USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=13 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 -46:sc= 0.582 USER MOD Set 1.2: C 150 TYR OH : rot 180:sc= 0.601 USER MOD Single : C 103 MET CE :methyl -135:sc= -0.114 (180deg=-0.527) USER MOD Single : C 106 LYS NZ :NH3+ 179:sc= 0.86 (180deg=0.624) USER MOD Single : C 107 ASN : amide:sc= -0.965 K(o=-0.96,f=-0.032) USER MOD Single : C 111 TYR OH : rot 180:sc= 0 USER MOD Single : C 118 LYS NZ :NH3+ -122:sc= 1.59 (180deg=-0.788) USER MOD Single : C 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 122 GLN : amide:sc= -2.91! C(o=-2.9!,f=-3.7!) USER MOD Single : C 124 THR OG1 : rot 102:sc= 1.19 USER MOD Single : C 127 THR OG1 : rot 180:sc= 0 USER MOD Single : C 129 THR OG1 : rot 42:sc= 0.869 USER MOD Single : C 137 MET CE :methyl -145:sc= -1.28 (180deg=-3.24!) USER MOD Single : C 138 LYS NZ :NH3+ 176:sc= -0.359 (180deg=-0.575) USER MOD Single : C 142 LYS NZ :NH3+ 168:sc= 1.92 (180deg=1.72) USER MOD Single : C 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 144 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.095) USER MOD Single : C 157 MET CE :methyl -139:sc= -1.46 (180deg=-2.67!) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 8.719 -3.314 -7.906 1.00 0.00 N ATOM 61 CA GLU C 94 8.807 -3.122 -9.408 1.00 0.00 C ATOM 62 C GLU C 94 8.673 -1.646 -9.771 1.00 0.00 C ATOM 63 O GLU C 94 9.385 -1.156 -10.624 1.00 0.00 O ATOM 64 CB GLU C 94 7.631 -3.885 -10.032 1.00 0.00 C ATOM 65 CG GLU C 94 7.769 -5.413 -9.819 1.00 0.00 C ATOM 66 CD GLU C 94 6.668 -6.167 -10.578 1.00 0.00 C ATOM 67 OE1 GLU C 94 5.761 -5.540 -11.083 1.00 0.00 O ATOM 68 OE2 GLU C 94 6.757 -7.356 -10.655 1.00 0.00 O1- ATOM 0 HA GLU C 94 9.768 -3.484 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU C 94 6.696 -3.538 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU C 94 7.580 -3.668 -11.099 1.00 0.00 H new ATOM 0 HG2 GLU C 94 8.748 -5.746 -10.162 1.00 0.00 H new ATOM 0 HG3 GLU C 94 7.708 -5.644 -8.756 1.00 0.00 H new ATOM 75 N GLU C 95 7.786 -0.929 -9.114 1.00 0.00 N ATOM 76 CA GLU C 95 7.605 0.524 -9.448 1.00 0.00 C ATOM 77 C GLU C 95 8.916 1.292 -9.252 1.00 0.00 C ATOM 78 O GLU C 95 9.223 2.215 -10.006 1.00 0.00 O ATOM 79 CB GLU C 95 6.537 1.053 -8.492 1.00 0.00 C ATOM 80 CG GLU C 95 5.182 0.379 -8.785 1.00 0.00 C ATOM 81 CD GLU C 95 4.085 0.992 -7.933 1.00 0.00 C ATOM 82 OE1 GLU C 95 4.386 1.521 -6.877 1.00 0.00 O1- ATOM 83 OE2 GLU C 95 2.980 0.941 -8.338 1.00 0.00 O ATOM 0 H GLU C 95 7.186 -1.283 -8.369 1.00 0.00 H new ATOM 0 HA GLU C 95 7.309 0.652 -10.489 1.00 0.00 H new ATOM 0 HB2 GLU C 95 6.833 0.859 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU C 95 6.445 2.134 -8.599 1.00 0.00 H new ATOM 0 HG2 GLU C 95 4.935 0.490 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU C 95 5.251 -0.690 -8.585 1.00 0.00 H new ATOM 90 N GLU C 96 9.709 0.915 -8.277 1.00 0.00 N ATOM 91 CA GLU C 96 11.028 1.595 -8.085 1.00 0.00 C ATOM 92 C GLU C 96 11.901 1.309 -9.317 1.00 0.00 C ATOM 93 O GLU C 96 12.556 2.202 -9.840 1.00 0.00 O ATOM 94 CB GLU C 96 11.631 0.955 -6.823 1.00 0.00 C ATOM 95 CG GLU C 96 10.716 1.248 -5.602 1.00 0.00 C ATOM 96 CD GLU C 96 10.570 2.757 -5.368 1.00 0.00 C ATOM 97 OE1 GLU C 96 11.448 3.500 -5.750 1.00 0.00 O ATOM 98 OE2 GLU C 96 9.572 3.145 -4.833 1.00 0.00 O1- ATOM 0 H GLU C 96 9.501 0.171 -7.611 1.00 0.00 H new ATOM 0 HA GLU C 96 10.948 2.676 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU C 96 11.735 -0.121 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU C 96 12.631 1.351 -6.644 1.00 0.00 H new ATOM 0 HG2 GLU C 96 9.733 0.806 -5.766 1.00 0.00 H new ATOM 0 HG3 GLU C 96 11.132 0.778 -4.711 1.00 0.00 H new ATOM 105 N LEU C 97 11.812 0.100 -9.853 1.00 0.00 N ATOM 106 CA LEU C 97 12.536 -0.218 -11.121 1.00 0.00 C ATOM 107 C LEU C 97 11.905 0.604 -12.274 1.00 0.00 C ATOM 108 O LEU C 97 12.612 1.138 -13.133 1.00 0.00 O ATOM 109 CB LEU C 97 12.395 -1.784 -11.303 1.00 0.00 C ATOM 110 CG LEU C 97 11.642 -2.184 -12.598 1.00 0.00 C ATOM 111 CD1 LEU C 97 12.588 -2.158 -13.791 1.00 0.00 C ATOM 112 CD2 LEU C 97 11.086 -3.604 -12.439 1.00 0.00 C ATOM 0 H LEU C 97 11.269 -0.669 -9.461 1.00 0.00 H new ATOM 0 HA LEU C 97 13.593 0.048 -11.110 1.00 0.00 H new ATOM 0 HB2 LEU C 97 13.388 -2.233 -11.315 1.00 0.00 H new ATOM 0 HB3 LEU C 97 11.869 -2.197 -10.442 1.00 0.00 H new ATOM 0 HG LEU C 97 10.832 -1.475 -12.767 1.00 0.00 H new ATOM 0 HD11 LEU C 97 12.045 -2.441 -14.692 1.00 0.00 H new ATOM 0 HD12 LEU C 97 12.993 -1.153 -13.912 1.00 0.00 H new ATOM 0 HD13 LEU C 97 13.404 -2.861 -13.624 1.00 0.00 H new ATOM 0 HD21 LEU C 97 10.555 -3.891 -13.347 1.00 0.00 H new ATOM 0 HD22 LEU C 97 11.907 -4.299 -12.264 1.00 0.00 H new ATOM 0 HD23 LEU C 97 10.399 -3.633 -11.593 1.00 0.00 H new ATOM 124 N SER C 98 10.587 0.740 -12.288 1.00 0.00 N ATOM 125 CA SER C 98 9.922 1.549 -13.368 1.00 0.00 C ATOM 126 C SER C 98 10.402 3.004 -13.316 1.00 0.00 C ATOM 127 O SER C 98 10.655 3.614 -14.352 1.00 0.00 O ATOM 128 CB SER C 98 8.413 1.497 -13.058 1.00 0.00 C ATOM 129 OG SER C 98 8.019 0.180 -12.639 1.00 0.00 O ATOM 0 H SER C 98 9.953 0.328 -11.603 1.00 0.00 H new ATOM 0 HA SER C 98 10.155 1.157 -14.358 1.00 0.00 H new ATOM 0 HB2 SER C 98 8.173 2.218 -12.276 1.00 0.00 H new ATOM 0 HB3 SER C 98 7.846 1.786 -13.943 1.00 0.00 H new ATOM 0 HG SER C 98 8.404 -0.485 -13.247 1.00 0.00 H new ATOM 135 N ASP C 99 10.526 3.571 -12.131 1.00 0.00 N ATOM 136 CA ASP C 99 10.998 4.996 -12.033 1.00 0.00 C ATOM 137 C ASP C 99 12.415 5.101 -12.576 1.00 0.00 C ATOM 138 O ASP C 99 12.721 5.974 -13.385 1.00 0.00 O ATOM 139 CB ASP C 99 10.969 5.357 -10.539 1.00 0.00 C ATOM 140 CG ASP C 99 10.095 6.572 -10.362 1.00 0.00 C ATOM 141 OD1 ASP C 99 8.887 6.410 -10.345 1.00 0.00 O1- ATOM 142 OD2 ASP C 99 10.614 7.650 -10.308 1.00 0.00 O ATOM 0 H ASP C 99 10.324 3.116 -11.241 1.00 0.00 H new ATOM 0 HA ASP C 99 10.368 5.672 -12.611 1.00 0.00 H new ATOM 0 HB2 ASP C 99 10.582 4.523 -9.954 1.00 0.00 H new ATOM 0 HB3 ASP C 99 11.977 5.559 -10.178 1.00 0.00 H new ATOM 147 N LEU C 100 13.271 4.180 -12.192 1.00 0.00 N ATOM 148 CA LEU C 100 14.673 4.185 -12.721 1.00 0.00 C ATOM 149 C LEU C 100 14.629 4.003 -14.247 1.00 0.00 C ATOM 150 O LEU C 100 15.332 4.676 -14.982 1.00 0.00 O ATOM 151 CB LEU C 100 15.357 2.986 -12.046 1.00 0.00 C ATOM 152 CG LEU C 100 16.865 3.011 -12.324 1.00 0.00 C ATOM 153 CD1 LEU C 100 17.513 4.157 -11.535 1.00 0.00 C ATOM 154 CD2 LEU C 100 17.490 1.684 -11.885 1.00 0.00 C ATOM 0 H LEU C 100 13.059 3.428 -11.537 1.00 0.00 H new ATOM 0 HA LEU C 100 15.207 5.113 -12.515 1.00 0.00 H new ATOM 0 HB2 LEU C 100 15.177 3.013 -10.971 1.00 0.00 H new ATOM 0 HB3 LEU C 100 14.927 2.056 -12.418 1.00 0.00 H new ATOM 0 HG LEU C 100 17.031 3.159 -13.391 1.00 0.00 H new ATOM 0 HD11 LEU C 100 18.585 4.174 -11.733 1.00 0.00 H new ATOM 0 HD12 LEU C 100 17.072 5.105 -11.842 1.00 0.00 H new ATOM 0 HD13 LEU C 100 17.343 4.006 -10.469 1.00 0.00 H new ATOM 0 HD21 LEU C 100 18.562 1.703 -12.083 1.00 0.00 H new ATOM 0 HD22 LEU C 100 17.321 1.537 -10.818 1.00 0.00 H new ATOM 0 HD23 LEU C 100 17.033 0.865 -12.441 1.00 0.00 H new ATOM 166 N PHE C 101 13.766 3.132 -14.735 1.00 0.00 N ATOM 167 CA PHE C 101 13.633 2.951 -16.220 1.00 0.00 C ATOM 168 C PHE C 101 13.184 4.281 -16.858 1.00 0.00 C ATOM 169 O PHE C 101 13.707 4.694 -17.879 1.00 0.00 O ATOM 170 CB PHE C 101 12.555 1.865 -16.416 1.00 0.00 C ATOM 171 CG PHE C 101 12.496 1.439 -17.872 1.00 0.00 C ATOM 172 CD1 PHE C 101 13.384 0.472 -18.345 1.00 0.00 C ATOM 173 CD2 PHE C 101 11.551 1.999 -18.736 1.00 0.00 C ATOM 174 CE1 PHE C 101 13.333 0.063 -19.682 1.00 0.00 C ATOM 175 CE2 PHE C 101 11.499 1.587 -20.073 1.00 0.00 C ATOM 176 CZ PHE C 101 12.390 0.618 -20.544 1.00 0.00 C ATOM 0 H PHE C 101 13.153 2.544 -14.171 1.00 0.00 H new ATOM 0 HA PHE C 101 14.574 2.660 -16.687 1.00 0.00 H new ATOM 0 HB2 PHE C 101 12.778 1.004 -15.787 1.00 0.00 H new ATOM 0 HB3 PHE C 101 11.583 2.246 -16.102 1.00 0.00 H new ATOM 0 HD1 PHE C 101 14.113 0.038 -17.677 1.00 0.00 H new ATOM 0 HD2 PHE C 101 10.862 2.748 -18.373 1.00 0.00 H new ATOM 0 HE1 PHE C 101 14.024 -0.683 -20.046 1.00 0.00 H new ATOM 0 HE2 PHE C 101 10.769 2.019 -20.742 1.00 0.00 H new ATOM 0 HZ PHE C 101 12.347 0.300 -21.575 1.00 0.00 H new ATOM 186 N ARG C 102 12.227 4.964 -16.239 1.00 0.00 N ATOM 187 CA ARG C 102 11.728 6.284 -16.794 1.00 0.00 C ATOM 188 C ARG C 102 12.901 7.273 -16.937 1.00 0.00 C ATOM 189 O ARG C 102 13.028 7.934 -17.946 1.00 0.00 O ATOM 190 CB ARG C 102 10.733 6.812 -15.733 1.00 0.00 C ATOM 191 CG ARG C 102 9.989 8.047 -16.275 1.00 0.00 C ATOM 192 CD ARG C 102 9.216 8.755 -15.140 1.00 0.00 C ATOM 193 NE ARG C 102 8.266 7.725 -14.574 1.00 0.00 N ATOM 194 CZ ARG C 102 8.299 7.426 -13.282 1.00 0.00 C ATOM 195 NH1 ARG C 102 8.553 8.365 -12.395 1.00 0.00 N ATOM 196 NH2 ARG C 102 8.083 6.194 -12.891 1.00 0.00 N1+ ATOM 0 H ARG C 102 11.772 4.664 -15.377 1.00 0.00 H new ATOM 0 HA ARG C 102 11.270 6.169 -17.776 1.00 0.00 H new ATOM 0 HB2 ARG C 102 10.018 6.032 -15.473 1.00 0.00 H new ATOM 0 HB3 ARG C 102 11.267 7.071 -14.819 1.00 0.00 H new ATOM 0 HG2 ARG C 102 10.701 8.739 -16.725 1.00 0.00 H new ATOM 0 HG3 ARG C 102 9.297 7.746 -17.061 1.00 0.00 H new ATOM 0 HD2 ARG C 102 9.898 9.119 -14.372 1.00 0.00 H new ATOM 0 HD3 ARG C 102 8.672 9.620 -15.520 1.00 0.00 H new ATOM 0 HE ARG C 102 7.598 7.258 -15.187 1.00 0.00 H new ATOM 0 HH11 ARG C 102 8.724 9.323 -12.701 1.00 0.00 H new ATOM 0 HH12 ARG C 102 8.578 8.135 -11.402 1.00 0.00 H new ATOM 0 HH21 ARG C 102 7.890 5.467 -13.580 1.00 0.00 H new ATOM 0 HH22 ARG C 102 8.108 5.962 -11.898 1.00 0.00 H new ATOM 210 N MET C 103 13.774 7.369 -15.951 1.00 0.00 N ATOM 211 CA MET C 103 14.955 8.293 -16.117 1.00 0.00 C ATOM 212 C MET C 103 15.961 7.683 -17.125 1.00 0.00 C ATOM 213 O MET C 103 16.778 8.387 -17.715 1.00 0.00 O ATOM 214 CB MET C 103 15.585 8.519 -14.717 1.00 0.00 C ATOM 215 CG MET C 103 16.183 7.228 -14.145 1.00 0.00 C ATOM 216 SD MET C 103 17.537 7.642 -13.013 1.00 0.00 S ATOM 217 CE MET C 103 18.778 8.064 -14.272 1.00 0.00 C ATOM 0 H MET C 103 13.725 6.865 -15.065 1.00 0.00 H new ATOM 0 HA MET C 103 14.650 9.258 -16.522 1.00 0.00 H new ATOM 0 HB2 MET C 103 16.363 9.280 -14.787 1.00 0.00 H new ATOM 0 HB3 MET C 103 14.826 8.901 -14.035 1.00 0.00 H new ATOM 0 HG2 MET C 103 15.415 6.660 -13.619 1.00 0.00 H new ATOM 0 HG3 MET C 103 16.550 6.595 -14.953 1.00 0.00 H new ATOM 0 HE1 MET C 103 19.731 7.602 -14.013 1.00 0.00 H new ATOM 0 HE2 MET C 103 18.449 7.697 -15.244 1.00 0.00 H new ATOM 0 HE3 MET C 103 18.899 9.146 -14.315 1.00 0.00 H new ATOM 227 N PHE C 104 15.957 6.376 -17.270 1.00 0.00 N ATOM 228 CA PHE C 104 16.921 5.703 -18.186 1.00 0.00 C ATOM 229 C PHE C 104 16.521 5.916 -19.667 1.00 0.00 C ATOM 230 O PHE C 104 17.363 6.354 -20.473 1.00 0.00 O ATOM 231 CB PHE C 104 16.858 4.213 -17.795 1.00 0.00 C ATOM 232 CG PHE C 104 18.210 3.558 -17.964 1.00 0.00 C ATOM 233 CD1 PHE C 104 19.370 4.171 -17.461 1.00 0.00 C ATOM 234 CD2 PHE C 104 18.304 2.332 -18.609 1.00 0.00 C ATOM 235 CE1 PHE C 104 20.609 3.549 -17.615 1.00 0.00 C ATOM 236 CE2 PHE C 104 19.542 1.712 -18.761 1.00 0.00 C ATOM 237 CZ PHE C 104 20.693 2.320 -18.262 1.00 0.00 C ATOM 0 H PHE C 104 15.318 5.746 -16.785 1.00 0.00 H new ATOM 0 HA PHE C 104 17.930 6.105 -18.092 1.00 0.00 H new ATOM 0 HB2 PHE C 104 16.529 4.117 -16.760 1.00 0.00 H new ATOM 0 HB3 PHE C 104 16.121 3.701 -18.413 1.00 0.00 H new ATOM 0 HD1 PHE C 104 19.302 5.123 -16.956 1.00 0.00 H new ATOM 0 HD2 PHE C 104 17.414 1.857 -18.994 1.00 0.00 H new ATOM 0 HE1 PHE C 104 21.502 4.021 -17.233 1.00 0.00 H new ATOM 0 HE2 PHE C 104 19.610 0.760 -19.266 1.00 0.00 H new ATOM 0 HZ PHE C 104 21.652 1.836 -18.378 1.00 0.00 H new ATOM 247 N ASP C 105 15.255 5.660 -20.039 1.00 0.00 N ATOM 248 CA ASP C 105 14.838 5.869 -21.493 1.00 0.00 C ATOM 249 C ASP C 105 14.630 7.356 -21.741 1.00 0.00 C ATOM 250 O ASP C 105 13.685 7.960 -21.260 1.00 0.00 O ATOM 251 CB ASP C 105 13.494 5.132 -21.689 1.00 0.00 C ATOM 252 CG ASP C 105 13.064 5.202 -23.165 1.00 0.00 C ATOM 253 OD1 ASP C 105 13.921 5.126 -24.034 1.00 0.00 O ATOM 254 OD2 ASP C 105 11.908 5.339 -23.415 1.00 0.00 O1- ATOM 0 H ASP C 105 14.519 5.326 -19.417 1.00 0.00 H new ATOM 0 HA ASP C 105 15.597 5.493 -22.179 1.00 0.00 H new ATOM 0 HB2 ASP C 105 13.592 4.091 -21.380 1.00 0.00 H new ATOM 0 HB3 ASP C 105 12.728 5.582 -21.057 1.00 0.00 H new ATOM 259 N LYS C 106 15.540 7.963 -22.420 1.00 0.00 N ATOM 260 CA LYS C 106 15.466 9.453 -22.635 1.00 0.00 C ATOM 261 C LYS C 106 14.715 9.801 -23.902 1.00 0.00 C ATOM 262 O LYS C 106 14.136 10.862 -23.997 1.00 0.00 O ATOM 263 CB LYS C 106 16.915 9.882 -22.727 1.00 0.00 C ATOM 264 CG LYS C 106 17.555 9.519 -21.402 1.00 0.00 C ATOM 265 CD LYS C 106 19.032 9.878 -21.386 1.00 0.00 C ATOM 266 CE LYS C 106 19.684 9.368 -20.076 1.00 0.00 C ATOM 267 NZ LYS C 106 19.521 7.858 -20.055 1.00 0.00 N1+ ATOM 0 H LYS C 106 16.346 7.506 -22.847 1.00 0.00 H new ATOM 0 HA LYS C 106 14.925 9.957 -21.834 1.00 0.00 H new ATOM 0 HB2 LYS C 106 17.418 9.377 -23.552 1.00 0.00 H new ATOM 0 HB3 LYS C 106 16.992 10.953 -22.915 1.00 0.00 H new ATOM 0 HG2 LYS C 106 17.043 10.040 -20.593 1.00 0.00 H new ATOM 0 HG3 LYS C 106 17.436 8.451 -21.219 1.00 0.00 H new ATOM 0 HD2 LYS C 106 19.532 9.436 -22.248 1.00 0.00 H new ATOM 0 HD3 LYS C 106 19.154 10.958 -21.467 1.00 0.00 H new ATOM 0 HE2 LYS C 106 20.738 9.642 -20.038 1.00 0.00 H new ATOM 0 HE3 LYS C 106 19.206 9.819 -19.207 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 19.962 7.473 -19.196 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 18.509 7.618 -20.062 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 19.980 7.448 -20.893 1.00 0.00 H new ATOM 281 N ASN C 107 14.720 8.936 -24.890 1.00 0.00 N ATOM 282 CA ASN C 107 13.980 9.271 -26.144 1.00 0.00 C ATOM 283 C ASN C 107 12.471 8.947 -25.984 1.00 0.00 C ATOM 284 O ASN C 107 11.709 9.133 -26.910 1.00 0.00 O ATOM 285 CB ASN C 107 14.600 8.416 -27.265 1.00 0.00 C ATOM 286 CG ASN C 107 14.189 8.970 -28.636 1.00 0.00 C ATOM 287 OD1 ASN C 107 14.712 9.971 -29.074 1.00 0.00 O ATOM 288 ND2 ASN C 107 13.272 8.369 -29.332 1.00 0.00 N ATOM 0 H ASN C 107 15.194 8.033 -24.883 1.00 0.00 H new ATOM 0 HA ASN C 107 14.060 10.333 -26.375 1.00 0.00 H new ATOM 0 HB2 ASN C 107 15.686 8.415 -27.175 1.00 0.00 H new ATOM 0 HB3 ASN C 107 14.271 7.381 -27.168 1.00 0.00 H new ATOM 0 HD21 ASN C 107 12.996 8.740 -30.241 1.00 0.00 H new ATOM 0 HD22 ASN C 107 12.827 7.526 -28.969 1.00 0.00 H new ATOM 295 N ALA C 108 12.049 8.416 -24.821 1.00 0.00 N ATOM 296 CA ALA C 108 10.599 8.032 -24.581 1.00 0.00 C ATOM 297 C ALA C 108 10.122 7.021 -25.647 1.00 0.00 C ATOM 298 O ALA C 108 8.943 6.965 -25.971 1.00 0.00 O ATOM 299 CB ALA C 108 9.788 9.341 -24.663 1.00 0.00 C ATOM 0 H ALA C 108 12.664 8.235 -24.027 1.00 0.00 H new ATOM 0 HA ALA C 108 10.470 7.551 -23.611 1.00 0.00 H new ATOM 0 HB1 ALA C 108 8.732 9.126 -24.497 1.00 0.00 H new ATOM 0 HB2 ALA C 108 10.141 10.036 -23.901 1.00 0.00 H new ATOM 0 HB3 ALA C 108 9.917 9.788 -25.649 1.00 0.00 H new ATOM 305 N ASP C 109 11.016 6.192 -26.151 1.00 0.00 N ATOM 306 CA ASP C 109 10.608 5.150 -27.159 1.00 0.00 C ATOM 307 C ASP C 109 10.231 3.817 -26.459 1.00 0.00 C ATOM 308 O ASP C 109 9.814 2.876 -27.113 1.00 0.00 O ATOM 309 CB ASP C 109 11.839 4.953 -28.085 1.00 0.00 C ATOM 310 CG ASP C 109 13.012 4.382 -27.320 1.00 0.00 C ATOM 311 OD1 ASP C 109 13.748 5.139 -26.726 1.00 0.00 O1- ATOM 312 OD2 ASP C 109 13.175 3.211 -27.325 1.00 0.00 O ATOM 0 H ASP C 109 12.007 6.192 -25.909 1.00 0.00 H new ATOM 0 HA ASP C 109 9.728 5.465 -27.721 1.00 0.00 H new ATOM 0 HB2 ASP C 109 11.577 4.285 -28.906 1.00 0.00 H new ATOM 0 HB3 ASP C 109 12.121 5.908 -28.528 1.00 0.00 H new ATOM 317 N GLY C 110 10.382 3.722 -25.150 1.00 0.00 N ATOM 318 CA GLY C 110 10.019 2.457 -24.435 1.00 0.00 C ATOM 319 C GLY C 110 11.244 1.538 -24.294 1.00 0.00 C ATOM 320 O GLY C 110 11.234 0.618 -23.489 1.00 0.00 O ATOM 0 H GLY C 110 10.740 4.467 -24.553 1.00 0.00 H new ATOM 0 HA2 GLY C 110 9.621 2.693 -23.448 1.00 0.00 H new ATOM 0 HA3 GLY C 110 9.231 1.939 -24.981 1.00 0.00 H new ATOM 324 N TYR C 111 12.299 1.759 -25.065 1.00 0.00 N ATOM 325 CA TYR C 111 13.511 0.882 -24.965 1.00 0.00 C ATOM 326 C TYR C 111 14.711 1.729 -24.583 1.00 0.00 C ATOM 327 O TYR C 111 14.840 2.915 -25.007 1.00 0.00 O ATOM 328 CB TYR C 111 13.753 0.305 -26.366 1.00 0.00 C ATOM 329 CG TYR C 111 12.535 -0.433 -26.865 1.00 0.00 C ATOM 330 CD1 TYR C 111 12.350 -1.777 -26.538 1.00 0.00 C ATOM 331 CD2 TYR C 111 11.590 0.235 -27.655 1.00 0.00 C ATOM 332 CE1 TYR C 111 11.223 -2.454 -27.002 1.00 0.00 C ATOM 333 CE2 TYR C 111 10.464 -0.442 -28.118 1.00 0.00 C ATOM 334 CZ TYR C 111 10.276 -1.788 -27.790 1.00 0.00 C ATOM 335 OH TYR C 111 9.163 -2.455 -28.244 1.00 0.00 O ATOM 0 H TYR C 111 12.365 2.508 -25.754 1.00 0.00 H new ATOM 0 HA TYR C 111 13.368 0.098 -24.221 1.00 0.00 H new ATOM 0 HB2 TYR C 111 14.003 1.110 -27.057 1.00 0.00 H new ATOM 0 HB3 TYR C 111 14.608 -0.371 -26.342 1.00 0.00 H new ATOM 0 HD1 TYR C 111 13.078 -2.291 -25.927 1.00 0.00 H new ATOM 0 HD2 TYR C 111 11.735 1.276 -27.905 1.00 0.00 H new ATOM 0 HE1 TYR C 111 11.080 -3.495 -26.753 1.00 0.00 H new ATOM 0 HE2 TYR C 111 9.737 0.072 -28.729 1.00 0.00 H new ATOM 0 HH TYR C 111 8.610 -1.845 -28.775 1.00 0.00 H new ATOM 345 N ILE C 112 15.649 1.147 -23.900 1.00 0.00 N ATOM 346 CA ILE C 112 16.879 1.892 -23.565 1.00 0.00 C ATOM 347 C ILE C 112 17.803 1.804 -24.789 1.00 0.00 C ATOM 348 O ILE C 112 17.977 0.739 -25.391 1.00 0.00 O ATOM 349 CB ILE C 112 17.507 1.177 -22.340 1.00 0.00 C ATOM 350 CG1 ILE C 112 16.453 0.973 -21.216 1.00 0.00 C ATOM 351 CG2 ILE C 112 18.644 2.039 -21.791 1.00 0.00 C ATOM 352 CD1 ILE C 112 15.740 2.300 -20.902 1.00 0.00 C ATOM 0 H ILE C 112 15.614 0.186 -23.560 1.00 0.00 H new ATOM 0 HA ILE C 112 16.701 2.940 -23.325 1.00 0.00 H new ATOM 0 HB ILE C 112 17.877 0.203 -22.659 1.00 0.00 H new ATOM 0 HG12 ILE C 112 15.723 0.225 -21.525 1.00 0.00 H new ATOM 0 HG13 ILE C 112 16.939 0.592 -20.318 1.00 0.00 H new ATOM 0 HG21 ILE C 112 19.092 1.544 -20.929 1.00 0.00 H new ATOM 0 HG22 ILE C 112 19.401 2.178 -22.563 1.00 0.00 H new ATOM 0 HG23 ILE C 112 18.251 3.010 -21.489 1.00 0.00 H new ATOM 0 HD11 ILE C 112 15.005 2.140 -20.113 1.00 0.00 H new ATOM 0 HD12 ILE C 112 16.472 3.037 -20.572 1.00 0.00 H new ATOM 0 HD13 ILE C 112 15.237 2.664 -21.798 1.00 0.00 H new ATOM 364 N ASP C 113 18.294 2.927 -25.206 1.00 0.00 N ATOM 365 CA ASP C 113 19.137 3.031 -26.440 1.00 0.00 C ATOM 366 C ASP C 113 20.592 3.197 -26.038 1.00 0.00 C ATOM 367 O ASP C 113 20.889 3.643 -24.931 1.00 0.00 O ATOM 368 CB ASP C 113 18.637 4.305 -27.153 1.00 0.00 C ATOM 369 CG ASP C 113 17.230 4.093 -27.676 1.00 0.00 C ATOM 370 OD1 ASP C 113 16.282 4.144 -26.885 1.00 0.00 O1- ATOM 371 OD2 ASP C 113 17.094 3.855 -28.846 1.00 0.00 O ATOM 0 H ASP C 113 18.145 3.817 -24.730 1.00 0.00 H new ATOM 0 HA ASP C 113 19.064 2.150 -27.078 1.00 0.00 H new ATOM 0 HB2 ASP C 113 18.653 5.148 -26.462 1.00 0.00 H new ATOM 0 HB3 ASP C 113 19.305 4.556 -27.977 1.00 0.00 H new ATOM 376 N LEU C 114 21.516 2.887 -26.932 1.00 0.00 N ATOM 377 CA LEU C 114 22.987 3.055 -26.595 1.00 0.00 C ATOM 378 C LEU C 114 23.247 4.483 -26.119 1.00 0.00 C ATOM 379 O LEU C 114 23.868 4.694 -25.092 1.00 0.00 O ATOM 380 CB LEU C 114 23.763 2.831 -27.921 1.00 0.00 C ATOM 381 CG LEU C 114 23.558 1.403 -28.448 1.00 0.00 C ATOM 382 CD1 LEU C 114 24.241 1.252 -29.807 1.00 0.00 C ATOM 383 CD2 LEU C 114 24.191 0.415 -27.480 1.00 0.00 C ATOM 0 H LEU C 114 21.323 2.530 -27.868 1.00 0.00 H new ATOM 0 HA LEU C 114 23.293 2.360 -25.813 1.00 0.00 H new ATOM 0 HB2 LEU C 114 23.427 3.549 -28.668 1.00 0.00 H new ATOM 0 HB3 LEU C 114 24.825 3.013 -27.759 1.00 0.00 H new ATOM 0 HG LEU C 114 22.490 1.209 -28.545 1.00 0.00 H new ATOM 0 HD11 LEU C 114 24.093 0.238 -30.178 1.00 0.00 H new ATOM 0 HD12 LEU C 114 23.809 1.962 -30.512 1.00 0.00 H new ATOM 0 HD13 LEU C 114 25.308 1.448 -29.702 1.00 0.00 H new ATOM 0 HD21 LEU C 114 24.048 -0.600 -27.850 1.00 0.00 H new ATOM 0 HD22 LEU C 114 25.258 0.623 -27.394 1.00 0.00 H new ATOM 0 HD23 LEU C 114 23.722 0.513 -26.501 1.00 0.00 H new ATOM 395 N ASP C 115 22.757 5.468 -26.839 1.00 0.00 N ATOM 396 CA ASP C 115 22.968 6.882 -26.395 1.00 0.00 C ATOM 397 C ASP C 115 22.283 7.132 -25.050 1.00 0.00 C ATOM 398 O ASP C 115 22.864 7.730 -24.162 1.00 0.00 O ATOM 399 CB ASP C 115 22.398 7.798 -27.497 1.00 0.00 C ATOM 400 CG ASP C 115 23.270 7.769 -28.769 1.00 0.00 C ATOM 401 OD1 ASP C 115 24.370 7.233 -28.743 1.00 0.00 O1- ATOM 402 OD2 ASP C 115 22.829 8.299 -29.750 1.00 0.00 O ATOM 0 H ASP C 115 22.227 5.355 -27.703 1.00 0.00 H new ATOM 0 HA ASP C 115 24.028 7.089 -26.249 1.00 0.00 H new ATOM 0 HB2 ASP C 115 21.384 7.483 -27.743 1.00 0.00 H new ATOM 0 HB3 ASP C 115 22.333 8.820 -27.123 1.00 0.00 H new ATOM 407 N GLU C 116 21.085 6.596 -24.841 1.00 0.00 N ATOM 408 CA GLU C 116 20.412 6.766 -23.497 1.00 0.00 C ATOM 409 C GLU C 116 21.294 6.132 -22.403 1.00 0.00 C ATOM 410 O GLU C 116 21.432 6.703 -21.303 1.00 0.00 O ATOM 411 CB GLU C 116 19.077 6.012 -23.603 1.00 0.00 C ATOM 412 CG GLU C 116 18.138 6.719 -24.621 1.00 0.00 C ATOM 413 CD GLU C 116 16.800 5.989 -24.745 1.00 0.00 C ATOM 414 OE1 GLU C 116 16.651 4.921 -24.262 1.00 0.00 O ATOM 415 OE2 GLU C 116 15.931 6.479 -25.357 1.00 0.00 O1- ATOM 0 H GLU C 116 20.557 6.060 -25.529 1.00 0.00 H new ATOM 0 HA GLU C 116 20.259 7.814 -23.241 1.00 0.00 H new ATOM 0 HB2 GLU C 116 19.256 4.984 -23.917 1.00 0.00 H new ATOM 0 HB3 GLU C 116 18.598 5.968 -22.625 1.00 0.00 H new ATOM 0 HG2 GLU C 116 17.965 7.748 -24.305 1.00 0.00 H new ATOM 0 HG3 GLU C 116 18.623 6.762 -25.596 1.00 0.00 H new ATOM 422 N LEU C 117 21.923 5.003 -22.694 1.00 0.00 N ATOM 423 CA LEU C 117 22.885 4.386 -21.705 1.00 0.00 C ATOM 424 C LEU C 117 24.131 5.296 -21.620 1.00 0.00 C ATOM 425 O LEU C 117 24.634 5.605 -20.547 1.00 0.00 O ATOM 426 CB LEU C 117 23.306 3.035 -22.353 1.00 0.00 C ATOM 427 CG LEU C 117 22.137 2.030 -22.370 1.00 0.00 C ATOM 428 CD1 LEU C 117 22.378 0.985 -23.465 1.00 0.00 C ATOM 429 CD2 LEU C 117 22.072 1.309 -21.023 1.00 0.00 C ATOM 0 H LEU C 117 21.812 4.487 -23.567 1.00 0.00 H new ATOM 0 HA LEU C 117 22.454 4.260 -20.712 1.00 0.00 H new ATOM 0 HB2 LEU C 117 23.651 3.211 -23.372 1.00 0.00 H new ATOM 0 HB3 LEU C 117 24.144 2.611 -21.801 1.00 0.00 H new ATOM 0 HG LEU C 117 21.206 2.565 -22.559 1.00 0.00 H new ATOM 0 HD11 LEU C 117 21.552 0.274 -23.478 1.00 0.00 H new ATOM 0 HD12 LEU C 117 22.445 1.481 -24.433 1.00 0.00 H new ATOM 0 HD13 LEU C 117 23.309 0.455 -23.264 1.00 0.00 H new ATOM 0 HD21 LEU C 117 21.247 0.597 -21.031 1.00 0.00 H new ATOM 0 HD22 LEU C 117 23.008 0.778 -20.849 1.00 0.00 H new ATOM 0 HD23 LEU C 117 21.915 2.038 -20.228 1.00 0.00 H new ATOM 441 N LYS C 118 24.614 5.710 -22.767 1.00 0.00 N ATOM 442 CA LYS C 118 25.846 6.560 -22.868 1.00 0.00 C ATOM 443 C LYS C 118 25.679 7.886 -22.125 1.00 0.00 C ATOM 444 O LYS C 118 26.526 8.269 -21.337 1.00 0.00 O ATOM 445 CB LYS C 118 25.935 6.836 -24.376 1.00 0.00 C ATOM 446 CG LYS C 118 27.204 7.595 -24.733 1.00 0.00 C ATOM 447 CD LYS C 118 27.039 8.181 -26.139 1.00 0.00 C ATOM 448 CE LYS C 118 26.982 7.028 -27.174 1.00 0.00 C ATOM 449 NZ LYS C 118 27.166 7.656 -28.505 1.00 0.00 N1+ ATOM 0 H LYS C 118 24.191 5.486 -23.668 1.00 0.00 H new ATOM 0 HA LYS C 118 26.723 6.077 -22.437 1.00 0.00 H new ATOM 0 HB2 LYS C 118 25.909 5.892 -24.921 1.00 0.00 H new ATOM 0 HB3 LYS C 118 25.065 7.411 -24.693 1.00 0.00 H new ATOM 0 HG2 LYS C 118 27.386 8.390 -24.010 1.00 0.00 H new ATOM 0 HG3 LYS C 118 28.066 6.929 -24.699 1.00 0.00 H new ATOM 0 HD2 LYS C 118 26.128 8.777 -26.192 1.00 0.00 H new ATOM 0 HD3 LYS C 118 27.870 8.848 -26.367 1.00 0.00 H new ATOM 0 HE2 LYS C 118 27.762 6.292 -26.980 1.00 0.00 H new ATOM 0 HE3 LYS C 118 26.028 6.503 -27.120 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 26.348 7.437 -29.108 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 27.248 8.687 -28.394 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 28.031 7.285 -28.947 1.00 0.00 H new ATOM 463 N ILE C 119 24.623 8.603 -22.402 1.00 0.00 N ATOM 464 CA ILE C 119 24.435 9.952 -21.776 1.00 0.00 C ATOM 465 C ILE C 119 24.381 9.845 -20.248 1.00 0.00 C ATOM 466 O ILE C 119 24.974 10.653 -19.557 1.00 0.00 O ATOM 467 CB ILE C 119 23.131 10.525 -22.391 1.00 0.00 C ATOM 468 CG1 ILE C 119 23.336 10.697 -23.908 1.00 0.00 C ATOM 469 CG2 ILE C 119 22.806 11.895 -21.783 1.00 0.00 C ATOM 470 CD1 ILE C 119 22.024 11.090 -24.568 1.00 0.00 C ATOM 0 H ILE C 119 23.878 8.315 -23.036 1.00 0.00 H new ATOM 0 HA ILE C 119 25.271 10.621 -21.980 1.00 0.00 H new ATOM 0 HB ILE C 119 22.309 9.839 -22.184 1.00 0.00 H new ATOM 0 HG12 ILE C 119 24.091 11.460 -24.097 1.00 0.00 H new ATOM 0 HG13 ILE C 119 23.707 9.768 -24.341 1.00 0.00 H new ATOM 0 HG21 ILE C 119 21.888 12.281 -22.226 1.00 0.00 H new ATOM 0 HG22 ILE C 119 22.674 11.793 -20.706 1.00 0.00 H new ATOM 0 HG23 ILE C 119 23.625 12.586 -21.984 1.00 0.00 H new ATOM 0 HD11 ILE C 119 22.178 11.210 -25.640 1.00 0.00 H new ATOM 0 HD12 ILE C 119 21.281 10.312 -24.392 1.00 0.00 H new ATOM 0 HD13 ILE C 119 21.671 12.031 -24.145 1.00 0.00 H new ATOM 482 N MET C 120 23.729 8.831 -19.701 1.00 0.00 N ATOM 483 CA MET C 120 23.737 8.714 -18.205 1.00 0.00 C ATOM 484 C MET C 120 25.175 8.453 -17.732 1.00 0.00 C ATOM 485 O MET C 120 25.647 9.077 -16.802 1.00 0.00 O ATOM 486 CB MET C 120 22.823 7.528 -17.843 1.00 0.00 C ATOM 487 CG MET C 120 22.538 7.568 -16.333 1.00 0.00 C ATOM 488 SD MET C 120 21.567 6.125 -15.855 1.00 0.00 S ATOM 489 CE MET C 120 22.882 5.246 -14.971 1.00 0.00 C ATOM 0 H MET C 120 23.214 8.110 -20.206 1.00 0.00 H new ATOM 0 HA MET C 120 23.380 9.625 -17.725 1.00 0.00 H new ATOM 0 HB2 MET C 120 21.891 7.584 -18.405 1.00 0.00 H new ATOM 0 HB3 MET C 120 23.301 6.586 -18.112 1.00 0.00 H new ATOM 0 HG2 MET C 120 23.475 7.587 -15.777 1.00 0.00 H new ATOM 0 HG3 MET C 120 21.999 8.481 -16.080 1.00 0.00 H new ATOM 0 HE1 MET C 120 22.493 4.305 -14.583 1.00 0.00 H new ATOM 0 HE2 MET C 120 23.707 5.044 -15.654 1.00 0.00 H new ATOM 0 HE3 MET C 120 23.238 5.860 -14.144 1.00 0.00 H new ATOM 499 N LEU C 121 25.890 7.571 -18.401 1.00 0.00 N ATOM 500 CA LEU C 121 27.323 7.299 -18.015 1.00 0.00 C ATOM 501 C LEU C 121 28.144 8.598 -18.194 1.00 0.00 C ATOM 502 O LEU C 121 28.920 8.985 -17.328 1.00 0.00 O ATOM 503 CB LEU C 121 27.784 6.213 -19.023 1.00 0.00 C ATOM 504 CG LEU C 121 29.173 5.666 -18.655 1.00 0.00 C ATOM 505 CD1 LEU C 121 29.057 4.722 -17.458 1.00 0.00 C ATOM 506 CD2 LEU C 121 29.754 4.889 -19.844 1.00 0.00 C ATOM 0 H LEU C 121 25.547 7.029 -19.194 1.00 0.00 H new ATOM 0 HA LEU C 121 27.446 6.975 -16.982 1.00 0.00 H new ATOM 0 HB2 LEU C 121 27.061 5.397 -19.038 1.00 0.00 H new ATOM 0 HB3 LEU C 121 27.811 6.634 -20.028 1.00 0.00 H new ATOM 0 HG LEU C 121 29.826 6.501 -18.404 1.00 0.00 H new ATOM 0 HD11 LEU C 121 30.044 4.337 -17.201 1.00 0.00 H new ATOM 0 HD12 LEU C 121 28.646 5.263 -16.606 1.00 0.00 H new ATOM 0 HD13 LEU C 121 28.398 3.891 -17.712 1.00 0.00 H new ATOM 0 HD21 LEU C 121 30.738 4.503 -19.580 1.00 0.00 H new ATOM 0 HD22 LEU C 121 29.093 4.059 -20.094 1.00 0.00 H new ATOM 0 HD23 LEU C 121 29.843 5.553 -20.704 1.00 0.00 H new ATOM 518 N GLN C 122 27.934 9.302 -19.287 1.00 0.00 N ATOM 519 CA GLN C 122 28.648 10.608 -19.512 1.00 0.00 C ATOM 520 C GLN C 122 28.234 11.648 -18.457 1.00 0.00 C ATOM 521 O GLN C 122 29.061 12.396 -17.983 1.00 0.00 O ATOM 522 CB GLN C 122 28.244 11.074 -20.923 1.00 0.00 C ATOM 523 CG GLN C 122 28.826 10.120 -21.987 1.00 0.00 C ATOM 524 CD GLN C 122 28.339 10.532 -23.387 1.00 0.00 C ATOM 525 OE1 GLN C 122 27.318 11.181 -23.531 1.00 0.00 O ATOM 526 NE2 GLN C 122 29.015 10.180 -24.432 1.00 0.00 N ATOM 0 H GLN C 122 27.297 9.028 -20.035 1.00 0.00 H new ATOM 0 HA GLN C 122 29.728 10.489 -19.425 1.00 0.00 H new ATOM 0 HB2 GLN C 122 27.158 11.104 -21.007 1.00 0.00 H new ATOM 0 HB3 GLN C 122 28.605 12.088 -21.096 1.00 0.00 H new ATOM 0 HG2 GLN C 122 29.915 10.143 -21.951 1.00 0.00 H new ATOM 0 HG3 GLN C 122 28.521 9.095 -21.774 1.00 0.00 H new ATOM 0 HE21 GLN C 122 29.872 9.637 -24.326 1.00 0.00 H new ATOM 0 HE22 GLN C 122 28.691 10.446 -25.362 1.00 0.00 H new ATOM 535 N ALA C 123 26.969 11.666 -18.052 1.00 0.00 N ATOM 536 CA ALA C 123 26.528 12.648 -16.994 1.00 0.00 C ATOM 537 C ALA C 123 27.194 12.266 -15.686 1.00 0.00 C ATOM 538 O ALA C 123 27.699 13.106 -14.962 1.00 0.00 O ATOM 539 CB ALA C 123 24.999 12.491 -16.877 1.00 0.00 C ATOM 0 H ALA C 123 26.236 11.051 -18.405 1.00 0.00 H new ATOM 0 HA ALA C 123 26.795 13.676 -17.237 1.00 0.00 H new ATOM 0 HB1 ALA C 123 24.619 13.180 -16.122 1.00 0.00 H new ATOM 0 HB2 ALA C 123 24.536 12.714 -17.838 1.00 0.00 H new ATOM 0 HB3 ALA C 123 24.759 11.468 -16.588 1.00 0.00 H new ATOM 545 N THR C 124 27.234 10.987 -15.409 1.00 0.00 N ATOM 546 CA THR C 124 27.920 10.467 -14.186 1.00 0.00 C ATOM 547 C THR C 124 29.429 10.844 -14.262 1.00 0.00 C ATOM 548 O THR C 124 30.028 11.256 -13.276 1.00 0.00 O ATOM 549 CB THR C 124 27.691 8.941 -14.266 1.00 0.00 C ATOM 550 OG1 THR C 124 26.287 8.678 -14.415 1.00 0.00 O ATOM 551 CG2 THR C 124 28.153 8.290 -13.000 1.00 0.00 C ATOM 0 H THR C 124 26.810 10.265 -15.992 1.00 0.00 H new ATOM 0 HA THR C 124 27.549 10.874 -13.245 1.00 0.00 H new ATOM 0 HB THR C 124 28.248 8.546 -15.115 1.00 0.00 H new ATOM 0 HG1 THR C 124 26.091 8.470 -15.352 1.00 0.00 H new ATOM 0 HG21 THR C 124 27.989 7.214 -13.063 1.00 0.00 H new ATOM 0 HG22 THR C 124 29.215 8.487 -12.856 1.00 0.00 H new ATOM 0 HG23 THR C 124 27.592 8.694 -12.157 1.00 0.00 H new ATOM 559 N GLY C 125 30.022 10.770 -15.439 1.00 0.00 N ATOM 560 CA GLY C 125 31.452 11.188 -15.602 1.00 0.00 C ATOM 561 C GLY C 125 32.403 10.092 -15.106 1.00 0.00 C ATOM 562 O GLY C 125 33.463 10.394 -14.575 1.00 0.00 O ATOM 0 H GLY C 125 29.572 10.437 -16.292 1.00 0.00 H new ATOM 0 HA2 GLY C 125 31.655 11.403 -16.651 1.00 0.00 H new ATOM 0 HA3 GLY C 125 31.631 12.109 -15.047 1.00 0.00 H new ATOM 566 N GLU C 126 32.064 8.829 -15.295 1.00 0.00 N ATOM 567 CA GLU C 126 32.989 7.719 -14.848 1.00 0.00 C ATOM 568 C GLU C 126 34.047 7.463 -15.960 1.00 0.00 C ATOM 569 O GLU C 126 35.080 8.124 -16.003 1.00 0.00 O ATOM 570 CB GLU C 126 32.068 6.494 -14.666 1.00 0.00 C ATOM 571 CG GLU C 126 31.007 6.779 -13.607 1.00 0.00 C ATOM 572 CD GLU C 126 30.053 5.611 -13.567 1.00 0.00 C ATOM 573 OE1 GLU C 126 29.213 5.544 -14.440 1.00 0.00 O1- ATOM 574 OE2 GLU C 126 30.185 4.788 -12.691 1.00 0.00 O ATOM 0 H GLU C 126 31.197 8.520 -15.734 1.00 0.00 H new ATOM 0 HA GLU C 126 33.532 7.949 -13.931 1.00 0.00 H new ATOM 0 HB2 GLU C 126 31.588 6.248 -15.613 1.00 0.00 H new ATOM 0 HB3 GLU C 126 32.660 5.627 -14.373 1.00 0.00 H new ATOM 0 HG2 GLU C 126 31.473 6.923 -12.632 1.00 0.00 H new ATOM 0 HG3 GLU C 126 30.472 7.699 -13.843 1.00 0.00 H new ATOM 581 N THR C 127 33.765 6.583 -16.897 1.00 0.00 N ATOM 582 CA THR C 127 34.686 6.359 -18.061 1.00 0.00 C ATOM 583 C THR C 127 33.792 6.216 -19.308 1.00 0.00 C ATOM 584 O THR C 127 32.814 5.489 -19.266 1.00 0.00 O ATOM 585 CB THR C 127 35.391 5.017 -17.753 1.00 0.00 C ATOM 586 OG1 THR C 127 35.871 5.011 -16.396 1.00 0.00 O ATOM 587 CG2 THR C 127 36.583 4.821 -18.697 1.00 0.00 C ATOM 0 H THR C 127 32.925 6.004 -16.904 1.00 0.00 H new ATOM 0 HA THR C 127 35.411 7.156 -18.223 1.00 0.00 H new ATOM 0 HB THR C 127 34.672 4.210 -17.893 1.00 0.00 H new ATOM 0 HG1 THR C 127 36.314 4.157 -16.210 1.00 0.00 H new ATOM 0 HG21 THR C 127 37.073 3.874 -18.472 1.00 0.00 H new ATOM 0 HG22 THR C 127 36.232 4.813 -19.729 1.00 0.00 H new ATOM 0 HG23 THR C 127 37.292 5.637 -18.562 1.00 0.00 H new ATOM 595 N ILE C 128 34.090 6.893 -20.384 1.00 0.00 N ATOM 596 CA ILE C 128 33.226 6.769 -21.609 1.00 0.00 C ATOM 597 C ILE C 128 34.100 6.278 -22.781 1.00 0.00 C ATOM 598 O ILE C 128 35.062 6.952 -23.164 1.00 0.00 O ATOM 599 CB ILE C 128 32.722 8.218 -21.897 1.00 0.00 C ATOM 600 CG1 ILE C 128 32.108 8.870 -20.625 1.00 0.00 C ATOM 601 CG2 ILE C 128 31.652 8.181 -22.997 1.00 0.00 C ATOM 602 CD1 ILE C 128 30.952 8.019 -20.092 1.00 0.00 C ATOM 0 H ILE C 128 34.887 7.524 -20.475 1.00 0.00 H new ATOM 0 HA ILE C 128 32.400 6.070 -21.478 1.00 0.00 H new ATOM 0 HB ILE C 128 33.579 8.812 -22.215 1.00 0.00 H new ATOM 0 HG12 ILE C 128 32.874 8.975 -19.857 1.00 0.00 H new ATOM 0 HG13 ILE C 128 31.751 9.873 -20.859 1.00 0.00 H new ATOM 0 HG21 ILE C 128 31.301 9.193 -23.197 1.00 0.00 H new ATOM 0 HG22 ILE C 128 32.080 7.759 -23.906 1.00 0.00 H new ATOM 0 HG23 ILE C 128 30.815 7.565 -22.670 1.00 0.00 H new ATOM 0 HD11 ILE C 128 30.534 8.490 -19.202 1.00 0.00 H new ATOM 0 HD12 ILE C 128 30.179 7.936 -20.856 1.00 0.00 H new ATOM 0 HD13 ILE C 128 31.319 7.025 -19.838 1.00 0.00 H new ATOM 614 N THR C 129 33.769 5.166 -23.383 1.00 0.00 N ATOM 615 CA THR C 129 34.562 4.683 -24.570 1.00 0.00 C ATOM 616 C THR C 129 33.650 4.330 -25.788 1.00 0.00 C ATOM 617 O THR C 129 34.145 3.860 -26.803 1.00 0.00 O ATOM 618 CB THR C 129 35.382 3.459 -24.084 1.00 0.00 C ATOM 619 OG1 THR C 129 34.707 2.763 -23.024 1.00 0.00 O ATOM 620 CG2 THR C 129 36.757 3.918 -23.578 1.00 0.00 C ATOM 0 H THR C 129 32.988 4.568 -23.111 1.00 0.00 H new ATOM 0 HA THR C 129 35.222 5.471 -24.934 1.00 0.00 H new ATOM 0 HB THR C 129 35.497 2.782 -24.930 1.00 0.00 H new ATOM 0 HG1 THR C 129 33.752 2.696 -23.233 1.00 0.00 H new ATOM 0 HG21 THR C 129 37.327 3.053 -23.238 1.00 0.00 H new ATOM 0 HG22 THR C 129 37.295 4.413 -24.386 1.00 0.00 H new ATOM 0 HG23 THR C 129 36.626 4.614 -22.750 1.00 0.00 H new ATOM 628 N GLU C 130 32.333 4.571 -25.700 1.00 0.00 N ATOM 629 CA GLU C 130 31.356 4.270 -26.834 1.00 0.00 C ATOM 630 C GLU C 130 31.200 2.748 -27.057 1.00 0.00 C ATOM 631 O GLU C 130 30.094 2.220 -26.962 1.00 0.00 O ATOM 632 CB GLU C 130 31.903 4.995 -28.092 1.00 0.00 C ATOM 633 CG GLU C 130 31.852 6.530 -27.870 1.00 0.00 C ATOM 634 CD GLU C 130 30.412 6.977 -27.650 1.00 0.00 C ATOM 635 OE1 GLU C 130 29.584 6.672 -28.493 1.00 0.00 O ATOM 636 OE2 GLU C 130 30.147 7.601 -26.650 1.00 0.00 O1- ATOM 0 H GLU C 130 31.892 4.971 -24.872 1.00 0.00 H new ATOM 0 HA GLU C 130 30.355 4.629 -26.596 1.00 0.00 H new ATOM 0 HB2 GLU C 130 32.927 4.680 -28.290 1.00 0.00 H new ATOM 0 HB3 GLU C 130 31.312 4.724 -28.967 1.00 0.00 H new ATOM 0 HG2 GLU C 130 32.461 6.802 -27.008 1.00 0.00 H new ATOM 0 HG3 GLU C 130 32.273 7.045 -28.733 1.00 0.00 H new ATOM 643 N ASP C 131 32.276 2.035 -27.319 1.00 0.00 N ATOM 644 CA ASP C 131 32.171 0.538 -27.511 1.00 0.00 C ATOM 645 C ASP C 131 31.648 -0.132 -26.218 1.00 0.00 C ATOM 646 O ASP C 131 30.940 -1.123 -26.280 1.00 0.00 O ATOM 647 CB ASP C 131 33.597 0.018 -27.873 1.00 0.00 C ATOM 648 CG ASP C 131 34.530 0.045 -26.663 1.00 0.00 C ATOM 649 OD1 ASP C 131 34.653 1.062 -26.047 1.00 0.00 O ATOM 650 OD2 ASP C 131 35.098 -0.970 -26.371 1.00 0.00 O1- ATOM 0 H ASP C 131 33.217 2.417 -27.409 1.00 0.00 H new ATOM 0 HA ASP C 131 31.468 0.295 -28.307 1.00 0.00 H new ATOM 0 HB2 ASP C 131 33.527 -1.000 -28.257 1.00 0.00 H new ATOM 0 HB3 ASP C 131 34.017 0.631 -28.671 1.00 0.00 H new ATOM 655 N ASP C 132 31.986 0.388 -25.047 1.00 0.00 N ATOM 656 CA ASP C 132 31.453 -0.233 -23.770 1.00 0.00 C ATOM 657 C ASP C 132 29.917 -0.129 -23.751 1.00 0.00 C ATOM 658 O ASP C 132 29.225 -1.097 -23.457 1.00 0.00 O ATOM 659 CB ASP C 132 32.067 0.584 -22.586 1.00 0.00 C ATOM 660 CG ASP C 132 31.578 2.034 -22.586 1.00 0.00 C ATOM 661 OD1 ASP C 132 32.088 2.809 -23.388 1.00 0.00 O1- ATOM 662 OD2 ASP C 132 30.724 2.349 -21.802 1.00 0.00 O ATOM 0 H ASP C 132 32.594 1.197 -24.919 1.00 0.00 H new ATOM 0 HA ASP C 132 31.721 -1.287 -23.693 1.00 0.00 H new ATOM 0 HB2 ASP C 132 31.802 0.110 -21.641 1.00 0.00 H new ATOM 0 HB3 ASP C 132 33.155 0.567 -22.657 1.00 0.00 H new ATOM 667 N ILE C 133 29.377 1.000 -24.160 1.00 0.00 N ATOM 668 CA ILE C 133 27.882 1.163 -24.228 1.00 0.00 C ATOM 669 C ILE C 133 27.308 0.122 -25.214 1.00 0.00 C ATOM 670 O ILE C 133 26.287 -0.512 -24.943 1.00 0.00 O ATOM 671 CB ILE C 133 27.659 2.610 -24.732 1.00 0.00 C ATOM 672 CG1 ILE C 133 28.252 3.606 -23.719 1.00 0.00 C ATOM 673 CG2 ILE C 133 26.166 2.894 -24.885 1.00 0.00 C ATOM 674 CD1 ILE C 133 29.048 4.669 -24.458 1.00 0.00 C ATOM 0 H ILE C 133 29.910 1.820 -24.451 1.00 0.00 H new ATOM 0 HA ILE C 133 27.385 1.004 -23.271 1.00 0.00 H new ATOM 0 HB ILE C 133 28.150 2.721 -25.699 1.00 0.00 H new ATOM 0 HG12 ILE C 133 27.454 4.071 -23.141 1.00 0.00 H new ATOM 0 HG13 ILE C 133 28.895 3.082 -23.011 1.00 0.00 H new ATOM 0 HG21 ILE C 133 26.024 3.915 -25.240 1.00 0.00 H new ATOM 0 HG22 ILE C 133 25.735 2.197 -25.603 1.00 0.00 H new ATOM 0 HG23 ILE C 133 25.672 2.773 -23.921 1.00 0.00 H new ATOM 0 HD11 ILE C 133 29.468 5.374 -23.740 1.00 0.00 H new ATOM 0 HD12 ILE C 133 29.856 4.196 -25.017 1.00 0.00 H new ATOM 0 HD13 ILE C 133 28.392 5.201 -25.148 1.00 0.00 H new ATOM 686 N GLU C 134 27.983 -0.085 -26.326 1.00 0.00 N ATOM 687 CA GLU C 134 27.540 -1.120 -27.320 1.00 0.00 C ATOM 688 C GLU C 134 27.527 -2.504 -26.645 1.00 0.00 C ATOM 689 O GLU C 134 26.561 -3.252 -26.768 1.00 0.00 O ATOM 690 CB GLU C 134 28.640 -1.044 -28.421 1.00 0.00 C ATOM 691 CG GLU C 134 28.457 -2.129 -29.497 1.00 0.00 C ATOM 692 CD GLU C 134 27.210 -1.906 -30.344 1.00 0.00 C ATOM 693 OE1 GLU C 134 26.741 -0.790 -30.440 1.00 0.00 O1- ATOM 694 OE2 GLU C 134 26.748 -2.875 -30.901 1.00 0.00 O ATOM 0 H GLU C 134 28.828 0.423 -26.588 1.00 0.00 H new ATOM 0 HA GLU C 134 26.538 -0.958 -27.717 1.00 0.00 H new ATOM 0 HB2 GLU C 134 28.615 -0.061 -28.890 1.00 0.00 H new ATOM 0 HB3 GLU C 134 29.622 -1.153 -27.960 1.00 0.00 H new ATOM 0 HG2 GLU C 134 29.334 -2.146 -30.144 1.00 0.00 H new ATOM 0 HG3 GLU C 134 28.396 -3.106 -29.017 1.00 0.00 H new ATOM 701 N GLU C 135 28.561 -2.843 -25.902 1.00 0.00 N ATOM 702 CA GLU C 135 28.576 -4.183 -25.213 1.00 0.00 C ATOM 703 C GLU C 135 27.532 -4.245 -24.130 1.00 0.00 C ATOM 704 O GLU C 135 26.870 -5.269 -23.968 1.00 0.00 O ATOM 705 CB GLU C 135 29.972 -4.376 -24.654 1.00 0.00 C ATOM 706 CG GLU C 135 30.949 -4.442 -25.823 1.00 0.00 C ATOM 707 CD GLU C 135 30.529 -5.542 -26.811 1.00 0.00 C ATOM 708 OE1 GLU C 135 30.874 -6.671 -26.583 1.00 0.00 O1- ATOM 709 OE2 GLU C 135 29.857 -5.231 -27.790 1.00 0.00 O ATOM 0 H GLU C 135 29.383 -2.261 -25.744 1.00 0.00 H new ATOM 0 HA GLU C 135 28.335 -4.983 -25.913 1.00 0.00 H new ATOM 0 HB2 GLU C 135 30.232 -3.553 -23.988 1.00 0.00 H new ATOM 0 HB3 GLU C 135 30.022 -5.292 -24.065 1.00 0.00 H new ATOM 0 HG2 GLU C 135 30.981 -3.479 -26.333 1.00 0.00 H new ATOM 0 HG3 GLU C 135 31.955 -4.641 -25.454 1.00 0.00 H new ATOM 716 N LEU C 136 27.305 -3.160 -23.419 1.00 0.00 N ATOM 717 CA LEU C 136 26.214 -3.198 -22.399 1.00 0.00 C ATOM 718 C LEU C 136 24.879 -3.499 -23.111 1.00 0.00 C ATOM 719 O LEU C 136 24.054 -4.245 -22.612 1.00 0.00 O ATOM 720 CB LEU C 136 26.184 -1.825 -21.691 1.00 0.00 C ATOM 721 CG LEU C 136 27.093 -1.837 -20.438 1.00 0.00 C ATOM 722 CD1 LEU C 136 28.571 -1.817 -20.825 1.00 0.00 C ATOM 723 CD2 LEU C 136 26.788 -0.607 -19.580 1.00 0.00 C ATOM 0 H LEU C 136 27.812 -2.279 -23.499 1.00 0.00 H new ATOM 0 HA LEU C 136 26.382 -3.977 -21.655 1.00 0.00 H new ATOM 0 HB2 LEU C 136 26.515 -1.048 -22.380 1.00 0.00 H new ATOM 0 HB3 LEU C 136 25.162 -1.581 -21.403 1.00 0.00 H new ATOM 0 HG LEU C 136 26.892 -2.752 -19.881 1.00 0.00 H new ATOM 0 HD11 LEU C 136 29.183 -1.826 -19.923 1.00 0.00 H new ATOM 0 HD12 LEU C 136 28.801 -2.695 -21.429 1.00 0.00 H new ATOM 0 HD13 LEU C 136 28.785 -0.916 -21.400 1.00 0.00 H new ATOM 0 HD21 LEU C 136 27.426 -0.612 -18.697 1.00 0.00 H new ATOM 0 HD22 LEU C 136 26.977 0.297 -20.159 1.00 0.00 H new ATOM 0 HD23 LEU C 136 25.743 -0.628 -19.272 1.00 0.00 H new ATOM 735 N MET C 137 24.692 -2.973 -24.311 1.00 0.00 N ATOM 736 CA MET C 137 23.455 -3.307 -25.094 1.00 0.00 C ATOM 737 C MET C 137 23.430 -4.824 -25.380 1.00 0.00 C ATOM 738 O MET C 137 22.394 -5.456 -25.286 1.00 0.00 O ATOM 739 CB MET C 137 23.586 -2.542 -26.413 1.00 0.00 C ATOM 740 CG MET C 137 22.281 -2.647 -27.213 1.00 0.00 C ATOM 741 SD MET C 137 21.106 -1.417 -26.605 1.00 0.00 S ATOM 742 CE MET C 137 20.671 -0.703 -28.207 1.00 0.00 C ATOM 0 H MET C 137 25.339 -2.334 -24.773 1.00 0.00 H new ATOM 0 HA MET C 137 22.544 -3.042 -24.558 1.00 0.00 H new ATOM 0 HB2 MET C 137 23.817 -1.495 -26.214 1.00 0.00 H new ATOM 0 HB3 MET C 137 24.413 -2.946 -26.996 1.00 0.00 H new ATOM 0 HG2 MET C 137 22.477 -2.486 -28.273 1.00 0.00 H new ATOM 0 HG3 MET C 137 21.861 -3.648 -27.115 1.00 0.00 H new ATOM 0 HE1 MET C 137 20.495 0.367 -28.093 1.00 0.00 H new ATOM 0 HE2 MET C 137 21.488 -0.864 -28.911 1.00 0.00 H new ATOM 0 HE3 MET C 137 19.767 -1.181 -28.585 1.00 0.00 H new ATOM 752 N LYS C 138 24.582 -5.410 -25.708 1.00 0.00 N ATOM 753 CA LYS C 138 24.630 -6.904 -25.976 1.00 0.00 C ATOM 754 C LYS C 138 24.205 -7.619 -24.688 1.00 0.00 C ATOM 755 O LYS C 138 23.412 -8.546 -24.705 1.00 0.00 O ATOM 756 CB LYS C 138 26.124 -7.256 -26.254 1.00 0.00 C ATOM 757 CG LYS C 138 26.745 -6.358 -27.348 1.00 0.00 C ATOM 758 CD LYS C 138 26.069 -6.560 -28.702 1.00 0.00 C ATOM 759 CE LYS C 138 26.407 -5.362 -29.623 1.00 0.00 C ATOM 760 NZ LYS C 138 27.903 -5.310 -29.742 1.00 0.00 N1+ ATOM 0 H LYS C 138 25.475 -4.925 -25.800 1.00 0.00 H new ATOM 0 HA LYS C 138 23.987 -7.193 -26.807 1.00 0.00 H new ATOM 0 HB2 LYS C 138 26.697 -7.151 -25.333 1.00 0.00 H new ATOM 0 HB3 LYS C 138 26.198 -8.300 -26.559 1.00 0.00 H new ATOM 0 HG2 LYS C 138 26.659 -5.313 -27.052 1.00 0.00 H new ATOM 0 HG3 LYS C 138 27.809 -6.577 -27.437 1.00 0.00 H new ATOM 0 HD2 LYS C 138 26.409 -7.491 -29.156 1.00 0.00 H new ATOM 0 HD3 LYS C 138 24.990 -6.643 -28.574 1.00 0.00 H new ATOM 0 HE2 LYS C 138 25.946 -5.486 -30.603 1.00 0.00 H new ATOM 0 HE3 LYS C 138 26.021 -4.433 -29.205 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 28.172 -4.558 -30.409 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 28.319 -5.111 -28.810 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 28.256 -6.224 -30.090 1.00 0.00 H new ATOM 774 N ASP C 139 24.728 -7.165 -23.559 1.00 0.00 N ATOM 775 CA ASP C 139 24.356 -7.772 -22.241 1.00 0.00 C ATOM 776 C ASP C 139 22.863 -7.585 -21.978 1.00 0.00 C ATOM 777 O ASP C 139 22.206 -8.475 -21.460 1.00 0.00 O ATOM 778 CB ASP C 139 25.172 -6.991 -21.194 1.00 0.00 C ATOM 779 CG ASP C 139 24.967 -7.603 -19.834 1.00 0.00 C ATOM 780 OD1 ASP C 139 25.515 -8.651 -19.591 1.00 0.00 O1- ATOM 781 OD2 ASP C 139 24.226 -7.041 -19.052 1.00 0.00 O ATOM 0 H ASP C 139 25.398 -6.398 -23.503 1.00 0.00 H new ATOM 0 HA ASP C 139 24.562 -8.842 -22.212 1.00 0.00 H new ATOM 0 HB2 ASP C 139 26.230 -7.008 -21.456 1.00 0.00 H new ATOM 0 HB3 ASP C 139 24.863 -5.946 -21.184 1.00 0.00 H new ATOM 786 N GLY C 140 22.337 -6.425 -22.279 1.00 0.00 N ATOM 787 CA GLY C 140 20.906 -6.118 -21.991 1.00 0.00 C ATOM 788 C GLY C 140 19.901 -6.831 -22.905 1.00 0.00 C ATOM 789 O GLY C 140 18.801 -7.123 -22.468 1.00 0.00 O ATOM 0 H GLY C 140 22.851 -5.663 -22.721 1.00 0.00 H new ATOM 0 HA2 GLY C 140 20.691 -6.388 -20.957 1.00 0.00 H new ATOM 0 HA3 GLY C 140 20.755 -5.042 -22.077 1.00 0.00 H new ATOM 793 N ASP C 141 20.181 -7.009 -24.187 1.00 0.00 N ATOM 794 CA ASP C 141 19.087 -7.563 -25.081 1.00 0.00 C ATOM 795 C ASP C 141 18.881 -9.064 -24.856 1.00 0.00 C ATOM 796 O ASP C 141 19.838 -9.832 -24.761 1.00 0.00 O ATOM 797 CB ASP C 141 19.464 -7.275 -26.539 1.00 0.00 C ATOM 798 CG ASP C 141 18.237 -7.500 -27.410 1.00 0.00 C ATOM 799 OD1 ASP C 141 17.403 -6.619 -27.450 1.00 0.00 O1- ATOM 800 OD2 ASP C 141 18.110 -8.529 -27.985 1.00 0.00 O ATOM 0 H ASP C 141 21.073 -6.807 -24.638 1.00 0.00 H new ATOM 0 HA ASP C 141 18.142 -7.078 -24.837 1.00 0.00 H new ATOM 0 HB2 ASP C 141 19.819 -6.250 -26.643 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.278 -7.928 -26.856 1.00 0.00 H new ATOM 805 N LYS C 142 17.658 -9.475 -24.663 1.00 0.00 N ATOM 806 CA LYS C 142 17.347 -10.928 -24.399 1.00 0.00 C ATOM 807 C LYS C 142 16.504 -11.503 -25.541 1.00 0.00 C ATOM 808 O LYS C 142 16.682 -12.638 -25.938 1.00 0.00 O ATOM 809 CB LYS C 142 16.524 -10.946 -23.091 1.00 0.00 C ATOM 810 CG LYS C 142 17.293 -10.224 -21.973 1.00 0.00 C ATOM 811 CD LYS C 142 18.571 -11.005 -21.634 1.00 0.00 C ATOM 812 CE LYS C 142 19.705 -10.018 -21.338 1.00 0.00 C ATOM 813 NZ LYS C 142 20.735 -10.262 -22.379 1.00 0.00 N1+ ATOM 0 H LYS C 142 16.842 -8.863 -24.675 1.00 0.00 H new ATOM 0 HA LYS C 142 18.256 -11.525 -24.322 1.00 0.00 H new ATOM 0 HB2 LYS C 142 15.561 -10.462 -23.252 1.00 0.00 H new ATOM 0 HB3 LYS C 142 16.318 -11.975 -22.796 1.00 0.00 H new ATOM 0 HG2 LYS C 142 17.547 -9.212 -22.288 1.00 0.00 H new ATOM 0 HG3 LYS C 142 16.665 -10.133 -21.087 1.00 0.00 H new ATOM 0 HD2 LYS C 142 18.399 -11.649 -20.771 1.00 0.00 H new ATOM 0 HD3 LYS C 142 18.846 -11.654 -22.466 1.00 0.00 H new ATOM 0 HE2 LYS C 142 19.347 -8.989 -21.375 1.00 0.00 H new ATOM 0 HE3 LYS C 142 20.112 -10.178 -20.340 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 21.436 -9.494 -22.360 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 21.209 -11.169 -22.192 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 20.282 -10.294 -23.315 1.00 0.00 H new ATOM 827 N ASN C 143 15.547 -10.743 -26.033 1.00 0.00 N ATOM 828 CA ASN C 143 14.607 -11.267 -27.106 1.00 0.00 C ATOM 829 C ASN C 143 15.212 -11.191 -28.518 1.00 0.00 C ATOM 830 O ASN C 143 14.492 -11.381 -29.495 1.00 0.00 O ATOM 831 CB ASN C 143 13.349 -10.377 -27.026 1.00 0.00 C ATOM 832 CG ASN C 143 12.231 -11.141 -26.325 1.00 0.00 C ATOM 833 OD1 ASN C 143 11.634 -12.015 -26.913 1.00 0.00 O ATOM 834 ND2 ASN C 143 11.936 -10.876 -25.085 1.00 0.00 N ATOM 0 H ASN C 143 15.370 -9.781 -25.743 1.00 0.00 H new ATOM 0 HA ASN C 143 14.393 -12.322 -26.932 1.00 0.00 H new ATOM 0 HB2 ASN C 143 13.573 -9.459 -26.482 1.00 0.00 H new ATOM 0 HB3 ASN C 143 13.032 -10.085 -28.027 1.00 0.00 H new ATOM 0 HD21 ASN C 143 11.203 -11.404 -24.611 1.00 0.00 H new ATOM 0 HD22 ASN C 143 12.438 -10.140 -24.587 1.00 0.00 H new ATOM 841 N ASN C 144 16.495 -10.851 -28.658 1.00 0.00 N ATOM 842 CA ASN C 144 17.137 -10.671 -30.023 1.00 0.00 C ATOM 843 C ASN C 144 16.373 -9.572 -30.783 1.00 0.00 C ATOM 844 O ASN C 144 16.189 -9.645 -31.988 1.00 0.00 O ATOM 845 CB ASN C 144 16.993 -12.025 -30.754 1.00 0.00 C ATOM 846 CG ASN C 144 17.970 -12.077 -31.929 1.00 0.00 C ATOM 847 OD1 ASN C 144 19.124 -12.407 -31.758 1.00 0.00 O ATOM 848 ND2 ASN C 144 17.578 -11.724 -33.114 1.00 0.00 N ATOM 0 H ASN C 144 17.127 -10.690 -27.874 1.00 0.00 H new ATOM 0 HA ASN C 144 18.185 -10.380 -29.952 1.00 0.00 H new ATOM 0 HB2 ASN C 144 17.193 -12.845 -30.065 1.00 0.00 H new ATOM 0 HB3 ASN C 144 15.971 -12.150 -31.111 1.00 0.00 H new ATOM 0 HD21 ASN C 144 18.238 -11.726 -33.891 1.00 0.00 H new ATOM 0 HD22 ASN C 144 16.609 -11.445 -33.269 1.00 0.00 H new ATOM 855 N ASP C 145 15.957 -8.546 -30.084 1.00 0.00 N ATOM 856 CA ASP C 145 15.229 -7.398 -30.742 1.00 0.00 C ATOM 857 C ASP C 145 16.171 -6.189 -30.945 1.00 0.00 C ATOM 858 O ASP C 145 15.784 -5.196 -31.523 1.00 0.00 O ATOM 859 CB ASP C 145 14.052 -7.039 -29.782 1.00 0.00 C ATOM 860 CG ASP C 145 14.565 -6.662 -28.416 1.00 0.00 C ATOM 861 OD1 ASP C 145 14.762 -7.501 -27.607 1.00 0.00 O ATOM 862 OD2 ASP C 145 14.818 -5.549 -28.170 1.00 0.00 O1- ATOM 0 H ASP C 145 16.088 -8.446 -29.077 1.00 0.00 H new ATOM 0 HA ASP C 145 14.866 -7.669 -31.733 1.00 0.00 H new ATOM 0 HB2 ASP C 145 13.477 -6.212 -30.199 1.00 0.00 H new ATOM 0 HB3 ASP C 145 13.374 -7.889 -29.698 1.00 0.00 H new ATOM 867 N GLY C 146 17.411 -6.265 -30.486 1.00 0.00 N ATOM 868 CA GLY C 146 18.382 -5.129 -30.691 1.00 0.00 C ATOM 869 C GLY C 146 18.053 -3.907 -29.788 1.00 0.00 C ATOM 870 O GLY C 146 18.764 -2.917 -29.819 1.00 0.00 O ATOM 0 H GLY C 146 17.789 -7.065 -29.979 1.00 0.00 H new ATOM 0 HA2 GLY C 146 19.394 -5.475 -30.478 1.00 0.00 H new ATOM 0 HA3 GLY C 146 18.364 -4.822 -31.737 1.00 0.00 H new ATOM 874 N ARG C 147 16.997 -3.951 -29.003 1.00 0.00 N ATOM 875 CA ARG C 147 16.631 -2.785 -28.114 1.00 0.00 C ATOM 876 C ARG C 147 16.642 -3.287 -26.671 1.00 0.00 C ATOM 877 O ARG C 147 16.414 -4.479 -26.430 1.00 0.00 O ATOM 878 CB ARG C 147 15.162 -2.429 -28.494 1.00 0.00 C ATOM 879 CG ARG C 147 14.993 -2.242 -30.021 1.00 0.00 C ATOM 880 CD ARG C 147 15.724 -0.976 -30.494 1.00 0.00 C ATOM 881 NE ARG C 147 14.929 0.185 -29.937 1.00 0.00 N ATOM 882 CZ ARG C 147 15.512 1.371 -29.753 1.00 0.00 C ATOM 883 NH1 ARG C 147 16.677 1.640 -30.318 1.00 0.00 N1+ ATOM 884 NH2 ARG C 147 14.931 2.284 -29.026 1.00 0.00 N ATOM 0 H ARG C 147 16.366 -4.749 -28.937 1.00 0.00 H new ATOM 0 HA ARG C 147 17.306 -1.936 -28.223 1.00 0.00 H new ATOM 0 HB2 ARG C 147 14.495 -3.219 -28.149 1.00 0.00 H new ATOM 0 HB3 ARG C 147 14.865 -1.514 -27.981 1.00 0.00 H new ATOM 0 HG2 ARG C 147 15.386 -3.113 -30.545 1.00 0.00 H new ATOM 0 HG3 ARG C 147 13.934 -2.171 -30.269 1.00 0.00 H new ATOM 0 HD2 ARG C 147 16.751 -0.958 -30.131 1.00 0.00 H new ATOM 0 HD3 ARG C 147 15.770 -0.933 -31.582 1.00 0.00 H new ATOM 0 HE ARG C 147 13.944 0.060 -29.701 1.00 0.00 H new ATOM 0 HH11 ARG C 147 17.136 0.939 -30.899 1.00 0.00 H new ATOM 0 HH12 ARG C 147 17.116 2.549 -30.173 1.00 0.00 H new ATOM 0 HH21 ARG C 147 14.027 2.093 -28.595 1.00 0.00 H new ATOM 0 HH22 ARG C 147 15.381 3.189 -28.888 1.00 0.00 H new ATOM 898 N ILE C 148 16.800 -2.437 -25.700 1.00 0.00 N ATOM 899 CA ILE C 148 16.679 -2.946 -24.300 1.00 0.00 C ATOM 900 C ILE C 148 15.297 -2.512 -23.798 1.00 0.00 C ATOM 901 O ILE C 148 15.051 -1.341 -23.579 1.00 0.00 O ATOM 902 CB ILE C 148 17.815 -2.264 -23.492 1.00 0.00 C ATOM 903 CG1 ILE C 148 19.182 -2.473 -24.178 1.00 0.00 C ATOM 904 CG2 ILE C 148 17.884 -2.867 -22.086 1.00 0.00 C ATOM 905 CD1 ILE C 148 19.408 -3.955 -24.507 1.00 0.00 C ATOM 0 H ILE C 148 17.001 -1.442 -25.802 1.00 0.00 H new ATOM 0 HA ILE C 148 16.769 -4.029 -24.210 1.00 0.00 H new ATOM 0 HB ILE C 148 17.596 -1.197 -23.440 1.00 0.00 H new ATOM 0 HG12 ILE C 148 19.229 -1.882 -25.093 1.00 0.00 H new ATOM 0 HG13 ILE C 148 19.979 -2.115 -23.526 1.00 0.00 H new ATOM 0 HG21 ILE C 148 18.683 -2.385 -21.522 1.00 0.00 H new ATOM 0 HG22 ILE C 148 16.934 -2.710 -21.576 1.00 0.00 H new ATOM 0 HG23 ILE C 148 18.084 -3.936 -22.158 1.00 0.00 H new ATOM 0 HD11 ILE C 148 20.378 -4.077 -24.990 1.00 0.00 H new ATOM 0 HD12 ILE C 148 19.384 -4.540 -23.587 1.00 0.00 H new ATOM 0 HD13 ILE C 148 18.623 -4.303 -25.178 1.00 0.00 H new ATOM 917 N ASP C 149 14.400 -3.443 -23.672 1.00 0.00 N ATOM 918 CA ASP C 149 12.997 -3.140 -23.230 1.00 0.00 C ATOM 919 C ASP C 149 12.917 -3.208 -21.710 1.00 0.00 C ATOM 920 O ASP C 149 13.854 -3.648 -21.049 1.00 0.00 O ATOM 921 CB ASP C 149 12.134 -4.249 -23.860 1.00 0.00 C ATOM 922 CG ASP C 149 10.673 -4.015 -23.536 1.00 0.00 C ATOM 923 OD1 ASP C 149 10.063 -3.211 -24.202 1.00 0.00 O ATOM 924 OD2 ASP C 149 10.191 -4.621 -22.605 1.00 0.00 O1- ATOM 0 H ASP C 149 14.576 -4.430 -23.860 1.00 0.00 H new ATOM 0 HA ASP C 149 12.667 -2.146 -23.533 1.00 0.00 H new ATOM 0 HB2 ASP C 149 12.278 -4.264 -24.940 1.00 0.00 H new ATOM 0 HB3 ASP C 149 12.447 -5.223 -23.484 1.00 0.00 H new ATOM 929 N TYR C 150 11.816 -2.792 -21.155 1.00 0.00 N ATOM 930 CA TYR C 150 11.620 -2.841 -19.673 1.00 0.00 C ATOM 931 C TYR C 150 11.856 -4.284 -19.161 1.00 0.00 C ATOM 932 O TYR C 150 12.548 -4.482 -18.162 1.00 0.00 O ATOM 933 CB TYR C 150 10.142 -2.439 -19.487 1.00 0.00 C ATOM 934 CG TYR C 150 9.808 -2.286 -18.027 1.00 0.00 C ATOM 935 CD1 TYR C 150 10.186 -1.131 -17.353 1.00 0.00 C ATOM 936 CD2 TYR C 150 9.113 -3.296 -17.351 1.00 0.00 C ATOM 937 CE1 TYR C 150 9.867 -0.972 -16.013 1.00 0.00 C ATOM 938 CE2 TYR C 150 8.785 -3.134 -16.003 1.00 0.00 C ATOM 939 CZ TYR C 150 9.173 -1.968 -15.330 1.00 0.00 C ATOM 940 OH TYR C 150 8.849 -1.781 -13.998 1.00 0.00 O ATOM 0 H TYR C 150 11.024 -2.411 -21.673 1.00 0.00 H new ATOM 0 HA TYR C 150 12.305 -2.193 -19.125 1.00 0.00 H new ATOM 0 HB2 TYR C 150 9.947 -1.502 -20.009 1.00 0.00 H new ATOM 0 HB3 TYR C 150 9.496 -3.194 -19.935 1.00 0.00 H new ATOM 0 HD1 TYR C 150 10.729 -0.356 -17.874 1.00 0.00 H new ATOM 0 HD2 TYR C 150 8.831 -4.199 -17.871 1.00 0.00 H new ATOM 0 HE1 TYR C 150 10.159 -0.070 -15.495 1.00 0.00 H new ATOM 0 HE2 TYR C 150 8.235 -3.904 -15.482 1.00 0.00 H new ATOM 0 HH TYR C 150 8.365 -2.566 -13.666 1.00 0.00 H new ATOM 950 N ASP C 151 11.342 -5.295 -19.862 1.00 0.00 N ATOM 951 CA ASP C 151 11.608 -6.729 -19.425 1.00 0.00 C ATOM 952 C ASP C 151 13.116 -7.007 -19.498 1.00 0.00 C ATOM 953 O ASP C 151 13.717 -7.513 -18.554 1.00 0.00 O ATOM 954 CB ASP C 151 10.860 -7.623 -20.452 1.00 0.00 C ATOM 955 CG ASP C 151 10.912 -9.112 -20.060 1.00 0.00 C ATOM 956 OD1 ASP C 151 11.155 -9.423 -18.911 1.00 0.00 O ATOM 957 OD2 ASP C 151 10.712 -9.933 -20.932 1.00 0.00 O1- ATOM 0 H ASP C 151 10.764 -5.193 -20.697 1.00 0.00 H new ATOM 0 HA ASP C 151 11.274 -6.919 -18.405 1.00 0.00 H new ATOM 0 HB2 ASP C 151 9.821 -7.302 -20.524 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.303 -7.491 -21.439 1.00 0.00 H new ATOM 962 N GLU C 152 13.753 -6.603 -20.584 1.00 0.00 N ATOM 963 CA GLU C 152 15.246 -6.791 -20.715 1.00 0.00 C ATOM 964 C GLU C 152 15.962 -5.943 -19.630 1.00 0.00 C ATOM 965 O GLU C 152 16.949 -6.358 -19.049 1.00 0.00 O ATOM 966 CB GLU C 152 15.597 -6.294 -22.144 1.00 0.00 C ATOM 967 CG GLU C 152 14.845 -7.157 -23.196 1.00 0.00 C ATOM 968 CD GLU C 152 15.230 -6.760 -24.590 1.00 0.00 C ATOM 969 OE1 GLU C 152 14.712 -5.844 -25.109 1.00 0.00 O ATOM 970 OE2 GLU C 152 16.049 -7.361 -25.159 1.00 0.00 O1- ATOM 0 H GLU C 152 13.305 -6.153 -21.382 1.00 0.00 H new ATOM 0 HA GLU C 152 15.560 -7.825 -20.575 1.00 0.00 H new ATOM 0 HB2 GLU C 152 15.320 -5.246 -22.254 1.00 0.00 H new ATOM 0 HB3 GLU C 152 16.673 -6.358 -22.308 1.00 0.00 H new ATOM 0 HG2 GLU C 152 15.074 -8.211 -23.038 1.00 0.00 H new ATOM 0 HG3 GLU C 152 13.769 -7.041 -23.065 1.00 0.00 H new ATOM 977 N PHE C 153 15.441 -4.770 -19.336 1.00 0.00 N ATOM 978 CA PHE C 153 16.035 -3.898 -18.263 1.00 0.00 C ATOM 979 C PHE C 153 16.002 -4.615 -16.902 1.00 0.00 C ATOM 980 O PHE C 153 16.952 -4.535 -16.141 1.00 0.00 O ATOM 981 CB PHE C 153 15.148 -2.643 -18.235 1.00 0.00 C ATOM 982 CG PHE C 153 15.653 -1.648 -17.205 1.00 0.00 C ATOM 983 CD1 PHE C 153 16.709 -0.782 -17.507 1.00 0.00 C ATOM 984 CD2 PHE C 153 15.037 -1.584 -15.946 1.00 0.00 C ATOM 985 CE1 PHE C 153 17.147 0.145 -16.548 1.00 0.00 C ATOM 986 CE2 PHE C 153 15.478 -0.661 -14.995 1.00 0.00 C ATOM 987 CZ PHE C 153 16.532 0.203 -15.296 1.00 0.00 C ATOM 0 H PHE C 153 14.622 -4.376 -19.798 1.00 0.00 H new ATOM 0 HA PHE C 153 17.079 -3.657 -18.462 1.00 0.00 H new ATOM 0 HB2 PHE C 153 15.137 -2.178 -19.221 1.00 0.00 H new ATOM 0 HB3 PHE C 153 14.121 -2.924 -18.003 1.00 0.00 H new ATOM 0 HD1 PHE C 153 17.186 -0.826 -18.475 1.00 0.00 H new ATOM 0 HD2 PHE C 153 14.220 -2.250 -15.712 1.00 0.00 H new ATOM 0 HE1 PHE C 153 17.962 0.815 -16.779 1.00 0.00 H new ATOM 0 HE2 PHE C 153 15.003 -0.616 -14.026 1.00 0.00 H new ATOM 0 HZ PHE C 153 16.872 0.917 -14.560 1.00 0.00 H new ATOM 997 N LEU C 154 14.906 -5.283 -16.574 1.00 0.00 N ATOM 998 CA LEU C 154 14.823 -5.972 -15.234 1.00 0.00 C ATOM 999 C LEU C 154 15.970 -6.985 -15.083 1.00 0.00 C ATOM 1000 O LEU C 154 16.641 -7.009 -14.060 1.00 0.00 O ATOM 1001 CB LEU C 154 13.456 -6.696 -15.234 1.00 0.00 C ATOM 1002 CG LEU C 154 13.236 -7.430 -13.895 1.00 0.00 C ATOM 1003 CD1 LEU C 154 13.013 -6.416 -12.775 1.00 0.00 C ATOM 1004 CD2 LEU C 154 12.006 -8.330 -14.009 1.00 0.00 C ATOM 0 H LEU C 154 14.081 -5.379 -17.166 1.00 0.00 H new ATOM 0 HA LEU C 154 14.910 -5.269 -14.406 1.00 0.00 H new ATOM 0 HB2 LEU C 154 12.655 -5.975 -15.396 1.00 0.00 H new ATOM 0 HB3 LEU C 154 13.415 -7.409 -16.058 1.00 0.00 H new ATOM 0 HG LEU C 154 14.117 -8.030 -13.667 1.00 0.00 H new ATOM 0 HD11 LEU C 154 12.858 -6.942 -11.833 1.00 0.00 H new ATOM 0 HD12 LEU C 154 13.886 -5.769 -12.690 1.00 0.00 H new ATOM 0 HD13 LEU C 154 12.135 -5.811 -13.001 1.00 0.00 H new ATOM 0 HD21 LEU C 154 11.847 -8.851 -13.065 1.00 0.00 H new ATOM 0 HD22 LEU C 154 11.131 -7.723 -14.240 1.00 0.00 H new ATOM 0 HD23 LEU C 154 12.161 -9.060 -14.804 1.00 0.00 H new ATOM 1016 N GLU C 155 16.236 -7.790 -16.100 1.00 0.00 N ATOM 1017 CA GLU C 155 17.379 -8.755 -15.988 1.00 0.00 C ATOM 1018 C GLU C 155 18.722 -7.997 -16.070 1.00 0.00 C ATOM 1019 O GLU C 155 19.683 -8.378 -15.442 1.00 0.00 O ATOM 1020 CB GLU C 155 17.184 -9.822 -17.117 1.00 0.00 C ATOM 1021 CG GLU C 155 17.929 -9.461 -18.422 1.00 0.00 C ATOM 1022 CD GLU C 155 19.398 -9.889 -18.337 1.00 0.00 C ATOM 1023 OE1 GLU C 155 19.661 -11.059 -18.161 1.00 0.00 O ATOM 1024 OE2 GLU C 155 20.250 -9.046 -18.480 1.00 0.00 O1- ATOM 0 H GLU C 155 15.721 -7.817 -16.980 1.00 0.00 H new ATOM 0 HA GLU C 155 17.398 -9.268 -15.026 1.00 0.00 H new ATOM 0 HB2 GLU C 155 17.536 -10.790 -16.760 1.00 0.00 H new ATOM 0 HB3 GLU C 155 16.120 -9.928 -17.330 1.00 0.00 H new ATOM 0 HG2 GLU C 155 17.450 -9.952 -19.269 1.00 0.00 H new ATOM 0 HG3 GLU C 155 17.866 -8.387 -18.598 1.00 0.00 H new ATOM 1031 N PHE C 156 18.768 -6.907 -16.825 1.00 0.00 N ATOM 1032 CA PHE C 156 20.037 -6.090 -16.995 1.00 0.00 C ATOM 1033 C PHE C 156 20.642 -5.762 -15.616 1.00 0.00 C ATOM 1034 O PHE C 156 21.853 -5.775 -15.445 1.00 0.00 O ATOM 1035 CB PHE C 156 19.559 -4.795 -17.682 1.00 0.00 C ATOM 1036 CG PHE C 156 20.727 -3.950 -18.126 1.00 0.00 C ATOM 1037 CD1 PHE C 156 21.302 -4.174 -19.376 1.00 0.00 C ATOM 1038 CD2 PHE C 156 21.216 -2.925 -17.308 1.00 0.00 C ATOM 1039 CE1 PHE C 156 22.368 -3.390 -19.813 1.00 0.00 C ATOM 1040 CE2 PHE C 156 22.284 -2.134 -17.744 1.00 0.00 C ATOM 1041 CZ PHE C 156 22.860 -2.364 -18.997 1.00 0.00 C ATOM 0 H PHE C 156 17.966 -6.543 -17.340 1.00 0.00 H new ATOM 0 HA PHE C 156 20.803 -6.614 -17.566 1.00 0.00 H new ATOM 0 HB2 PHE C 156 18.939 -5.045 -18.543 1.00 0.00 H new ATOM 0 HB3 PHE C 156 18.935 -4.225 -16.994 1.00 0.00 H new ATOM 0 HD1 PHE C 156 20.919 -4.960 -20.010 1.00 0.00 H new ATOM 0 HD2 PHE C 156 20.769 -2.745 -16.341 1.00 0.00 H new ATOM 0 HE1 PHE C 156 22.814 -3.573 -20.779 1.00 0.00 H new ATOM 0 HE2 PHE C 156 22.664 -1.345 -17.112 1.00 0.00 H new ATOM 0 HZ PHE C 156 23.683 -1.751 -19.335 1.00 0.00 H new ATOM 1051 N MET C 157 19.809 -5.502 -14.624 1.00 0.00 N ATOM 1052 CA MET C 157 20.321 -5.199 -13.228 1.00 0.00 C ATOM 1053 C MET C 157 20.832 -6.485 -12.505 1.00 0.00 C ATOM 1054 O MET C 157 21.059 -6.452 -11.315 1.00 0.00 O ATOM 1055 CB MET C 157 19.108 -4.627 -12.467 1.00 0.00 C ATOM 1056 CG MET C 157 18.666 -3.288 -13.087 1.00 0.00 C ATOM 1057 SD MET C 157 17.334 -2.570 -12.089 1.00 0.00 S ATOM 1058 CE MET C 157 16.086 -3.861 -12.367 1.00 0.00 C ATOM 0 H MET C 157 18.793 -5.486 -14.717 1.00 0.00 H new ATOM 0 HA MET C 157 21.164 -4.509 -13.267 1.00 0.00 H new ATOM 0 HB2 MET C 157 18.283 -5.339 -12.498 1.00 0.00 H new ATOM 0 HB3 MET C 157 19.365 -4.482 -11.418 1.00 0.00 H new ATOM 0 HG2 MET C 157 19.511 -2.601 -13.134 1.00 0.00 H new ATOM 0 HG3 MET C 157 18.325 -3.444 -14.110 1.00 0.00 H new ATOM 0 HE1 MET C 157 15.110 -3.398 -12.516 1.00 0.00 H new ATOM 0 HE2 MET C 157 16.352 -4.439 -13.252 1.00 0.00 H new ATOM 0 HE3 MET C 157 16.046 -4.521 -11.501 1.00 0.00 H new