET C 120 25.777 8.487 -19.001 1.00 0.00 C ATOM 485 O MET C 120 26.309 9.096 -18.081 1.00 0.00 O ATOM 486 CB MET C 120 23.511 7.376 -18.993 1.00 0.00 C ATOM 487 CG MET C 120 23.457 7.138 -17.479 1.00 0.00 C ATOM 488 SD MET C 120 22.875 5.454 -17.178 1.00 0.00 S ATOM 489 CE MET C 120 24.331 4.587 -17.815 1.00 0.00 C ATOM 0 H MET C 120 23.583 8.128 -21.275 1.00 0.00 H new ATOM 0 HA MET C 120 23.897 9.516 -18.737 1.00 0.00 H new ATOM 0 HB2 MET C 120 22.499 7.437 -19.393 1.00 0.00 H new ATOM 0 HB3 MET C 120 23.996 6.531 -19.482 1.00 0.00 H new ATOM 0 HG2 MET C 120 24.444 7.281 -17.039 1.00 0.00 H new ATOM 0 HG3 MET C 120 22.789 7.859 -17.007 1.00 0.00 H new ATOM 0 HE1 MET C 120 24.298 3.543 -17.504 1.00 0.00 H new ATOM 0 HE2 MET C 120 24.339 4.641 -18.904 1.00 0.00 H new ATOM 0 HE3 MET C 120 25.234 5.055 -17.422 1.00 0.00 H new ATOM 499 N LEU C 121 26.478 7.695 -19.805 1.00 0.00 N ATOM 500 CA LEU C 121 27.962 7.532 -19.599 1.00 0.00 C ATOM 501 C LEU C 121 28.662 8.881 -19.810 1.00 0.00 C ATOM 502 O LEU C 121 29.522 9.248 -19.058 1.00 0.00 O ATOM 503 CB LEU C 121 28.445 6.498 -20.650 1.00 0.00 C ATOM 504 CG LEU C 121 28.499 5.070 -20.050 1.00 0.00 C ATOM 505 CD1 LEU C 121 29.383 5.048 -18.794 1.00 0.00 C ATOM 506 CD2 LEU C 121 27.096 4.569 -19.690 1.00 0.00 C ATOM 0 H LEU C 121 26.087 7.164 -20.583 1.00 0.00 H new ATOM 0 HA LEU C 121 28.192 7.192 -18.589 1.00 0.00 H new ATOM 0 HB2 LEU C 121 27.774 6.509 -21.509 1.00 0.00 H new ATOM 0 HB3 LEU C 121 29.433 6.780 -21.013 1.00 0.00 H new ATOM 0 HG LEU C 121 28.925 4.411 -20.806 1.00 0.00 H new ATOM 0 HD11 LEU C 121 29.410 4.038 -18.386 1.00 0.00 H new ATOM 0 HD12 LEU C 121 30.394 5.361 -19.055 1.00 0.00 H new ATOM 0 HD13 LEU C 121 28.973 5.730 -18.049 1.00 0.00 H new ATOM 0 HD21 LEU C 121 27.164 3.565 -19.271 1.00 0.00 H new ATOM 0 HD22 LEU C 121 26.648 5.238 -18.956 1.00 0.00 H new ATOM 0 HD23 LEU C 121 26.476 4.547 -20.587 1.00 0.00 H new ATOM 518 N GLN C 122 28.253 9.647 -20.799 1.00 0.00 N ATOM 519 CA GLN C 122 28.871 11.015 -21.005 1.00 0.00 C ATOM 520 C GLN C 122 28.614 11.906 -19.771 1.00 0.00 C ATOM 521 O GLN C 122 29.482 12.660 -19.361 1.00 0.00 O ATOM 522 CB GLN C 122 28.196 11.598 -22.257 1.00 0.00 C ATOM 523 CG GLN C 122 28.572 10.761 -23.493 1.00 0.00 C ATOM 524 CD GLN C 122 27.917 11.365 -24.734 1.00 0.00 C ATOM 525 OE1 GLN C 122 26.720 11.594 -24.758 1.00 0.00 O ATOM 526 NE2 GLN C 122 28.642 11.653 -25.768 1.00 0.00 N ATOM 0 H GLN C 122 27.527 9.394 -21.469 1.00 0.00 H new ATOM 0 HA GLN C 122 29.952 10.958 -21.134 1.00 0.00 H new ATOM 0 HB2 GLN C 122 27.114 11.605 -22.127 1.00 0.00 H new ATOM 0 HB3 GLN C 122 28.507 12.633 -22.400 1.00 0.00 H new ATOM 0 HG2 GLN C 122 29.655 10.738 -23.615 1.00 0.00 H new ATOM 0 HG3 GLN C 122 28.244 9.730 -23.361 1.00 0.00 H new ATOM 0 HE21 GLN C 122 29.644 11.465 -25.756 1.00 0.00 H new ATOM 0 HE22 GLN C 122 28.211 12.068 -26.594 1.00 0.00 H new ATOM 535 N ALA C 123 27.456 11.770 -19.127 1.00 0.00 N ATOM 536 CA ALA C 123 27.202 12.544 -17.855 1.00 0.00 C ATOM 537 C ALA C 123 28.127 11.979 -16.772 1.00 0.00 C ATOM 538 O ALA C 123 28.677 12.695 -15.958 1.00 0.00 O ATOM 539 CB ALA C 123 25.737 12.271 -17.485 1.00 0.00 C ATOM 0 H ALA C 123 26.691 11.165 -19.427 1.00 0.00 H new ATOM 0 HA ALA C 123 27.386 13.613 -17.962 1.00 0.00 H new ATOM 0 HB1 ALA C 123 25.488 12.805 -16.568 1.00 0.00 H new ATOM 0 HB2 ALA C 123 25.088 12.612 -18.292 1.00 0.00 H new ATOM 0 HB3 ALA C 123 25.594 11.201 -17.332 1.00 0.00 H new ATOM 545 N THR C 124 28.329 10.701 -16.807 1.00 0.00 N ATOM 546 CA THR C 124 29.222 10.011 -15.854 1.00 0.00 C ATOM 547 C THR C 124 30.650 10.047 -16.453 1.00 0.00 C ATOM 548 O THR C 124 31.183 9.027 -16.887 1.00 0.00 O ATOM 549 CB THR C 124 28.661 8.563 -15.838 1.00 0.00 C ATOM 550 OG1 THR C 124 27.220 8.580 -15.766 1.00 0.00 O ATOM 551 CG2 THR C 124 29.194 7.814 -14.646 1.00 0.00 C ATOM 0 H THR C 124 27.891 10.081 -17.488 1.00 0.00 H new ATOM 0 HA THR C 124 29.265 10.444 -14.854 1.00 0.00 H new ATOM 0 HB THR C 124 28.974 8.069 -16.758 1.00 0.00 H new ATOM 0 HG1 THR C 124 26.846 8.380 -16.649 1.00 0.00 H new ATOM 0 HG21 THR C 124 28.794 6.800 -14.645 1.00 0.00 H new ATOM 0 HG22 THR C 124 30.282 7.775 -14.698 1.00 0.00 H new ATOM 0 HG23 THR C 124 28.892 8.324 -13.731 1.00 0.00 H new ATOM 559 N GLY C 125 31.242 11.223 -16.544 1.00 0.00 N ATOM 560 CA GLY C 125 32.595 11.382 -17.198 1.00 0.00 C ATOM 561 C GLY C 125 33.714 10.657 -16.418 1.00 0.00 C ATOM 562 O GLY C 125 34.719 11.260 -16.090 1.00 0.00 O ATOM 0 H GLY C 125 30.841 12.091 -16.189 1.00 0.00 H new ATOM 0 HA2 GLY C 125 32.552 10.991 -18.215 1.00 0.00 H new ATOM 0 HA3 GLY C 125 32.837 12.442 -17.274 1.00 0.00 H new ATOM 566 N GLU C 126 33.569 9.374 -16.170 1.00 0.00 N ATOM 567 CA GLU C 126 34.637 8.581 -15.497 1.00 0.00 C ATOM 568 C GLU C 126 35.478 7.920 -16.628 1.00 0.00 C ATOM 569 O GLU C 126 36.313 8.578 -17.238 1.00 0.00 O ATOM 570 CB GLU C 126 33.855 7.546 -14.640 1.00 0.00 C ATOM 571 CG GLU C 126 34.814 6.673 -13.814 1.00 0.00 C ATOM 572 CD GLU C 126 34.027 5.559 -13.151 1.00 0.00 C ATOM 573 OE1 GLU C 126 33.429 4.783 -13.856 1.00 0.00 O1- ATOM 574 OE2 GLU C 126 34.027 5.493 -11.952 1.00 0.00 O ATOM 0 H GLU C 126 32.736 8.838 -16.413 1.00 0.00 H new ATOM 0 HA GLU C 126 35.323 9.145 -14.864 1.00 0.00 H new ATOM 0 HB2 GLU C 126 33.167 8.067 -13.974 1.00 0.00 H new ATOM 0 HB3 GLU C 126 33.251 6.913 -15.290 1.00 0.00 H new ATOM 0 HG2 GLU C 126 35.589 6.255 -14.456 1.00 0.00 H new ATOM 0 HG3 GLU C 126 35.317 7.278 -13.060 1.00 0.00 H new ATOM 581 N THR C 127 35.195 6.681 -16.996 1.00 0.00 N ATOM 582 CA THR C 127 35.905 6.062 -18.152 1.00 0.00 C ATOM 583 C THR C 127 34.845 5.498 -19.120 1.00 0.00 C ATOM 584 O THR C 127 33.990 4.718 -18.724 1.00 0.00 O ATOM 585 CB THR C 127 36.737 4.913 -17.542 1.00 0.00 C ATOM 586 OG1 THR C 127 37.446 5.384 -16.388 1.00 0.00 O ATOM 587 CG2 THR C 127 37.753 4.409 -18.574 1.00 0.00 C ATOM 0 H THR C 127 34.505 6.083 -16.541 1.00 0.00 H new ATOM 0 HA THR C 127 36.535 6.763 -18.699 1.00 0.00 H new ATOM 0 HB THR C 127 36.065 4.104 -17.256 1.00 0.00 H new ATOM 0 HG1 THR C 127 37.971 4.650 -16.004 1.00 0.00 H new ATOM 0 HG21 THR C 127 38.339 3.598 -18.142 1.00 0.00 H new ATOM 0 HG22 THR C 127 37.226 4.045 -19.456 1.00 0.00 H new ATOM 0 HG23 THR C 127 38.417 5.225 -18.859 1.00 0.00 H new ATOM 595 N ILE C 128 34.929 5.841 -20.371 1.00 0.00 N ATOM 596 CA ILE C 128 33.984 5.278 -21.388 1.00 0.00 C ATOM 597 C ILE C 128 34.791 4.759 -22.576 1.00 0.00 C ATOM 598 O ILE C 128 35.723 5.422 -23.039 1.00 0.00 O ATOM 599 CB ILE C 128 33.020 6.429 -21.813 1.00 0.00 C ATOM 600 CG1 ILE C 128 33.795 7.760 -22.087 1.00 0.00 C ATOM 601 CG2 ILE C 128 31.940 6.637 -20.733 1.00 0.00 C ATOM 602 CD1 ILE C 128 33.818 8.649 -20.830 1.00 0.00 C ATOM 0 H ILE C 128 35.618 6.495 -20.743 1.00 0.00 H new ATOM 0 HA ILE C 128 33.402 4.447 -20.989 1.00 0.00 H new ATOM 0 HB ILE C 128 32.537 6.139 -22.746 1.00 0.00 H new ATOM 0 HG12 ILE C 128 34.815 7.535 -22.397 1.00 0.00 H new ATOM 0 HG13 ILE C 128 33.323 8.298 -22.910 1.00 0.00 H new ATOM 0 HG21 ILE C 128 31.271 7.442 -21.037 1.00 0.00 H new ATOM 0 HG22 ILE C 128 31.368 5.718 -20.609 1.00 0.00 H new ATOM 0 HG23 ILE C 128 32.416 6.899 -19.788 1.00 0.00 H new ATOM 0 HD11 ILE C 128 34.362 9.569 -21.045 1.00 0.00 H new ATOM 0 HD12 ILE C 128 32.796 8.892 -20.537 1.00 0.00 H new ATOM 0 HD13 ILE C 128 34.312 8.117 -20.017 1.00 0.00 H new ATOM 614 N THR C 129 34.453 3.624 -23.075 1.00 0.00 N ATOM 615 CA THR C 129 35.168 3.053 -24.258 1.00 0.00 C ATOM 616 C THR C 129 34.083 2.771 -25.320 1.00 0.00 C ATOM 617 O THR C 129 32.969 2.411 -24.985 1.00 0.00 O ATOM 618 CB THR C 129 35.806 1.741 -23.729 1.00 0.00 C ATOM 619 OG1 THR C 129 36.291 1.939 -22.384 1.00 0.00 O ATOM 620 CG2 THR C 129 36.998 1.361 -24.601 1.00 0.00 C ATOM 0 H THR C 129 33.696 3.043 -22.715 1.00 0.00 H new ATOM 0 HA THR C 129 35.931 3.694 -24.699 1.00 0.00 H new ATOM 0 HB THR C 129 35.050 0.956 -23.749 1.00 0.00 H new ATOM 0 HG1 THR C 129 35.645 1.570 -21.746 1.00 0.00 H new ATOM 0 HG21 THR C 129 37.444 0.439 -24.227 1.00 0.00 H new ATOM 0 HG22 THR C 129 36.665 1.212 -25.628 1.00 0.00 H new ATOM 0 HG23 THR C 129 37.739 2.160 -24.572 1.00 0.00 H new ATOM 628 N GLU C 130 34.349 2.993 -26.579 1.00 0.00 N ATOM 629 CA GLU C 130 33.243 2.800 -27.593 1.00 0.00 C ATOM 630 C GLU C 130 32.697 1.355 -27.524 1.00 0.00 C ATOM 631 O GLU C 130 31.498 1.141 -27.645 1.00 0.00 O ATOM 632 CB GLU C 130 33.883 3.072 -28.966 1.00 0.00 C ATOM 633 CG GLU C 130 34.299 4.544 -29.065 1.00 0.00 C ATOM 634 CD GLU C 130 34.891 4.805 -30.427 1.00 0.00 C ATOM 635 OE1 GLU C 130 34.144 5.073 -31.342 1.00 0.00 O ATOM 636 OE2 GLU C 130 36.081 4.756 -30.534 1.00 0.00 O1- ATOM 0 H GLU C 130 35.250 3.290 -26.952 1.00 0.00 H new ATOM 0 HA GLU C 130 32.402 3.468 -27.405 1.00 0.00 H new ATOM 0 HB2 GLU C 130 34.752 2.429 -29.106 1.00 0.00 H new ATOM 0 HB3 GLU C 130 33.177 2.830 -29.760 1.00 0.00 H new ATOM 0 HG2 GLU C 130 33.436 5.189 -28.901 1.00 0.00 H new ATOM 0 HG3 GLU C 130 35.026 4.781 -28.288 1.00 0.00 H new ATOM 643 N ASP C 131 33.554 0.376 -27.308 1.00 0.00 N ATOM 644 CA ASP C 131 33.059 -1.037 -27.207 1.00 0.00 C ATOM 645 C ASP C 131 32.313 -1.322 -25.879 1.00 0.00 C ATOM 646 O ASP C 131 31.332 -2.047 -25.892 1.00 0.00 O ATOM 647 CB ASP C 131 34.283 -1.987 -27.393 1.00 0.00 C ATOM 648 CG ASP C 131 35.270 -1.899 -26.229 1.00 0.00 C ATOM 649 OD1 ASP C 131 35.486 -0.832 -25.727 1.00 0.00 O ATOM 650 OD2 ASP C 131 35.812 -2.914 -25.875 1.00 0.00 O1- ATOM 0 H ASP C 131 34.561 0.495 -27.199 1.00 0.00 H new ATOM 0 HA ASP C 131 32.320 -1.211 -27.990 1.00 0.00 H new ATOM 0 HB2 ASP C 131 33.931 -3.014 -27.491 1.00 0.00 H new ATOM 0 HB3 ASP C 131 34.797 -1.736 -28.321 1.00 0.00 H new ATOM 655 N ASP C 132 32.773 -0.813 -24.727 1.00 0.00 N ATOM 656 CA ASP C 132 32.050 -1.189 -23.436 1.00 0.00 C ATOM 657 C ASP C 132 30.609 -0.669 -23.403 1.00 0.00 C ATOM 658 O ASP C 132 29.687 -1.407 -23.058 1.00 0.00 O ATOM 659 CB ASP C 132 32.924 -0.753 -22.181 1.00 0.00 C ATOM 660 CG ASP C 132 33.123 0.763 -21.967 1.00 0.00 C ATOM 661 OD1 ASP C 132 32.380 1.544 -22.456 1.00 0.00 O1- ATOM 662 OD2 ASP C 132 34.045 1.114 -21.256 1.00 0.00 O ATOM 0 H ASP C 132 33.573 -0.188 -24.628 1.00 0.00 H new ATOM 0 HA ASP C 132 31.946 -2.273 -23.392 1.00 0.00 H new ATOM 0 HB2 ASP C 132 32.461 -1.165 -21.284 1.00 0.00 H new ATOM 0 HB3 ASP C 132 33.907 -1.215 -22.274 1.00 0.00 H new ATOM 667 N ILE C 133 30.379 0.528 -23.852 1.00 0.00 N ATOM 668 CA ILE C 133 28.978 1.054 -23.934 1.00 0.00 C ATOM 669 C ILE C 133 28.156 0.141 -24.874 1.00 0.00 C ATOM 670 O ILE C 133 27.026 -0.228 -24.565 1.00 0.00 O ATOM 671 CB ILE C 133 29.145 2.494 -24.491 1.00 0.00 C ATOM 672 CG1 ILE C 133 29.859 3.351 -23.432 1.00 0.00 C ATOM 673 CG2 ILE C 133 27.793 3.130 -24.814 1.00 0.00 C ATOM 674 CD1 ILE C 133 30.918 4.215 -24.089 1.00 0.00 C ATOM 0 H ILE C 133 31.101 1.175 -24.170 1.00 0.00 H new ATOM 0 HA ILE C 133 28.445 1.069 -22.983 1.00 0.00 H new ATOM 0 HB ILE C 133 29.726 2.443 -25.412 1.00 0.00 H new ATOM 0 HG12 ILE C 133 29.135 3.980 -22.914 1.00 0.00 H new ATOM 0 HG13 ILE C 133 30.318 2.708 -22.681 1.00 0.00 H new ATOM 0 HG21 ILE C 133 27.948 4.137 -25.201 1.00 0.00 H new ATOM 0 HG22 ILE C 133 27.278 2.528 -25.563 1.00 0.00 H new ATOM 0 HG23 ILE C 133 27.188 3.179 -23.908 1.00 0.00 H new ATOM 0 HD11 ILE C 133 31.418 4.818 -23.331 1.00 0.00 H new ATOM 0 HD12 ILE C 133 31.650 3.578 -24.587 1.00 0.00 H new ATOM 0 HD13 ILE C 133 30.449 4.871 -24.823 1.00 0.00 H new ATOM 686 N GLU C 134 28.739 -0.267 -25.984 1.00 0.00 N ATOM 687 CA GLU C 134 28.028 -1.184 -26.918 1.00 0.00 C ATOM 688 C GLU C 134 27.795 -2.547 -26.239 1.00 0.00 C ATOM 689 O GLU C 134 26.676 -3.068 -26.245 1.00 0.00 O ATOM 690 CB GLU C 134 28.988 -1.313 -28.131 1.00 0.00 C ATOM 691 CG GLU C 134 28.355 -2.163 -29.249 1.00 0.00 C ATOM 692 CD GLU C 134 27.108 -1.496 -29.837 1.00 0.00 C ATOM 693 OE1 GLU C 134 27.023 -0.280 -29.825 1.00 0.00 O ATOM 694 OE2 GLU C 134 26.250 -2.229 -30.283 1.00 0.00 O1- ATOM 0 H GLU C 134 29.679 0.001 -26.276 1.00 0.00 H new ATOM 0 HA GLU C 134 27.046 -0.818 -27.216 1.00 0.00 H new ATOM 0 HB2 GLU C 134 29.229 -0.322 -28.515 1.00 0.00 H new ATOM 0 HB3 GLU C 134 29.925 -1.767 -27.810 1.00 0.00 H new ATOM 0 HG2 GLU C 134 29.087 -2.325 -30.040 1.00 0.00 H new ATOM 0 HG3 GLU C 134 28.090 -3.144 -28.854 1.00 0.00 H new ATOM 701 N GLU C 135 28.813 -3.138 -25.642 1.00 0.00 N ATOM 702 CA GLU C 135 28.608 -4.489 -25.006 1.00 0.00 C ATOM 703 C GLU C 135 27.637 -4.424 -23.869 1.00 0.00 C ATOM 704 O GLU C 135 26.804 -5.309 -23.728 1.00 0.00 O ATOM 705 CB GLU C 135 29.977 -4.987 -24.558 1.00 0.00 C ATOM 706 CG GLU C 135 30.832 -5.210 -25.804 1.00 0.00 C ATOM 707 CD GLU C 135 30.073 -6.066 -26.825 1.00 0.00 C ATOM 708 OE1 GLU C 135 29.805 -7.203 -26.534 1.00 0.00 O1- ATOM 709 OE2 GLU C 135 29.765 -5.570 -27.886 1.00 0.00 O ATOM 0 H GLU C 135 29.755 -2.755 -25.568 1.00 0.00 H new ATOM 0 HA GLU C 135 28.171 -5.184 -25.723 1.00 0.00 H new ATOM 0 HB2 GLU C 135 30.449 -4.260 -23.898 1.00 0.00 H new ATOM 0 HB3 GLU C 135 29.879 -5.914 -23.993 1.00 0.00 H new ATOM 0 HG2 GLU C 135 31.096 -4.250 -26.249 1.00 0.00 H new ATOM 0 HG3 GLU C 135 31.765 -5.702 -25.530 1.00 0.00 H new ATOM 716 N LEU C 136 27.648 -3.366 -23.101 1.00 0.00 N ATOM 717 CA LEU C 136 26.623 -3.272 -22.026 1.00 0.00 C ATOM 718 C LEU C 136 25.224 -3.285 -22.671 1.00 0.00 C ATOM 719 O LEU C 136 24.313 -3.934 -22.176 1.00 0.00 O ATOM 720 CB LEU C 136 26.890 -1.972 -21.245 1.00 0.00 C ATOM 721 CG LEU C 136 27.850 -2.236 -20.049 1.00 0.00 C ATOM 722 CD1 LEU C 136 29.159 -2.898 -20.504 1.00 0.00 C ATOM 723 CD2 LEU C 136 28.181 -0.912 -19.360 1.00 0.00 C ATOM 0 H LEU C 136 28.302 -2.586 -23.168 1.00 0.00 H new ATOM 0 HA LEU C 136 26.673 -4.114 -21.335 1.00 0.00 H new ATOM 0 HB2 LEU C 136 27.326 -1.226 -21.909 1.00 0.00 H new ATOM 0 HB3 LEU C 136 25.949 -1.562 -20.879 1.00 0.00 H new ATOM 0 HG LEU C 136 27.344 -2.913 -19.361 1.00 0.00 H new ATOM 0 HD11 LEU C 136 29.802 -3.065 -19.640 1.00 0.00 H new ATOM 0 HD12 LEU C 136 28.937 -3.852 -20.982 1.00 0.00 H new ATOM 0 HD13 LEU C 136 29.668 -2.247 -21.214 1.00 0.00 H new ATOM 0 HD21 LEU C 136 28.853 -1.096 -18.522 1.00 0.00 H new ATOM 0 HD22 LEU C 136 28.663 -0.242 -20.072 1.00 0.00 H new ATOM 0 HD23 LEU C 136 27.263 -0.453 -18.994 1.00 0.00 H new ATOM 735 N MET C 137 25.070 -2.648 -23.827 1.00 0.00 N ATOM 736 CA MET C 137 23.760 -2.740 -24.544 1.00 0.00 C ATOM 737 C MET C 137 23.490 -4.212 -24.913 1.00 0.00 C ATOM 738 O MET C 137 22.385 -4.690 -24.764 1.00 0.00 O ATOM 739 CB MET C 137 23.907 -1.895 -25.816 1.00 0.00 C ATOM 740 CG MET C 137 22.564 -1.843 -26.536 1.00 0.00 C ATOM 741 SD MET C 137 21.439 -0.791 -25.586 1.00 0.00 S ATOM 742 CE MET C 137 19.918 -1.244 -26.437 1.00 0.00 C ATOM 0 H MET C 137 25.784 -2.084 -24.287 1.00 0.00 H new ATOM 0 HA MET C 137 22.932 -2.384 -23.931 1.00 0.00 H new ATOM 0 HB2 MET C 137 24.237 -0.888 -25.563 1.00 0.00 H new ATOM 0 HB3 MET C 137 24.667 -2.325 -26.468 1.00 0.00 H new ATOM 0 HG2 MET C 137 22.690 -1.448 -27.544 1.00 0.00 H new ATOM 0 HG3 MET C 137 22.150 -2.846 -26.636 1.00 0.00 H new ATOM 0 HE1 MET C 137 19.065 -1.048 -25.787 1.00 0.00 H new ATOM 0 HE2 MET C 137 19.822 -0.655 -27.349 1.00 0.00 H new ATOM 0 HE3 MET C 137 19.945 -2.304 -26.691 1.00 0.00 H new ATOM 752 N LYS C 138 24.512 -4.946 -25.357 1.00 0.00 N ATOM 753 CA LYS C 138 24.310 -6.412 -25.676 1.00 0.00 C ATOM 754 C LYS C 138 23.906 -7.159 -24.404 1.00 0.00 C ATOM 755 O LYS C 138 23.010 -7.961 -24.431 1.00 0.00 O ATOM 756 CB LYS C 138 25.665 -6.942 -26.201 1.00 0.00 C ATOM 757 CG LYS C 138 25.648 -7.070 -27.753 1.00 0.00 C ATOM 758 CD LYS C 138 25.347 -5.711 -28.425 1.00 0.00 C ATOM 759 CE LYS C 138 26.598 -4.813 -28.381 1.00 0.00 C ATOM 760 NZ LYS C 138 27.600 -5.427 -29.311 1.00 0.00 N1+ ATOM 0 H LYS C 138 25.458 -4.595 -25.508 1.00 0.00 H new ATOM 0 HA LYS C 138 23.524 -6.557 -26.417 1.00 0.00 H new ATOM 0 HB2 LYS C 138 26.466 -6.269 -25.896 1.00 0.00 H new ATOM 0 HB3 LYS C 138 25.878 -7.913 -25.754 1.00 0.00 H new ATOM 0 HG2 LYS C 138 26.611 -7.444 -28.100 1.00 0.00 H new ATOM 0 HG3 LYS C 138 24.896 -7.800 -28.052 1.00 0.00 H new ATOM 0 HD2 LYS C 138 25.038 -5.868 -29.458 1.00 0.00 H new ATOM 0 HD3 LYS C 138 24.518 -5.220 -27.915 1.00 0.00 H new ATOM 0 HE2 LYS C 138 26.356 -3.796 -28.689 1.00 0.00 H new ATOM 0 HE3 LYS C 138 26.996 -4.753 -27.368 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 28.472 -5.643 -28.788 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 27.210 -6.304 -29.712 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 27.814 -4.760 -30.080 1.00 0.00 H new ATOM 774 N ASP C 139 24.534 -6.863 -23.282 1.00 0.00 N ATOM 775 CA ASP C 139 24.120 -7.521 -21.978 1.00 0.00 C ATOM 776 C ASP C 139 22.653 -7.152 -21.693 1.00 0.00 C ATOM 777 O ASP C 139 21.837 -7.978 -21.282 1.00 0.00 O ATOM 778 CB ASP C 139 25.039 -6.871 -20.918 1.00 0.00 C ATOM 779 CG ASP C 139 24.911 -7.542 -19.556 1.00 0.00 C ATOM 780 OD1 ASP C 139 24.394 -8.630 -19.468 1.00 0.00 O1- ATOM 781 OD2 ASP C 139 25.346 -6.957 -18.608 1.00 0.00 O ATOM 0 H ASP C 139 25.308 -6.202 -23.207 1.00 0.00 H new ATOM 0 HA ASP C 139 24.205 -8.608 -21.990 1.00 0.00 H new ATOM 0 HB2 ASP C 139 26.075 -6.928 -21.253 1.00 0.00 H new ATOM 0 HB3 ASP C 139 24.792 -5.813 -20.825 1.00 0.00 H new ATOM 786 N GLY C 140 22.309 -5.912 -21.931 1.00 0.00 N ATOM 787 CA GLY C 140 20.915 -5.439 -21.737 1.00 0.00 C ATOM 788 C GLY C 140 19.957 -6.106 -22.726 1.00 0.00 C ATOM 789 O GLY C 140 18.771 -6.242 -22.432 1.00 0.00 O ATOM 0 H GLY C 140 22.956 -5.195 -22.259 1.00 0.00 H new ATOM 0 HA2 GLY C 140 20.595 -5.653 -20.717 1.00 0.00 H new ATOM 0 HA3 GLY C 140 20.875 -4.357 -21.863 1.00 0.00 H new ATOM 793 N ASP C 141 20.406 -6.458 -23.915 1.00 0.00 N ATOM 794 CA ASP C 141 19.451 -7.042 -24.900 1.00 0.00 C ATOM 795 C ASP C 141 19.440 -8.563 -24.848 1.00 0.00 C ATOM 796 O ASP C 141 20.440 -9.204 -24.608 1.00 0.00 O ATOM 797 CB ASP C 141 19.844 -6.564 -26.290 1.00 0.00 C ATOM 798 CG ASP C 141 18.601 -6.600 -27.130 1.00 0.00 C ATOM 799 OD1 ASP C 141 18.329 -7.583 -27.719 1.00 0.00 O ATOM 800 OD2 ASP C 141 17.883 -5.640 -27.108 1.00 0.00 O1- ATOM 0 H ASP C 141 21.371 -6.366 -24.234 1.00 0.00 H new ATOM 0 HA ASP C 141 18.443 -6.710 -24.653 1.00 0.00 H new ATOM 0 HB2 ASP C 141 20.254 -5.555 -26.250 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.616 -7.205 -26.715 1.00 0.00 H new ATOM 805 N LYS C 142 18.299 -9.141 -25.019 1.00 0.00 N ATOM 806 CA LYS C 142 18.176 -10.636 -24.945 1.00 0.00 C ATOM 807 C LYS C 142 18.042 -11.271 -26.340 1.00 0.00 C ATOM 808 O LYS C 142 18.468 -12.394 -26.541 1.00 0.00 O ATOM 809 CB LYS C 142 16.907 -10.886 -24.115 1.00 0.00 C ATOM 810 CG LYS C 142 17.245 -10.767 -22.618 1.00 0.00 C ATOM 811 CD LYS C 142 17.366 -9.284 -22.222 1.00 0.00 C ATOM 812 CE LYS C 142 18.636 -9.074 -21.368 1.00 0.00 C ATOM 813 NZ LYS C 142 18.168 -9.194 -19.968 1.00 0.00 N1+ ATOM 0 H LYS C 142 17.426 -8.648 -25.210 1.00 0.00 H new ATOM 0 HA LYS C 142 19.064 -11.085 -24.500 1.00 0.00 H new ATOM 0 HB2 LYS C 142 16.135 -10.165 -24.384 1.00 0.00 H new ATOM 0 HB3 LYS C 142 16.507 -11.876 -24.331 1.00 0.00 H new ATOM 0 HG2 LYS C 142 16.470 -11.249 -22.022 1.00 0.00 H new ATOM 0 HG3 LYS C 142 18.179 -11.286 -22.405 1.00 0.00 H new ATOM 0 HD2 LYS C 142 17.410 -8.662 -23.116 1.00 0.00 H new ATOM 0 HD3 LYS C 142 16.484 -8.974 -21.661 1.00 0.00 H new ATOM 0 HE2 LYS C 142 19.396 -9.821 -21.597 1.00 0.00 H new ATOM 0 HE3 LYS C 142 19.082 -8.097 -21.555 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 18.926 -9.599 -19.382 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 17.915 -8.253 -19.605 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 17.334 -9.815 -19.933 1.00 0.00 H new ATOM 827 N ASN C 143 17.389 -10.614 -27.279 1.00 0.00 N ATOM 828 CA ASN C 143 17.168 -11.263 -28.632 1.00 0.00 C ATOM 829 C ASN C 143 17.707 -10.377 -29.766 1.00 0.00 C ATOM 830 O ASN C 143 17.147 -10.350 -30.845 1.00 0.00 O ATOM 831 CB ASN C 143 15.641 -11.404 -28.754 1.00 0.00 C ATOM 832 CG ASN C 143 15.314 -12.498 -29.781 1.00 0.00 C ATOM 833 OD1 ASN C 143 15.419 -13.674 -29.489 1.00 0.00 O ATOM 834 ND2 ASN C 143 14.948 -12.171 -30.978 1.00 0.00 N ATOM 0 H ASN C 143 17.004 -9.675 -27.176 1.00 0.00 H new ATOM 0 HA ASN C 143 17.687 -12.218 -28.710 1.00 0.00 H new ATOM 0 HB2 ASN C 143 15.209 -11.657 -27.786 1.00 0.00 H new ATOM 0 HB3 ASN C 143 15.200 -10.456 -29.062 1.00 0.00 H new ATOM 0 HD21 ASN C 143 14.750 -12.897 -31.667 1.00 0.00 H new ATOM 0 HD22 ASN C 143 14.857 -11.188 -31.233 1.00 0.00 H new ATOM 841 N ASN C 144 18.757 -9.620 -29.516 1.00 0.00 N ATOM 842 CA ASN C 144 19.357 -8.677 -30.549 1.00 0.00 C ATOM 843 C ASN C 144 18.285 -7.714 -31.153 1.00 0.00 C ATOM 844 O ASN C 144 18.475 -7.151 -32.215 1.00 0.00 O ATOM 845 CB ASN C 144 20.062 -9.605 -31.615 1.00 0.00 C ATOM 846 CG ASN C 144 19.408 -9.537 -33.018 1.00 0.00 C ATOM 847 OD1 ASN C 144 20.034 -9.111 -33.965 1.00 0.00 O ATOM 848 ND2 ASN C 144 18.194 -9.962 -33.193 1.00 0.00 N ATOM 0 H ASN C 144 19.241 -9.611 -28.618 1.00 0.00 H new ATOM 0 HA ASN C 144 20.086 -7.997 -30.109 1.00 0.00 H new ATOM 0 HB2 ASN C 144 21.111 -9.320 -31.697 1.00 0.00 H new ATOM 0 HB3 ASN C 144 20.039 -10.636 -31.261 1.00 0.00 H new ATOM 0 HD21 ASN C 144 17.774 -9.936 -34.122 1.00 0.00 H new ATOM 0 HD22 ASN C 144 17.661 -10.322 -32.402 1.00 0.00 H new ATOM 855 N ASP C 145 17.233 -7.397 -30.408 1.00 0.00 N ATOM 856 CA ASP C 145 16.229 -6.377 -30.912 1.00 0.00 C ATOM 857 C ASP C 145 16.877 -4.973 -31.019 1.00 0.00 C ATOM 858 O ASP C 145 16.473 -4.157 -31.838 1.00 0.00 O ATOM 859 CB ASP C 145 14.975 -6.415 -29.973 1.00 0.00 C ATOM 860 CG ASP C 145 15.312 -6.079 -28.551 1.00 0.00 C ATOM 861 OD1 ASP C 145 15.465 -4.962 -28.224 1.00 0.00 O ATOM 862 OD2 ASP C 145 15.430 -6.947 -27.760 1.00 0.00 O1- ATOM 0 H ASP C 145 17.028 -7.792 -29.490 1.00 0.00 H new ATOM 0 HA ASP C 145 15.902 -6.622 -31.922 1.00 0.00 H new ATOM 0 HB2 ASP C 145 14.228 -5.712 -30.342 1.00 0.00 H new ATOM 0 HB3 ASP C 145 14.526 -7.407 -30.012 1.00 0.00 H new ATOM 867 N GLY C 146 17.907 -4.697 -30.239 1.00 0.00 N ATOM 868 CA GLY C 146 18.616 -3.369 -30.344 1.00 0.00 C ATOM 869 C GLY C 146 18.181 -2.405 -29.232 1.00 0.00 C ATOM 870 O GLY C 146 18.716 -1.319 -29.123 1.00 0.00 O ATOM 0 H GLY C 146 18.286 -5.332 -29.536 1.00 0.00 H new ATOM 0 HA2 GLY C 146 19.693 -3.526 -30.289 1.00 0.00 H new ATOM 0 HA3 GLY C 146 18.408 -2.921 -31.316 1.00 0.00 H new ATOM 874 N ARG C 147 17.239 -2.785 -28.396 1.00 0.00 N ATOM 875 CA ARG C 147 16.795 -1.897 -27.270 1.00 0.00 C ATOM 876 C ARG C 147 16.725 -2.732 -25.993 1.00 0.00 C ATOM 877 O ARG C 147 16.360 -3.912 -26.040 1.00 0.00 O ATOM 878 CB ARG C 147 15.374 -1.457 -27.662 1.00 0.00 C ATOM 879 CG ARG C 147 15.376 0.000 -28.141 1.00 0.00 C ATOM 880 CD ARG C 147 15.420 0.054 -29.682 1.00 0.00 C ATOM 881 NE ARG C 147 16.514 1.024 -30.008 1.00 0.00 N ATOM 882 CZ ARG C 147 17.231 0.873 -31.092 1.00 0.00 C ATOM 883 NH1 ARG C 147 16.676 1.035 -32.269 1.00 0.00 N1+ ATOM 884 NH2 ARG C 147 18.491 0.553 -30.985 1.00 0.00 N ATOM 0 H ARG C 147 16.755 -3.681 -28.447 1.00 0.00 H new ATOM 0 HA ARG C 147 17.463 -1.052 -27.103 1.00 0.00 H new ATOM 0 HB2 ARG C 147 14.991 -2.105 -28.451 1.00 0.00 H new ATOM 0 HB3 ARG C 147 14.705 -1.564 -26.808 1.00 0.00 H new ATOM 0 HG2 ARG C 147 14.485 0.511 -27.777 1.00 0.00 H new ATOM 0 HG3 ARG C 147 16.236 0.526 -27.727 1.00 0.00 H new ATOM 0 HD2 ARG C 147 15.626 -0.929 -30.105 1.00 0.00 H new ATOM 0 HD3 ARG C 147 14.466 0.384 -30.092 1.00 0.00 H new ATOM 0 HE ARG C 147 16.701 1.807 -29.381 1.00 0.00 H new ATOM 0 HH11 ARG C 147 15.688 1.278 -32.338 1.00 0.00 H new ATOM 0 HH12 ARG C 147 17.233 0.918 -33.116 1.00 0.00 H new ATOM 0 HH21 ARG C 147 18.908 0.423 -30.063 1.00 0.00 H new ATOM 0 HH22 ARG C 147 19.060 0.433 -31.823 1.00 0.00 H new ATOM 898 N ILE C 148 16.946 -2.151 -24.854 1.00 0.00 N ATOM 899 CA ILE C 148 16.747 -2.938 -23.612 1.00 0.00 C ATOM 900 C ILE C 148 15.354 -2.588 -23.110 1.00 0.00 C ATOM 901 O ILE C 148 15.091 -1.478 -22.655 1.00 0.00 O ATOM 902 CB ILE C 148 17.826 -2.468 -22.626 1.00 0.00 C ATOM 903 CG1 ILE C 148 19.214 -2.677 -23.236 1.00 0.00 C ATOM 904 CG2 ILE C 148 17.725 -3.265 -21.316 1.00 0.00 C ATOM 905 CD1 ILE C 148 20.257 -2.116 -22.285 1.00 0.00 C ATOM 0 H ILE C 148 17.250 -1.185 -24.728 1.00 0.00 H new ATOM 0 HA ILE C 148 16.827 -4.016 -23.749 1.00 0.00 H new ATOM 0 HB ILE C 148 17.673 -1.409 -22.419 1.00 0.00 H new ATOM 0 HG12 ILE C 148 19.394 -3.738 -23.410 1.00 0.00 H new ATOM 0 HG13 ILE C 148 19.280 -2.180 -24.204 1.00 0.00 H new ATOM 0 HG21 ILE C 148 18.494 -2.925 -20.623 1.00 0.00 H new ATOM 0 HG22 ILE C 148 16.742 -3.111 -20.871 1.00 0.00 H new ATOM 0 HG23 ILE C 148 17.867 -4.326 -21.523 1.00 0.00 H new ATOM 0 HD11 ILE C 148 21.251 -2.259 -22.709 1.00 0.00 H new ATOM 0 HD12 ILE C 148 20.077 -1.052 -22.134 1.00 0.00 H new ATOM 0 HD13 ILE C 148 20.193 -2.634 -21.328 1.00 0.00 H new ATOM 917 N ASP C 149 14.464 -3.503 -23.237 1.00 0.00 N ATOM 918 CA ASP C 149 13.051 -3.279 -22.810 1.00 0.00 C ATOM 919 C ASP C 149 12.936 -3.426 -21.300 1.00 0.00 C ATOM 920 O ASP C 149 13.831 -3.947 -20.648 1.00 0.00 O ATOM 921 CB ASP C 149 12.226 -4.359 -23.534 1.00 0.00 C ATOM 922 CG ASP C 149 10.805 -4.376 -22.995 1.00 0.00 C ATOM 923 OD1 ASP C 149 10.075 -3.453 -23.268 1.00 0.00 O ATOM 924 OD2 ASP C 149 10.487 -5.277 -22.278 1.00 0.00 O1- ATOM 0 H ASP C 149 14.647 -4.427 -23.628 1.00 0.00 H new ATOM 0 HA ASP C 149 12.697 -2.279 -23.059 1.00 0.00 H new ATOM 0 HB2 ASP C 149 12.215 -4.162 -24.606 1.00 0.00 H new ATOM 0 HB3 ASP C 149 12.688 -5.336 -23.394 1.00 0.00 H new ATOM 929 N TYR C 150 11.830 -3.003 -20.754 1.00 0.00 N ATOM 930 CA TYR C 150 11.563 -3.143 -19.283 1.00 0.00 C ATOM 931 C TYR C 150 11.796 -4.606 -18.857 1.00 0.00 C ATOM 932 O TYR C 150 12.513 -4.869 -17.889 1.00 0.00 O ATOM 933 CB TYR C 150 10.050 -2.814 -19.192 1.00 0.00 C ATOM 934 CG TYR C 150 9.520 -2.963 -17.788 1.00 0.00 C ATOM 935 CD1 TYR C 150 9.623 -1.914 -16.879 1.00 0.00 C ATOM 936 CD2 TYR C 150 8.899 -4.163 -17.410 1.00 0.00 C ATOM 937 CE1 TYR C 150 9.097 -2.059 -15.593 1.00 0.00 C ATOM 938 CE2 TYR C 150 8.370 -4.302 -16.131 1.00 0.00 C ATOM 939 CZ TYR C 150 8.469 -3.256 -15.218 1.00 0.00 C ATOM 940 OH TYR C 150 7.933 -3.395 -13.960 1.00 0.00 O ATOM 0 H TYR C 150 11.077 -2.554 -21.275 1.00 0.00 H new ATOM 0 HA TYR C 150 12.194 -2.515 -18.654 1.00 0.00 H new ATOM 0 HB2 TYR C 150 9.880 -1.794 -19.537 1.00 0.00 H new ATOM 0 HB3 TYR C 150 9.495 -3.473 -19.860 1.00 0.00 H new ATOM 0 HD1 TYR C 150 10.107 -0.992 -17.166 1.00 0.00 H new ATOM 0 HD2 TYR C 150 8.832 -4.980 -18.113 1.00 0.00 H new ATOM 0 HE1 TYR C 150 9.174 -1.247 -14.885 1.00 0.00 H new ATOM 0 HE2 TYR C 150 7.882 -5.222 -15.846 1.00 0.00 H new ATOM 0 HH TYR C 150 7.997 -2.542 -13.481 1.00 0.00 H new ATOM 950 N ASP C 151 11.259 -5.561 -19.605 1.00 0.00 N ATOM 951 CA ASP C 151 11.488 -7.005 -19.260 1.00 0.00 C ATOM 952 C ASP C 151 12.966 -7.353 -19.443 1.00 0.00 C ATOM 953 O ASP C 151 13.567 -7.981 -18.576 1.00 0.00 O ATOM 954 CB ASP C 151 10.603 -7.834 -20.221 1.00 0.00 C ATOM 955 CG ASP C 151 9.660 -8.718 -19.419 1.00 0.00 C ATOM 956 OD1 ASP C 151 8.879 -8.194 -18.651 1.00 0.00 O ATOM 957 OD2 ASP C 151 9.736 -9.914 -19.568 1.00 0.00 O1- ATOM 0 H ASP C 151 10.680 -5.398 -20.429 1.00 0.00 H new ATOM 0 HA ASP C 151 11.229 -7.217 -18.223 1.00 0.00 H new ATOM 0 HB2 ASP C 151 10.031 -7.169 -20.868 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.229 -8.448 -20.869 1.00 0.00 H new ATOM 962 N GLU C 152 13.595 -6.893 -20.531 1.00 0.00 N ATOM 963 CA GLU C 152 15.078 -7.162 -20.703 1.00 0.00 C ATOM 964 C GLU C 152 15.848 -6.479 -19.544 1.00 0.00 C ATOM 965 O GLU C 152 16.862 -7.005 -19.060 1.00 0.00 O ATOM 966 CB GLU C 152 15.503 -6.511 -22.064 1.00 0.00 C ATOM 967 CG GLU C 152 14.868 -7.234 -23.287 1.00 0.00 C ATOM 968 CD GLU C 152 15.399 -6.630 -24.592 1.00 0.00 C ATOM 969 OE1 GLU C 152 14.843 -5.724 -25.093 1.00 0.00 O1- ATOM 970 OE2 GLU C 152 16.368 -7.064 -25.103 1.00 0.00 O ATOM 0 H GLU C 152 13.156 -6.360 -21.281 1.00 0.00 H new ATOM 0 HA GLU C 152 15.295 -8.230 -20.696 1.00 0.00 H new ATOM 0 HB2 GLU C 152 15.207 -5.462 -22.071 1.00 0.00 H new ATOM 0 HB3 GLU C 152 16.589 -6.536 -22.153 1.00 0.00 H new ATOM 0 HG2 GLU C 152 15.099 -8.299 -23.250 1.00 0.00 H new ATOM 0 HG3 GLU C 152 13.783 -7.142 -23.250 1.00 0.00 H new ATOM 977 N PHE C 153 15.406 -5.294 -19.144 1.00 0.00 N ATOM 978 CA PHE C 153 16.089 -4.508 -18.053 1.00 0.00 C ATOM 979 C PHE C 153 15.981 -5.222 -16.698 1.00 0.00 C ATOM 980 O PHE C 153 16.954 -5.297 -15.969 1.00 0.00 O ATOM 981 CB PHE C 153 15.363 -3.143 -18.012 1.00 0.00 C ATOM 982 CG PHE C 153 16.085 -2.195 -17.071 1.00 0.00 C ATOM 983 CD1 PHE C 153 17.173 -1.445 -17.532 1.00 0.00 C ATOM 984 CD2 PHE C 153 15.666 -2.067 -15.741 1.00 0.00 C ATOM 985 CE1 PHE C 153 17.837 -0.571 -16.667 1.00 0.00 C ATOM 986 CE2 PHE C 153 16.333 -1.193 -14.874 1.00 0.00 C ATOM 987 CZ PHE C 153 17.420 -0.445 -15.337 1.00 0.00 C ATOM 0 H PHE C 153 14.585 -4.834 -19.538 1.00 0.00 H new ATOM 0 HA PHE C 153 17.155 -4.397 -18.252 1.00 0.00 H new ATOM 0 HB2 PHE C 153 15.323 -2.714 -19.013 1.00 0.00 H new ATOM 0 HB3 PHE C 153 14.333 -3.280 -17.683 1.00 0.00 H new ATOM 0 HD1 PHE C 153 17.500 -1.542 -18.557 1.00 0.00 H new ATOM 0 HD2 PHE C 153 14.826 -2.644 -15.383 1.00 0.00 H new ATOM 0 HE1 PHE C 153 18.674 0.009 -17.026 1.00 0.00 H new ATOM 0 HE2 PHE C 153 16.008 -1.097 -13.849 1.00 0.00 H new ATOM 0 HZ PHE C 153 17.937 0.229 -14.670 1.00 0.00 H new ATOM 997 N LEU C 154 14.807 -5.730 -16.343 1.00 0.00 N ATOM 998 CA LEU C 154 14.656 -6.415 -14.994 1.00 0.00 C ATOM 999 C LEU C 154 15.707 -7.526 -14.850 1.00 0.00 C ATOM 1000 O LEU C 154 16.294 -7.685 -13.793 1.00 0.00 O ATOM 1001 CB LEU C 154 13.229 -6.999 -14.984 1.00 0.00 C ATOM 1002 CG LEU C 154 12.948 -7.695 -13.638 1.00 0.00 C ATOM 1003 CD1 LEU C 154 12.816 -6.657 -12.517 1.00 0.00 C ATOM 1004 CD2 LEU C 154 11.647 -8.495 -13.735 1.00 0.00 C ATOM 0 H LEU C 154 13.963 -5.702 -16.914 1.00 0.00 H new ATOM 0 HA LEU C 154 14.806 -5.727 -14.162 1.00 0.00 H new ATOM 0 HB2 LEU C 154 12.502 -6.204 -15.149 1.00 0.00 H new ATOM 0 HB3 LEU C 154 13.114 -7.711 -15.801 1.00 0.00 H new ATOM 0 HG LEU C 154 13.779 -8.363 -13.411 1.00 0.00 H new ATOM 0 HD11 LEU C 154 12.618 -7.164 -11.573 1.00 0.00 H new ATOM 0 HD12 LEU C 154 13.743 -6.089 -12.436 1.00 0.00 H new ATOM 0 HD13 LEU C 154 11.994 -5.979 -12.744 1.00 0.00 H new ATOM 0 HD21 LEU C 154 11.450 -8.986 -12.782 1.00 0.00 H new ATOM 0 HD22 LEU C 154 10.823 -7.822 -13.973 1.00 0.00 H new ATOM 0 HD23 LEU C 154 11.740 -9.247 -14.519 1.00 0.00 H new ATOM 1016 N GLU C 155 15.985 -8.265 -15.907 1.00 0.00 N ATOM 1017 CA GLU C 155 17.040 -9.331 -15.814 1.00 0.00 C ATOM 1018 C GLU C 155 18.413 -8.705 -15.477 1.00 0.00 C ATOM 1019 O GLU C 155 19.214 -9.302 -14.776 1.00 0.00 O ATOM 1020 CB GLU C 155 17.098 -9.994 -17.178 1.00 0.00 C ATOM 1021 CG GLU C 155 15.779 -10.731 -17.466 1.00 0.00 C ATOM 1022 CD GLU C 155 15.897 -11.573 -18.736 1.00 0.00 C ATOM 1023 OE1 GLU C 155 16.642 -11.190 -19.620 1.00 0.00 O ATOM 1024 OE2 GLU C 155 15.271 -12.604 -18.788 1.00 0.00 O1- ATOM 0 H GLU C 155 15.533 -8.177 -16.817 1.00 0.00 H new ATOM 0 HA GLU C 155 16.803 -10.048 -15.028 1.00 0.00 H new ATOM 0 HB2 GLU C 155 17.280 -9.244 -17.948 1.00 0.00 H new ATOM 0 HB3 GLU C 155 17.931 -10.696 -17.214 1.00 0.00 H new ATOM 0 HG2 GLU C 155 15.522 -11.371 -16.622 1.00 0.00 H new ATOM 0 HG3 GLU C 155 14.970 -10.009 -17.576 1.00 0.00 H new ATOM 1031 N PHE C 156 18.682 -7.498 -15.953 1.00 0.00 N ATOM 1032 CA PHE C 156 20.004 -6.820 -15.641 1.00 0.00 C ATOM 1033 C PHE C 156 20.161 -6.699 -14.111 1.00 0.00 C ATOM 1034 O PHE C 156 21.217 -6.938 -13.581 1.00 0.00 O ATOM 1035 CB PHE C 156 19.910 -5.407 -16.271 1.00 0.00 C ATOM 1036 CG PHE C 156 21.238 -5.009 -16.893 1.00 0.00 C ATOM 1037 CD1 PHE C 156 22.400 -4.927 -16.109 1.00 0.00 C ATOM 1038 CD2 PHE C 156 21.301 -4.726 -18.267 1.00 0.00 C ATOM 1039 CE1 PHE C 156 23.618 -4.564 -16.701 1.00 0.00 C ATOM 1040 CE2 PHE C 156 22.518 -4.362 -18.854 1.00 0.00 C ATOM 1041 CZ PHE C 156 23.676 -4.283 -18.073 1.00 0.00 C ATOM 0 H PHE C 156 18.049 -6.955 -16.540 1.00 0.00 H new ATOM 0 HA PHE C 156 20.856 -7.378 -16.031 1.00 0.00 H new ATOM 0 HB2 PHE C 156 19.128 -5.393 -17.030 1.00 0.00 H new ATOM 0 HB3 PHE C 156 19.627 -4.681 -15.509 1.00 0.00 H new ATOM 0 HD1 PHE C 156 22.356 -5.143 -15.052 1.00 0.00 H new ATOM 0 HD2 PHE C 156 20.408 -4.789 -18.872 1.00 0.00 H new ATOM 0 HE1 PHE C 156 24.513 -4.501 -16.099 1.00 0.00 H new ATOM 0 HE2 PHE C 156 22.563 -4.142 -19.910 1.00 0.00 H new ATOM 0 HZ PHE C 156 24.615 -4.005 -18.528 1.00 0.00 H new ATOM 1051 N MET C 157 19.085 -6.394 -13.396 1.00 0.00 N ATOM 1052 CA MET C 157 19.168 -6.336 -11.882 1.00 0.00 C ATOM 1053 C MET C 157 18.609 -7.646 -11.267 1.00 0.00 C ATOM 1054 O MET C 157 18.152 -7.666 -10.131 1.00 0.00 O ATOM 1055 CB MET C 157 18.345 -5.090 -11.393 1.00 0.00 C ATOM 1056 CG MET C 157 17.095 -4.823 -12.262 1.00 0.00 C ATOM 1057 SD MET C 157 16.186 -3.412 -11.580 1.00 0.00 S ATOM 1058 CE MET C 157 14.786 -3.460 -12.721 1.00 0.00 C ATOM 0 H MET C 157 18.167 -6.186 -13.788 1.00 0.00 H new ATOM 0 HA MET C 157 20.205 -6.237 -11.561 1.00 0.00 H new ATOM 0 HB2 MET C 157 18.037 -5.246 -10.359 1.00 0.00 H new ATOM 0 HB3 MET C 157 18.986 -4.209 -11.405 1.00 0.00 H new ATOM 0 HG2 MET C 157 17.390 -4.618 -13.291 1.00 0.00 H new ATOM 0 HG3 MET C 157 16.457 -5.706 -12.283 1.00 0.00 H new ATOM 0 HE1 MET C 157 14.496 -2.443 -12.984 1.00 0.00 H new ATOM 0 HE2 MET C 157 15.071 -4.001 -13.624 1.00 0.00 H new ATOM 0 HE3 MET C 157 13.946 -3.966 -12.245 1.00 0.00 H new