USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 CYS SG : rot 25:sc= 0.812 USER MOD Set 1.2: A 79 CYS SG : rot -175:sc= 0.719 USER MOD Set 1.3: A 81 CYS SG : rot -17:sc= -8.04! USER MOD Set 2.1: A 42 LYS NZ :NH3+ 144:sc= 1.94 (180deg=-0.645!) USER MOD Set 2.2: A 77 TYR OH : rot -20:sc= -0.38 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.62) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 137:sc= -3.15! (180deg=-4.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.023) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.979 K(o=0.98,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -130:sc= -0.955 USER MOD Single : A 65 GLN : amide:sc= -0.0475 X(o=-0.048,f=-0.5) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -106:sc= -0.356 (180deg=-1.85) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 1.084 16.156 -1.925 1.00 0.00 N ATOM 81 CA ALA A 9 1.680 15.084 -1.139 1.00 0.00 C ATOM 82 C ALA A 9 2.753 14.350 -1.935 1.00 0.00 C ATOM 83 O ALA A 9 2.452 13.637 -2.892 1.00 0.00 O ATOM 84 CB ALA A 9 0.606 14.111 -0.674 1.00 0.00 C ATOM 0 HA ALA A 9 2.155 15.529 -0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.065 13.315 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.123 14.640 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.105 13.680 -1.541 1.00 0.00 H new ATOM 90 N LYS A 10 4.007 14.529 -1.534 1.00 0.00 N ATOM 91 CA LYS A 10 5.127 13.884 -2.210 1.00 0.00 C ATOM 92 C LYS A 10 5.482 12.563 -1.534 1.00 0.00 C ATOM 93 O LYS A 10 5.019 12.275 -0.430 1.00 0.00 O ATOM 94 CB LYS A 10 6.346 14.809 -2.218 1.00 0.00 C ATOM 95 CG LYS A 10 6.115 16.114 -2.960 1.00 0.00 C ATOM 96 CD LYS A 10 6.121 15.907 -4.465 1.00 0.00 C ATOM 97 CE LYS A 10 6.072 17.233 -5.210 1.00 0.00 C ATOM 98 NZ LYS A 10 6.765 17.155 -6.526 1.00 0.00 N ATOM 0 H LYS A 10 4.274 15.116 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 10 4.829 13.678 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.630 15.031 -1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.186 14.285 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.161 16.544 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.889 16.831 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.017 15.359 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.266 15.295 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.033 17.525 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.535 18.009 -4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.710 18.078 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.763 16.901 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.307 16.432 -7.117 1.00 0.00 H new ATOM 112 N PHE A 11 6.307 11.765 -2.203 1.00 0.00 N ATOM 113 CA PHE A 11 6.724 10.475 -1.666 1.00 0.00 C ATOM 114 C PHE A 11 8.154 10.543 -1.137 1.00 0.00 C ATOM 115 O PHE A 11 9.096 10.794 -1.890 1.00 0.00 O ATOM 116 CB PHE A 11 6.617 9.392 -2.742 1.00 0.00 C ATOM 117 CG PHE A 11 5.210 8.929 -2.989 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.599 8.037 -2.124 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.499 9.386 -4.087 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.303 7.609 -2.348 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.204 8.962 -4.316 1.00 0.00 C ATOM 122 CZ PHE A 11 2.605 8.072 -3.446 1.00 0.00 C ATOM 0 H PHE A 11 6.700 11.989 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 11 6.061 10.222 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.034 9.774 -3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.226 8.537 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.141 7.671 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.962 10.081 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.838 6.914 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.660 9.326 -5.175 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.593 7.739 -3.624 1.00 0.00 H new ATOM 132 N THR A 12 8.309 10.317 0.164 1.00 0.00 N ATOM 133 CA THR A 12 9.622 10.354 0.795 1.00 0.00 C ATOM 134 C THR A 12 10.273 8.976 0.791 1.00 0.00 C ATOM 135 O THR A 12 11.480 8.851 0.586 1.00 0.00 O ATOM 136 CB THR A 12 9.533 10.863 2.246 1.00 0.00 C ATOM 137 OG1 THR A 12 8.623 10.051 2.996 1.00 0.00 O ATOM 138 CG2 THR A 12 9.076 12.314 2.284 1.00 0.00 C ATOM 0 H THR A 12 7.541 10.106 0.801 1.00 0.00 H new ATOM 0 HA THR A 12 10.234 11.043 0.213 1.00 0.00 H new ATOM 0 HB THR A 12 10.526 10.800 2.691 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.574 10.381 3.918 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.021 12.651 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.787 12.934 1.738 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.092 12.398 1.822 1.00 0.00 H new ATOM 146 N GLU A 13 9.465 7.944 1.018 1.00 0.00 N ATOM 147 CA GLU A 13 9.965 6.575 1.040 1.00 0.00 C ATOM 148 C GLU A 13 9.546 5.822 -0.220 1.00 0.00 C ATOM 149 O GLU A 13 10.370 5.196 -0.885 1.00 0.00 O ATOM 150 CB GLU A 13 9.451 5.841 2.280 1.00 0.00 C ATOM 151 CG GLU A 13 10.058 6.343 3.579 1.00 0.00 C ATOM 152 CD GLU A 13 11.524 5.981 3.716 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.360 6.639 3.063 1.00 0.00 O ATOM 154 OE2 GLU A 13 11.835 5.041 4.476 1.00 0.00 O ATOM 0 H GLU A 13 8.463 8.031 1.189 1.00 0.00 H new ATOM 0 HA GLU A 13 11.054 6.614 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.367 5.946 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.664 4.777 2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.949 7.426 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.504 5.925 4.420 1.00 0.00 H new ATOM 161 N GLY A 14 8.257 5.888 -0.541 1.00 0.00 N ATOM 162 CA GLY A 14 7.750 5.209 -1.719 1.00 0.00 C ATOM 163 C GLY A 14 7.503 3.733 -1.476 1.00 0.00 C ATOM 164 O GLY A 14 7.986 3.169 -0.493 1.00 0.00 O ATOM 0 H GLY A 14 7.555 6.400 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.821 5.682 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.462 5.325 -2.536 1.00 0.00 H new ATOM 168 N LEU A 15 6.749 3.106 -2.371 1.00 0.00 N ATOM 169 CA LEU A 15 6.437 1.686 -2.249 1.00 0.00 C ATOM 170 C LEU A 15 7.695 0.837 -2.399 1.00 0.00 C ATOM 171 O LEU A 15 8.738 1.326 -2.834 1.00 0.00 O ATOM 172 CB LEU A 15 5.404 1.278 -3.301 1.00 0.00 C ATOM 173 CG LEU A 15 3.996 1.843 -3.113 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.185 1.691 -4.391 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.296 1.154 -1.951 1.00 0.00 C ATOM 0 H LEU A 15 6.342 3.558 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 15 6.022 1.515 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.770 1.587 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.339 0.190 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 15 4.079 2.905 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.186 2.099 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.677 2.230 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.110 0.635 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.295 1.569 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.224 0.085 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.866 1.314 -1.036 1.00 0.00 H new ATOM 187 N ARG A 16 7.589 -0.438 -2.039 1.00 0.00 N ATOM 188 CA ARG A 16 8.718 -1.355 -2.134 1.00 0.00 C ATOM 189 C ARG A 16 8.246 -2.765 -2.475 1.00 0.00 C ATOM 190 O ARG A 16 7.322 -3.288 -1.853 1.00 0.00 O ATOM 191 CB ARG A 16 9.502 -1.372 -0.820 1.00 0.00 C ATOM 192 CG ARG A 16 8.683 -1.843 0.371 1.00 0.00 C ATOM 193 CD ARG A 16 9.527 -1.912 1.634 1.00 0.00 C ATOM 194 NE ARG A 16 10.587 -2.911 1.530 1.00 0.00 N ATOM 195 CZ ARG A 16 11.645 -2.947 2.332 1.00 0.00 C ATOM 196 NH1 ARG A 16 11.783 -2.044 3.294 1.00 0.00 N ATOM 197 NH2 ARG A 16 12.568 -3.888 2.175 1.00 0.00 N ATOM 0 H ARG A 16 6.733 -0.859 -1.679 1.00 0.00 H new ATOM 0 HA ARG A 16 9.371 -1.005 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.370 -2.021 -0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.878 -0.369 -0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.845 -1.165 0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.262 -2.826 0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.968 -0.934 1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.888 -2.149 2.485 1.00 0.00 H new ATOM 0 HE ARG A 16 10.511 -3.620 0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.076 -1.320 3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.596 -2.074 3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.465 -4.585 1.437 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.380 -3.914 2.792 1.00 0.00 H new ATOM 211 N ASN A 17 8.886 -3.375 -3.467 1.00 0.00 N ATOM 212 CA ASN A 17 8.530 -4.724 -3.892 1.00 0.00 C ATOM 213 C ASN A 17 8.651 -5.709 -2.733 1.00 0.00 C ATOM 214 O ASN A 17 9.622 -5.676 -1.977 1.00 0.00 O ATOM 215 CB ASN A 17 9.426 -5.170 -5.050 1.00 0.00 C ATOM 216 CG ASN A 17 10.866 -5.373 -4.621 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.228 -6.431 -4.105 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.695 -4.358 -4.834 1.00 0.00 N ATOM 0 H ASN A 17 9.654 -2.957 -3.992 1.00 0.00 H new ATOM 0 HA ASN A 17 7.493 -4.710 -4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.040 -6.100 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.388 -4.424 -5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.676 -4.436 -4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.351 -3.500 -5.265 1.00 0.00 H new ATOM 225 N GLU A 18 7.658 -6.583 -2.600 1.00 0.00 N ATOM 226 CA GLU A 18 7.654 -7.576 -1.533 1.00 0.00 C ATOM 227 C GLU A 18 7.037 -8.887 -2.012 1.00 0.00 C ATOM 228 O GLU A 18 6.565 -8.985 -3.144 1.00 0.00 O ATOM 229 CB GLU A 18 6.883 -7.051 -0.320 1.00 0.00 C ATOM 230 CG GLU A 18 5.375 -7.059 -0.506 1.00 0.00 C ATOM 231 CD GLU A 18 4.625 -6.862 0.796 1.00 0.00 C ATOM 232 OE1 GLU A 18 5.209 -6.280 1.734 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.455 -7.289 0.878 1.00 0.00 O ATOM 0 H GLU A 18 6.847 -6.623 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 18 8.688 -7.765 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.136 -7.656 0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.209 -6.033 -0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.095 -6.271 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.073 -8.005 -0.955 1.00 0.00 H new ATOM 240 N GLU A 19 7.047 -9.892 -1.142 1.00 0.00 N ATOM 241 CA GLU A 19 6.490 -11.197 -1.477 1.00 0.00 C ATOM 242 C GLU A 19 5.682 -11.760 -0.311 1.00 0.00 C ATOM 243 O GLU A 19 5.792 -11.287 0.819 1.00 0.00 O ATOM 244 CB GLU A 19 7.607 -12.172 -1.855 1.00 0.00 C ATOM 245 CG GLU A 19 8.447 -12.623 -0.673 1.00 0.00 C ATOM 246 CD GLU A 19 9.444 -13.705 -1.043 1.00 0.00 C ATOM 247 OE1 GLU A 19 9.154 -14.485 -1.974 1.00 0.00 O ATOM 248 OE2 GLU A 19 10.514 -13.769 -0.403 1.00 0.00 O ATOM 0 H GLU A 19 7.434 -9.827 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 19 5.824 -11.070 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.167 -13.048 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.256 -11.699 -2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.982 -11.766 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.790 -12.993 0.114 1.00 0.00 H new ATOM 255 N ALA A 20 4.871 -12.774 -0.595 1.00 0.00 N ATOM 256 CA ALA A 20 4.046 -13.403 0.429 1.00 0.00 C ATOM 257 C ALA A 20 3.544 -14.767 -0.032 1.00 0.00 C ATOM 258 O ALA A 20 3.880 -15.227 -1.123 1.00 0.00 O ATOM 259 CB ALA A 20 2.875 -12.501 0.790 1.00 0.00 C ATOM 0 H ALA A 20 4.768 -13.177 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 20 4.662 -13.553 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.267 -12.983 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.251 -11.551 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.267 -12.322 -0.097 1.00 0.00 H new ATOM 265 N VAL A 21 2.737 -15.409 0.807 1.00 0.00 N ATOM 266 CA VAL A 21 2.188 -16.721 0.485 1.00 0.00 C ATOM 267 C VAL A 21 0.712 -16.623 0.116 1.00 0.00 C ATOM 268 O VAL A 21 -0.002 -15.745 0.599 1.00 0.00 O ATOM 269 CB VAL A 21 2.347 -17.700 1.663 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.737 -19.051 1.320 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.814 -17.848 2.038 1.00 0.00 C ATOM 0 H VAL A 21 2.449 -15.042 1.714 1.00 0.00 H new ATOM 0 HA VAL A 21 2.749 -17.098 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 21 1.815 -17.296 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.859 -19.730 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.676 -18.927 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.239 -19.465 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.908 -18.543 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.371 -18.230 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.215 -16.877 2.328 1.00 0.00 H new ATOM 281 N GLU A 22 0.261 -17.531 -0.744 1.00 0.00 N ATOM 282 CA GLU A 22 -1.131 -17.546 -1.178 1.00 0.00 C ATOM 283 C GLU A 22 -2.075 -17.535 0.021 1.00 0.00 C ATOM 284 O GLU A 22 -1.784 -18.128 1.059 1.00 0.00 O ATOM 285 CB GLU A 22 -1.405 -18.776 -2.046 1.00 0.00 C ATOM 286 CG GLU A 22 -1.074 -18.571 -3.514 1.00 0.00 C ATOM 287 CD GLU A 22 -1.776 -19.570 -4.415 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.642 -20.787 -4.168 1.00 0.00 O ATOM 289 OE2 GLU A 22 -2.458 -19.134 -5.366 1.00 0.00 O ATOM 0 H GLU A 22 0.839 -18.265 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.310 -16.647 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.824 -19.616 -1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.456 -19.048 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.356 -17.560 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.004 -18.655 -3.655 1.00 0.00 H new ATOM 296 N GLY A 23 -3.208 -16.856 -0.131 1.00 0.00 N ATOM 297 CA GLY A 23 -4.177 -16.779 0.946 1.00 0.00 C ATOM 298 C GLY A 23 -3.829 -15.713 1.965 1.00 0.00 C ATOM 299 O GLY A 23 -4.705 -14.996 2.447 1.00 0.00 O ATOM 0 H GLY A 23 -3.472 -16.358 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.163 -16.571 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.239 -17.747 1.444 1.00 0.00 H new ATOM 303 N ALA A 24 -2.546 -15.608 2.295 1.00 0.00 N ATOM 304 CA ALA A 24 -2.084 -14.621 3.263 1.00 0.00 C ATOM 305 C ALA A 24 -2.530 -13.217 2.871 1.00 0.00 C ATOM 306 O ALA A 24 -3.172 -13.023 1.837 1.00 0.00 O ATOM 307 CB ALA A 24 -0.569 -14.678 3.392 1.00 0.00 C ATOM 0 H ALA A 24 -1.808 -16.195 1.906 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.530 -14.859 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.237 -13.936 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.269 -15.671 3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.113 -14.468 2.424 1.00 0.00 H new ATOM 313 N THR A 25 -2.188 -12.238 3.702 1.00 0.00 N ATOM 314 CA THR A 25 -2.555 -10.852 3.444 1.00 0.00 C ATOM 315 C THR A 25 -1.319 -9.988 3.220 1.00 0.00 C ATOM 316 O THR A 25 -0.595 -9.668 4.163 1.00 0.00 O ATOM 317 CB THR A 25 -3.376 -10.262 4.606 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.527 -11.076 4.855 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.814 -8.839 4.292 1.00 0.00 C ATOM 0 H THR A 25 -1.656 -12.380 4.561 1.00 0.00 H new ATOM 0 HA THR A 25 -3.165 -10.850 2.541 1.00 0.00 H new ATOM 0 HB THR A 25 -2.745 -10.243 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.043 -10.695 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.392 -8.444 5.127 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.935 -8.215 4.131 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.429 -8.838 3.392 1.00 0.00 H new ATOM 327 N ALA A 26 -1.084 -9.613 1.967 1.00 0.00 N ATOM 328 CA ALA A 26 0.064 -8.784 1.621 1.00 0.00 C ATOM 329 C ALA A 26 0.160 -7.569 2.538 1.00 0.00 C ATOM 330 O ALA A 26 -0.689 -7.366 3.405 1.00 0.00 O ATOM 331 CB ALA A 26 -0.023 -8.344 0.167 1.00 0.00 C ATOM 0 H ALA A 26 -1.673 -9.870 1.175 1.00 0.00 H new ATOM 0 HA ALA A 26 0.966 -9.381 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.840 -7.726 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.036 -9.222 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.936 -7.769 0.015 1.00 0.00 H new ATOM 337 N MET A 27 1.200 -6.765 2.340 1.00 0.00 N ATOM 338 CA MET A 27 1.406 -5.570 3.150 1.00 0.00 C ATOM 339 C MET A 27 2.209 -4.525 2.382 1.00 0.00 C ATOM 340 O MET A 27 3.393 -4.717 2.104 1.00 0.00 O ATOM 341 CB MET A 27 2.127 -5.928 4.452 1.00 0.00 C ATOM 342 CG MET A 27 2.438 -4.724 5.325 1.00 0.00 C ATOM 343 SD MET A 27 0.996 -4.133 6.233 1.00 0.00 S ATOM 344 CE MET A 27 0.384 -2.874 5.115 1.00 0.00 C ATOM 0 H MET A 27 1.912 -6.919 1.626 1.00 0.00 H new ATOM 0 HA MET A 27 0.429 -5.150 3.388 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.512 -6.628 5.018 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.057 -6.443 4.213 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.225 -4.986 6.032 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.825 -3.918 4.701 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.701 -2.948 5.043 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.656 -1.888 5.493 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.824 -3.018 4.128 1.00 0.00 H new ATOM 354 N LEU A 28 1.557 -3.418 2.042 1.00 0.00 N ATOM 355 CA LEU A 28 2.210 -2.342 1.305 1.00 0.00 C ATOM 356 C LEU A 28 2.026 -1.005 2.017 1.00 0.00 C ATOM 357 O LEU A 28 0.900 -0.565 2.250 1.00 0.00 O ATOM 358 CB LEU A 28 1.651 -2.257 -0.116 1.00 0.00 C ATOM 359 CG LEU A 28 1.894 -3.476 -1.006 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.770 -3.630 -2.019 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.238 -3.363 -1.711 1.00 0.00 C ATOM 0 H LEU A 28 0.577 -3.242 2.265 1.00 0.00 H new ATOM 0 HA LEU A 28 3.276 -2.564 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.576 -2.087 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.084 -1.384 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 28 1.911 -4.365 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.960 -4.503 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.177 -3.758 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.720 -2.739 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.394 -4.239 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.250 -2.466 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.034 -3.303 -0.969 1.00 0.00 H new ATOM 373 N TRP A 29 3.138 -0.364 2.356 1.00 0.00 N ATOM 374 CA TRP A 29 3.099 0.925 3.039 1.00 0.00 C ATOM 375 C TRP A 29 3.952 1.955 2.308 1.00 0.00 C ATOM 376 O TRP A 29 4.872 1.600 1.569 1.00 0.00 O ATOM 377 CB TRP A 29 3.582 0.775 4.482 1.00 0.00 C ATOM 378 CG TRP A 29 5.062 0.563 4.594 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.715 -0.633 4.679 1.00 0.00 C ATOM 380 CD2 TRP A 29 6.072 1.577 4.633 1.00 0.00 C ATOM 381 NE1 TRP A 29 7.070 -0.424 4.770 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.315 0.923 4.743 1.00 0.00 C ATOM 383 CE3 TRP A 29 6.048 2.974 4.585 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.519 1.619 4.806 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.244 3.663 4.648 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.466 2.986 4.757 1.00 0.00 C ATOM 0 H TRP A 29 4.078 -0.715 2.170 1.00 0.00 H new ATOM 0 HA TRP A 29 2.067 1.275 3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.306 1.667 5.044 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.066 -0.066 4.945 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.237 -1.601 4.675 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.779 -1.154 4.845 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.111 3.505 4.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.462 1.099 4.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.237 4.742 4.613 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.384 3.554 4.803 1.00 0.00 H new ATOM 397 N CYS A 30 3.643 3.229 2.518 1.00 0.00 N ATOM 398 CA CYS A 30 4.383 4.311 1.877 1.00 0.00 C ATOM 399 C CYS A 30 4.175 5.626 2.621 1.00 0.00 C ATOM 400 O CYS A 30 3.050 5.982 2.970 1.00 0.00 O ATOM 401 CB CYS A 30 3.947 4.461 0.419 1.00 0.00 C ATOM 402 SG CYS A 30 2.222 4.962 0.212 1.00 0.00 S ATOM 0 H CYS A 30 2.886 3.539 3.127 1.00 0.00 H new ATOM 0 HA CYS A 30 5.444 4.061 1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.588 5.196 -0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.103 3.513 -0.095 1.00 0.00 H new ATOM 0 HG CYS A 30 1.825 5.600 1.273 1.00 0.00 H new ATOM 408 N GLU A 31 5.268 6.343 2.861 1.00 0.00 N ATOM 409 CA GLU A 31 5.205 7.618 3.566 1.00 0.00 C ATOM 410 C GLU A 31 5.053 8.776 2.583 1.00 0.00 C ATOM 411 O GLU A 31 5.412 8.662 1.411 1.00 0.00 O ATOM 412 CB GLU A 31 6.462 7.819 4.416 1.00 0.00 C ATOM 413 CG GLU A 31 6.336 7.267 5.826 1.00 0.00 C ATOM 414 CD GLU A 31 7.617 7.412 6.626 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.640 6.821 6.221 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.595 8.117 7.656 1.00 0.00 O ATOM 0 H GLU A 31 6.207 6.063 2.578 1.00 0.00 H new ATOM 0 HA GLU A 31 4.332 7.600 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.306 7.339 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.688 8.884 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.528 7.784 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.060 6.214 5.777 1.00 0.00 H new ATOM 423 N LEU A 32 4.518 9.890 3.070 1.00 0.00 N ATOM 424 CA LEU A 32 4.316 11.070 2.236 1.00 0.00 C ATOM 425 C LEU A 32 4.711 12.340 2.984 1.00 0.00 C ATOM 426 O LEU A 32 4.673 12.385 4.214 1.00 0.00 O ATOM 427 CB LEU A 32 2.856 11.161 1.790 1.00 0.00 C ATOM 428 CG LEU A 32 2.254 9.885 1.199 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.758 9.827 1.466 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.534 9.807 -0.295 1.00 0.00 C ATOM 0 H LEU A 32 4.216 10.001 4.038 1.00 0.00 H new ATOM 0 HA LEU A 32 4.953 10.975 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.253 11.460 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.772 11.956 1.049 1.00 0.00 H new ATOM 0 HG LEU A 32 2.722 9.027 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.347 8.912 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.580 9.837 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.273 10.690 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.099 8.893 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.093 10.670 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.611 9.802 -0.464 1.00 0.00 H new ATOM 442 N SER A 33 5.089 13.369 2.233 1.00 0.00 N ATOM 443 CA SER A 33 5.492 14.640 2.825 1.00 0.00 C ATOM 444 C SER A 33 4.460 15.117 3.842 1.00 0.00 C ATOM 445 O SER A 33 4.794 15.798 4.812 1.00 0.00 O ATOM 446 CB SER A 33 5.680 15.697 1.736 1.00 0.00 C ATOM 447 OG SER A 33 6.052 16.945 2.295 1.00 0.00 O ATOM 0 H SER A 33 5.125 13.348 1.214 1.00 0.00 H new ATOM 0 HA SER A 33 6.440 14.488 3.341 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.445 15.367 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.755 15.810 1.171 1.00 0.00 H new ATOM 0 HG SER A 33 6.168 17.603 1.578 1.00 0.00 H new ATOM 453 N LYS A 34 3.202 14.756 3.612 1.00 0.00 N ATOM 454 CA LYS A 34 2.118 15.145 4.507 1.00 0.00 C ATOM 455 C LYS A 34 0.931 14.198 4.368 1.00 0.00 C ATOM 456 O LYS A 34 0.822 13.463 3.386 1.00 0.00 O ATOM 457 CB LYS A 34 1.677 16.581 4.212 1.00 0.00 C ATOM 458 CG LYS A 34 1.162 16.780 2.797 1.00 0.00 C ATOM 459 CD LYS A 34 -0.330 16.510 2.703 1.00 0.00 C ATOM 460 CE LYS A 34 -0.979 17.340 1.607 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.455 18.656 2.117 1.00 0.00 N ATOM 0 H LYS A 34 2.908 14.194 2.813 1.00 0.00 H new ATOM 0 HA LYS A 34 2.487 15.088 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.896 16.865 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.519 17.253 4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.369 17.800 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.696 16.116 2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.497 15.451 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.802 16.735 3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.263 17.500 0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.819 16.789 1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.891 19.192 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.157 18.504 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.650 19.192 2.498 1.00 0.00 H new ATOM 475 N VAL A 35 0.042 14.222 5.355 1.00 0.00 N ATOM 476 CA VAL A 35 -1.140 13.367 5.341 1.00 0.00 C ATOM 477 C VAL A 35 -2.098 13.773 4.228 1.00 0.00 C ATOM 478 O VAL A 35 -2.546 14.918 4.166 1.00 0.00 O ATOM 479 CB VAL A 35 -1.884 13.417 6.689 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.984 12.367 6.730 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.911 13.227 7.842 1.00 0.00 C ATOM 0 H VAL A 35 0.117 14.824 6.175 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.793 12.349 5.164 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.347 14.398 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.499 12.417 7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.696 12.554 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.547 11.377 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.454 13.265 8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.418 12.260 7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.163 14.020 7.821 1.00 0.00 H new ATOM 491 N ALA A 36 -2.410 12.826 3.349 1.00 0.00 N ATOM 492 CA ALA A 36 -3.318 13.084 2.238 1.00 0.00 C ATOM 493 C ALA A 36 -3.982 11.797 1.761 1.00 0.00 C ATOM 494 O ALA A 36 -3.476 10.694 1.972 1.00 0.00 O ATOM 495 CB ALA A 36 -2.574 13.752 1.092 1.00 0.00 C ATOM 0 H ALA A 36 -2.047 11.873 3.385 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.100 13.757 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.265 13.939 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.153 14.697 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.771 13.099 0.750 1.00 0.00 H new ATOM 501 N PRO A 37 -5.142 11.937 1.103 1.00 0.00 N ATOM 502 CA PRO A 37 -5.899 10.795 0.582 1.00 0.00 C ATOM 503 C PRO A 37 -5.200 10.123 -0.594 1.00 0.00 C ATOM 504 O PRO A 37 -5.193 10.648 -1.708 1.00 0.00 O ATOM 505 CB PRO A 37 -7.221 11.422 0.131 1.00 0.00 C ATOM 506 CG PRO A 37 -6.886 12.844 -0.157 1.00 0.00 C ATOM 507 CD PRO A 37 -5.803 13.220 0.815 1.00 0.00 C ATOM 0 HA PRO A 37 -6.016 10.010 1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.616 10.921 -0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.982 11.344 0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.546 12.964 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.760 13.483 -0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.109 13.942 0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.213 13.672 1.718 1.00 0.00 H new ATOM 515 N VAL A 38 -4.612 8.957 -0.341 1.00 0.00 N ATOM 516 CA VAL A 38 -3.911 8.213 -1.380 1.00 0.00 C ATOM 517 C VAL A 38 -4.888 7.423 -2.244 1.00 0.00 C ATOM 518 O VAL A 38 -6.053 7.254 -1.885 1.00 0.00 O ATOM 519 CB VAL A 38 -2.878 7.243 -0.775 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.816 8.009 -0.002 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.566 6.221 0.117 1.00 0.00 C ATOM 0 H VAL A 38 -4.608 8.508 0.575 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.393 8.945 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.387 6.709 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.095 7.308 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.303 8.698 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.287 8.571 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.822 5.544 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.085 6.735 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.285 5.651 -0.471 1.00 0.00 H new ATOM 531 N GLU A 39 -4.405 6.942 -3.385 1.00 0.00 N ATOM 532 CA GLU A 39 -5.236 6.170 -4.301 1.00 0.00 C ATOM 533 C GLU A 39 -4.489 4.940 -4.808 1.00 0.00 C ATOM 534 O GLU A 39 -3.591 5.047 -5.643 1.00 0.00 O ATOM 535 CB GLU A 39 -5.674 7.038 -5.482 1.00 0.00 C ATOM 536 CG GLU A 39 -6.471 8.265 -5.074 1.00 0.00 C ATOM 537 CD GLU A 39 -7.921 7.943 -4.766 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.201 6.795 -4.362 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.774 8.840 -4.930 1.00 0.00 O ATOM 0 H GLU A 39 -3.443 7.073 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.120 5.838 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.790 7.357 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.275 6.435 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.009 8.719 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.429 9.004 -5.874 1.00 0.00 H new ATOM 546 N TRP A 40 -4.867 3.773 -4.298 1.00 0.00 N ATOM 547 CA TRP A 40 -4.233 2.522 -4.698 1.00 0.00 C ATOM 548 C TRP A 40 -4.863 1.977 -5.975 1.00 0.00 C ATOM 549 O TRP A 40 -6.086 1.966 -6.119 1.00 0.00 O ATOM 550 CB TRP A 40 -4.345 1.488 -3.577 1.00 0.00 C ATOM 551 CG TRP A 40 -3.822 1.978 -2.262 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.444 2.835 -1.400 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.567 1.642 -1.660 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.652 3.052 -0.298 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.495 2.331 -0.433 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.498 0.825 -2.036 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.397 2.227 0.416 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.408 0.723 -1.193 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.364 1.420 0.022 1.00 0.00 C ATOM 0 H TRP A 40 -5.609 3.667 -3.607 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.179 2.723 -4.892 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.390 1.202 -3.460 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.799 0.590 -3.865 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.416 3.278 -1.561 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.887 3.652 0.492 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.523 0.282 -2.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.361 2.764 1.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.424 0.095 -1.475 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.502 1.318 0.660 1.00 0.00 H new ATOM 570 N ARG A 41 -4.022 1.526 -6.900 1.00 0.00 N ATOM 571 CA ARG A 41 -4.497 0.980 -8.165 1.00 0.00 C ATOM 572 C ARG A 41 -3.621 -0.183 -8.619 1.00 0.00 C ATOM 573 O ARG A 41 -2.453 -0.279 -8.243 1.00 0.00 O ATOM 574 CB ARG A 41 -4.515 2.069 -9.240 1.00 0.00 C ATOM 575 CG ARG A 41 -5.814 2.857 -9.287 1.00 0.00 C ATOM 576 CD ARG A 41 -5.682 4.097 -10.157 1.00 0.00 C ATOM 577 NE ARG A 41 -6.027 3.828 -11.550 1.00 0.00 N ATOM 578 CZ ARG A 41 -6.050 4.761 -12.495 1.00 0.00 C ATOM 579 NH1 ARG A 41 -5.748 6.018 -12.198 1.00 0.00 N ATOM 580 NH2 ARG A 41 -6.374 4.438 -13.741 1.00 0.00 N ATOM 0 H ARG A 41 -3.007 1.528 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.511 0.610 -8.014 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.689 2.757 -9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.343 1.610 -10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.612 2.223 -9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.101 3.149 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.330 4.883 -9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.660 4.471 -10.103 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.263 2.871 -11.812 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.497 6.270 -11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.766 6.733 -12.926 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.606 3.472 -13.974 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.391 5.155 -14.466 1.00 0.00 H new ATOM 594 N LYS A 42 -4.193 -1.067 -9.430 1.00 0.00 N ATOM 595 CA LYS A 42 -3.466 -2.224 -9.936 1.00 0.00 C ATOM 596 C LYS A 42 -3.473 -2.247 -11.462 1.00 0.00 C ATOM 597 O LYS A 42 -4.308 -2.908 -12.078 1.00 0.00 O ATOM 598 CB LYS A 42 -4.081 -3.517 -9.394 1.00 0.00 C ATOM 599 CG LYS A 42 -3.220 -4.745 -9.629 1.00 0.00 C ATOM 600 CD LYS A 42 -3.765 -5.958 -8.893 1.00 0.00 C ATOM 601 CE LYS A 42 -2.935 -7.201 -9.176 1.00 0.00 C ATOM 602 NZ LYS A 42 -1.600 -7.137 -8.520 1.00 0.00 N ATOM 0 H LYS A 42 -5.159 -1.003 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.433 -2.149 -9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.256 -3.406 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.054 -3.671 -9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.172 -4.958 -10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.201 -4.545 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.773 -5.761 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.798 -6.133 -9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.470 -8.083 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.806 -7.314 -10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.326 -8.087 -8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.896 -6.786 -9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.644 -6.493 -7.704 1.00 0.00 H new ATOM 616 N GLY A 43 -2.537 -1.520 -12.064 1.00 0.00 N ATOM 617 CA GLY A 43 -2.453 -1.472 -13.512 1.00 0.00 C ATOM 618 C GLY A 43 -3.777 -1.118 -14.158 1.00 0.00 C ATOM 619 O GLY A 43 -4.348 -0.055 -13.912 1.00 0.00 O ATOM 0 H GLY A 43 -1.836 -0.964 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.702 -0.739 -13.805 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.117 -2.439 -13.886 1.00 0.00 H new ATOM 623 N PRO A 44 -4.286 -2.022 -15.009 1.00 0.00 N ATOM 624 CA PRO A 44 -5.557 -1.821 -15.710 1.00 0.00 C ATOM 625 C PRO A 44 -6.756 -1.886 -14.770 1.00 0.00 C ATOM 626 O PRO A 44 -7.887 -1.620 -15.173 1.00 0.00 O ATOM 627 CB PRO A 44 -5.598 -2.980 -16.710 1.00 0.00 C ATOM 628 CG PRO A 44 -4.743 -4.036 -16.100 1.00 0.00 C ATOM 629 CD PRO A 44 -3.660 -3.310 -15.350 1.00 0.00 C ATOM 0 HA PRO A 44 -5.614 -0.837 -16.174 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.617 -3.335 -16.863 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.217 -2.676 -17.685 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.324 -4.670 -15.430 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.319 -4.686 -16.866 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.353 -3.856 -14.458 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.769 -3.174 -15.963 1.00 0.00 H new ATOM 637 N GLU A 45 -6.498 -2.240 -13.515 1.00 0.00 N ATOM 638 CA GLU A 45 -7.557 -2.341 -12.517 1.00 0.00 C ATOM 639 C GLU A 45 -7.591 -1.097 -11.633 1.00 0.00 C ATOM 640 O GLU A 45 -6.665 -0.288 -11.647 1.00 0.00 O ATOM 641 CB GLU A 45 -7.360 -3.589 -11.655 1.00 0.00 C ATOM 642 CG GLU A 45 -8.015 -4.834 -12.227 1.00 0.00 C ATOM 643 CD GLU A 45 -7.963 -6.012 -11.272 1.00 0.00 C ATOM 644 OE1 GLU A 45 -8.081 -5.789 -10.049 1.00 0.00 O ATOM 645 OE2 GLU A 45 -7.805 -7.155 -11.748 1.00 0.00 O ATOM 0 H GLU A 45 -5.566 -2.462 -13.165 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.509 -2.419 -13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.292 -3.773 -11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.764 -3.401 -10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.054 -4.614 -12.470 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.520 -5.105 -13.159 1.00 0.00 H new ATOM 652 N ASN A 46 -8.666 -0.954 -10.865 1.00 0.00 N ATOM 653 CA ASN A 46 -8.822 0.191 -9.975 1.00 0.00 C ATOM 654 C ASN A 46 -9.183 -0.263 -8.563 1.00 0.00 C ATOM 655 O ASN A 46 -10.302 -0.713 -8.311 1.00 0.00 O ATOM 656 CB ASN A 46 -9.900 1.136 -10.509 1.00 0.00 C ATOM 657 CG ASN A 46 -9.797 1.341 -12.009 1.00 0.00 C ATOM 658 OD1 ASN A 46 -9.157 2.283 -12.475 1.00 0.00 O ATOM 659 ND2 ASN A 46 -10.429 0.456 -12.771 1.00 0.00 N ATOM 0 H ASN A 46 -9.442 -1.616 -10.841 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.870 0.721 -9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.884 0.735 -10.266 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.816 2.100 -10.007 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.396 0.542 -13.787 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.948 -0.309 -12.340 1.00 0.00 H new ATOM 666 N LEU A 47 -8.229 -0.143 -7.647 1.00 0.00 N ATOM 667 CA LEU A 47 -8.446 -0.540 -6.260 1.00 0.00 C ATOM 668 C LEU A 47 -8.958 0.634 -5.431 1.00 0.00 C ATOM 669 O LEU A 47 -8.894 1.786 -5.862 1.00 0.00 O ATOM 670 CB LEU A 47 -7.149 -1.079 -5.655 1.00 0.00 C ATOM 671 CG LEU A 47 -6.304 -1.972 -6.564 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.990 -2.330 -5.888 1.00 0.00 C ATOM 673 CD2 LEU A 47 -7.073 -3.230 -6.939 1.00 0.00 C ATOM 0 H LEU A 47 -7.298 0.226 -7.839 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.201 -1.326 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.538 -0.232 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.398 -1.642 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.081 -1.421 -7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.402 -2.966 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.433 -1.419 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.192 -2.862 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.457 -3.854 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.327 -3.784 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.987 -2.954 -7.465 1.00 0.00 H new ATOM 685 N ARG A 48 -9.465 0.334 -4.240 1.00 0.00 N ATOM 686 CA ARG A 48 -9.987 1.365 -3.350 1.00 0.00 C ATOM 687 C ARG A 48 -10.287 0.790 -1.969 1.00 0.00 C ATOM 688 O ARG A 48 -10.235 -0.424 -1.766 1.00 0.00 O ATOM 689 CB ARG A 48 -11.253 1.986 -3.942 1.00 0.00 C ATOM 690 CG ARG A 48 -12.351 0.974 -4.229 1.00 0.00 C ATOM 691 CD ARG A 48 -13.508 1.607 -4.986 1.00 0.00 C ATOM 692 NE ARG A 48 -13.268 1.640 -6.426 1.00 0.00 N ATOM 693 CZ ARG A 48 -14.238 1.706 -7.331 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.506 1.745 -6.948 1.00 0.00 N ATOM 695 NH2 ARG A 48 -13.939 1.732 -8.624 1.00 0.00 N ATOM 0 H ARG A 48 -9.526 -0.614 -3.869 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.226 2.138 -3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.635 2.738 -3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.996 2.503 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.943 0.148 -4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.715 0.554 -3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.422 1.049 -4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.667 2.622 -4.622 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.303 1.611 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.740 1.724 -5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.248 1.796 -7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.964 1.701 -8.923 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.684 1.783 -9.319 1.00 0.00 H new ATOM 709 N ASP A 49 -10.600 1.668 -1.023 1.00 0.00 N ATOM 710 CA ASP A 49 -10.909 1.248 0.338 1.00 0.00 C ATOM 711 C ASP A 49 -12.247 0.517 0.391 1.00 0.00 C ATOM 712 O ASP A 49 -13.284 1.072 0.032 1.00 0.00 O ATOM 713 CB ASP A 49 -10.938 2.458 1.274 1.00 0.00 C ATOM 714 CG ASP A 49 -11.581 3.671 0.631 1.00 0.00 C ATOM 715 OD1 ASP A 49 -12.752 3.569 0.209 1.00 0.00 O ATOM 716 OD2 ASP A 49 -10.914 4.724 0.552 1.00 0.00 O ATOM 0 H ASP A 49 -10.646 2.676 -1.174 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.128 0.563 0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.484 2.199 2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.920 2.706 1.574 1.00 0.00 H new ATOM 721 N GLY A 50 -12.214 -0.734 0.840 1.00 0.00 N ATOM 722 CA GLY A 50 -13.430 -1.522 0.931 1.00 0.00 C ATOM 723 C GLY A 50 -13.257 -2.758 1.790 1.00 0.00 C ATOM 724 O GLY A 50 -12.327 -2.840 2.592 1.00 0.00 O ATOM 0 H GLY A 50 -11.367 -1.216 1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.229 -0.906 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.742 -1.820 -0.070 1.00 0.00 H new ATOM 728 N ASP A 51 -14.156 -3.722 1.624 1.00 0.00 N ATOM 729 CA ASP A 51 -14.099 -4.961 2.392 1.00 0.00 C ATOM 730 C ASP A 51 -12.913 -5.816 1.957 1.00 0.00 C ATOM 731 O ASP A 51 -11.979 -6.038 2.729 1.00 0.00 O ATOM 732 CB ASP A 51 -15.400 -5.749 2.226 1.00 0.00 C ATOM 733 CG ASP A 51 -15.455 -6.970 3.122 1.00 0.00 C ATOM 734 OD1 ASP A 51 -14.842 -7.997 2.763 1.00 0.00 O ATOM 735 OD2 ASP A 51 -16.112 -6.900 4.182 1.00 0.00 O ATOM 0 H ASP A 51 -14.933 -3.670 0.965 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.971 -4.703 3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.246 -5.099 2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.503 -6.060 1.186 1.00 0.00 H new ATOM 740 N ARG A 52 -12.957 -6.293 0.718 1.00 0.00 N ATOM 741 CA ARG A 52 -11.887 -7.126 0.182 1.00 0.00 C ATOM 742 C ARG A 52 -10.523 -6.493 0.442 1.00 0.00 C ATOM 743 O ARG A 52 -9.584 -7.168 0.864 1.00 0.00 O ATOM 744 CB ARG A 52 -12.083 -7.341 -1.320 1.00 0.00 C ATOM 745 CG ARG A 52 -13.446 -7.908 -1.681 1.00 0.00 C ATOM 746 CD ARG A 52 -13.618 -8.027 -3.188 1.00 0.00 C ATOM 747 NE ARG A 52 -13.166 -9.322 -3.689 1.00 0.00 N ATOM 748 CZ ARG A 52 -12.838 -9.544 -4.957 1.00 0.00 C ATOM 749 NH1 ARG A 52 -12.911 -8.564 -5.847 1.00 0.00 N ATOM 750 NH2 ARG A 52 -12.435 -10.750 -5.337 1.00 0.00 N ATOM 0 H ARG A 52 -13.722 -6.117 0.066 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.923 -8.091 0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.946 -6.390 -1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.309 -8.016 -1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.567 -8.889 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.228 -7.267 -1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.668 -7.885 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.058 -7.232 -3.681 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.099 -10.098 -3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.220 -7.636 -5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.658 -8.739 -6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.377 -11.507 -4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.183 -10.920 -6.311 1.00 0.00 H new ATOM 764 N TYR A 53 -10.422 -5.193 0.187 1.00 0.00 N ATOM 765 CA TYR A 53 -9.172 -4.469 0.391 1.00 0.00 C ATOM 766 C TYR A 53 -9.225 -3.642 1.672 1.00 0.00 C ATOM 767 O TYR A 53 -9.985 -2.678 1.771 1.00 0.00 O ATOM 768 CB TYR A 53 -8.884 -3.561 -0.805 1.00 0.00 C ATOM 769 CG TYR A 53 -8.782 -4.302 -2.118 1.00 0.00 C ATOM 770 CD1 TYR A 53 -9.914 -4.571 -2.877 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.553 -4.734 -2.601 1.00 0.00 C ATOM 772 CE1 TYR A 53 -9.826 -5.249 -4.077 1.00 0.00 C ATOM 773 CE2 TYR A 53 -7.454 -5.412 -3.801 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.593 -5.667 -4.535 1.00 0.00 C ATOM 775 OH TYR A 53 -8.501 -6.342 -5.731 1.00 0.00 O ATOM 0 H TYR A 53 -11.190 -4.619 -0.161 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.369 -5.200 0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.673 -2.813 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.952 -3.025 -0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.880 -4.244 -2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.659 -4.536 -2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.717 -5.451 -4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.490 -5.740 -4.162 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.564 -6.565 -5.910 1.00 0.00 H new ATOM 785 N ILE A 54 -8.411 -4.025 2.650 1.00 0.00 N ATOM 786 CA ILE A 54 -8.362 -3.319 3.924 1.00 0.00 C ATOM 787 C ILE A 54 -7.337 -2.191 3.888 1.00 0.00 C ATOM 788 O ILE A 54 -6.162 -2.395 4.194 1.00 0.00 O ATOM 789 CB ILE A 54 -8.020 -4.272 5.083 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.058 -5.392 5.176 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.942 -3.505 6.395 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.674 -6.494 6.138 1.00 0.00 C ATOM 0 H ILE A 54 -7.776 -4.821 2.584 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.354 -2.900 4.091 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.046 -4.721 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.013 -4.967 5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.207 -5.821 4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.699 -4.193 7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.168 -2.741 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.903 -3.031 6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.456 -7.253 6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.735 -6.946 5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.554 -6.078 7.138 1.00 0.00 H new ATOM 804 N LEU A 55 -7.790 -0.999 3.514 1.00 0.00 N ATOM 805 CA LEU A 55 -6.913 0.164 3.440 1.00 0.00 C ATOM 806 C LEU A 55 -6.892 0.916 4.767 1.00 0.00 C ATOM 807 O LEU A 55 -7.929 1.092 5.408 1.00 0.00 O ATOM 808 CB LEU A 55 -7.366 1.099 2.318 1.00 0.00 C ATOM 809 CG LEU A 55 -7.094 0.618 0.892 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.962 -0.586 0.560 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.334 1.743 -0.105 1.00 0.00 C ATOM 0 H LEU A 55 -8.759 -0.813 3.257 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.903 -0.187 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.437 1.269 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.875 2.063 2.455 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.049 0.316 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.755 -0.914 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.741 -1.396 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.013 -0.311 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.136 1.383 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.370 2.076 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.669 2.577 0.120 1.00 0.00 H new ATOM 823 N ARG A 56 -5.707 1.360 5.172 1.00 0.00 N ATOM 824 CA ARG A 56 -5.552 2.094 6.422 1.00 0.00 C ATOM 825 C ARG A 56 -4.714 3.352 6.213 1.00 0.00 C ATOM 826 O ARG A 56 -4.195 3.589 5.123 1.00 0.00 O ATOM 827 CB ARG A 56 -4.900 1.205 7.483 1.00 0.00 C ATOM 828 CG ARG A 56 -5.843 0.168 8.071 1.00 0.00 C ATOM 829 CD ARG A 56 -5.262 -0.464 9.326 1.00 0.00 C ATOM 830 NE ARG A 56 -6.270 -1.203 10.083 1.00 0.00 N ATOM 831 CZ ARG A 56 -6.171 -1.459 11.383 1.00 0.00 C ATOM 832 NH1 ARG A 56 -5.117 -1.037 12.067 1.00 0.00 N ATOM 833 NH2 ARG A 56 -7.129 -2.138 12.001 1.00 0.00 N ATOM 0 H ARG A 56 -4.840 1.224 4.652 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.543 2.391 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.043 0.696 7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.518 1.834 8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.799 0.636 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.041 -0.607 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.450 -1.137 9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.832 0.313 9.958 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.094 -1.541 9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.379 -0.514 11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.044 -1.235 13.065 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.942 -2.464 11.478 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.052 -2.334 12.999 1.00 0.00 H new ATOM 847 N GLN A 57 -4.589 4.155 7.265 1.00 0.00 N ATOM 848 CA GLN A 57 -3.816 5.390 7.195 1.00 0.00 C ATOM 849 C GLN A 57 -3.720 6.049 8.567 1.00 0.00 C ATOM 850 O GLN A 57 -4.706 6.573 9.085 1.00 0.00 O ATOM 851 CB GLN A 57 -4.450 6.357 6.195 1.00 0.00 C ATOM 852 CG GLN A 57 -3.550 7.526 5.825 1.00 0.00 C ATOM 853 CD GLN A 57 -4.206 8.481 4.848 1.00 0.00 C ATOM 854 OE1 GLN A 57 -5.421 8.447 4.649 1.00 0.00 O ATOM 855 NE2 GLN A 57 -3.404 9.341 4.231 1.00 0.00 N ATOM 0 H GLN A 57 -5.012 3.973 8.175 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.809 5.141 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.712 5.810 5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.379 6.743 6.614 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.276 8.069 6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.626 7.145 5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.403 9.335 4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.789 10.008 3.562 1.00 0.00 H new ATOM 864 N GLU A 58 -2.525 6.019 9.150 1.00 0.00 N ATOM 865 CA GLU A 58 -2.301 6.613 10.463 1.00 0.00 C ATOM 866 C GLU A 58 -1.397 7.838 10.359 1.00 0.00 C ATOM 867 O GLU A 58 -0.488 8.022 11.167 1.00 0.00 O ATOM 868 CB GLU A 58 -1.681 5.587 11.413 1.00 0.00 C ATOM 869 CG GLU A 58 -2.502 4.315 11.555 1.00 0.00 C ATOM 870 CD GLU A 58 -1.659 3.119 11.952 1.00 0.00 C ATOM 871 OE1 GLU A 58 -1.031 2.514 11.058 1.00 0.00 O ATOM 872 OE2 GLU A 58 -1.628 2.787 13.155 1.00 0.00 O ATOM 0 H GLU A 58 -1.698 5.590 8.734 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.266 6.928 10.860 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.685 5.328 11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.558 6.042 12.396 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.280 4.471 12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.004 4.104 10.611 1.00 0.00 H new ATOM 879 N GLY A 59 -1.653 8.672 9.356 1.00 0.00 N ATOM 880 CA GLY A 59 -0.853 9.868 9.163 1.00 0.00 C ATOM 881 C GLY A 59 -0.216 9.923 7.789 1.00 0.00 C ATOM 882 O GLY A 59 -0.860 9.621 6.784 1.00 0.00 O ATOM 0 H GLY A 59 -2.400 8.541 8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.480 10.748 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.073 9.907 9.924 1.00 0.00 H new ATOM 886 N THR A 60 1.055 10.313 7.743 1.00 0.00 N ATOM 887 CA THR A 60 1.779 10.410 6.482 1.00 0.00 C ATOM 888 C THR A 60 2.026 9.031 5.882 1.00 0.00 C ATOM 889 O THR A 60 2.170 8.888 4.668 1.00 0.00 O ATOM 890 CB THR A 60 3.130 11.128 6.664 1.00 0.00 C ATOM 891 OG1 THR A 60 3.915 10.451 7.652 1.00 0.00 O ATOM 892 CG2 THR A 60 2.921 12.576 7.080 1.00 0.00 C ATOM 0 H THR A 60 1.603 10.567 8.565 1.00 0.00 H new ATOM 0 HA THR A 60 1.155 10.992 5.803 1.00 0.00 H new ATOM 0 HB THR A 60 3.656 11.113 5.710 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.773 10.912 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.889 13.063 7.203 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.348 13.096 6.312 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.376 12.608 8.024 1.00 0.00 H new ATOM 900 N ARG A 61 2.074 8.017 6.740 1.00 0.00 N ATOM 901 CA ARG A 61 2.305 6.648 6.294 1.00 0.00 C ATOM 902 C ARG A 61 0.983 5.920 6.069 1.00 0.00 C ATOM 903 O ARG A 61 0.067 6.009 6.888 1.00 0.00 O ATOM 904 CB ARG A 61 3.149 5.890 7.320 1.00 0.00 C ATOM 905 CG ARG A 61 3.359 4.426 6.973 1.00 0.00 C ATOM 906 CD ARG A 61 3.509 3.573 8.223 1.00 0.00 C ATOM 907 NE ARG A 61 4.117 2.277 7.932 1.00 0.00 N ATOM 908 CZ ARG A 61 5.428 2.085 7.835 1.00 0.00 C ATOM 909 NH1 ARG A 61 6.264 3.100 8.005 1.00 0.00 N ATOM 910 NH2 ARG A 61 5.905 0.876 7.567 1.00 0.00 N ATOM 0 H ARG A 61 1.956 8.118 7.748 1.00 0.00 H new ATOM 0 HA ARG A 61 2.845 6.687 5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.120 6.376 7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.667 5.958 8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.515 4.066 6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.248 4.322 6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.120 4.104 8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.530 3.420 8.677 1.00 0.00 H new ATOM 0 HE ARG A 61 3.501 1.475 7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.901 4.031 8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.270 2.950 7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.265 0.093 7.435 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.912 0.730 7.493 1.00 0.00 H new ATOM 924 N CYS A 62 0.891 5.201 4.956 1.00 0.00 N ATOM 925 CA CYS A 62 -0.319 4.458 4.623 1.00 0.00 C ATOM 926 C CYS A 62 -0.059 2.956 4.651 1.00 0.00 C ATOM 927 O CYS A 62 1.089 2.515 4.670 1.00 0.00 O ATOM 928 CB CYS A 62 -0.833 4.873 3.244 1.00 0.00 C ATOM 929 SG CYS A 62 -1.201 6.637 3.093 1.00 0.00 S ATOM 0 H CYS A 62 1.640 5.117 4.269 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.077 4.691 5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.089 4.603 2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.735 4.304 3.018 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.388 6.791 2.586 1.00 0.00 H new ATOM 935 N GLU A 63 -1.135 2.174 4.657 1.00 0.00 N ATOM 936 CA GLU A 63 -1.023 0.721 4.686 1.00 0.00 C ATOM 937 C GLU A 63 -2.152 0.072 3.891 1.00 0.00 C ATOM 938 O GLU A 63 -3.329 0.358 4.116 1.00 0.00 O ATOM 939 CB GLU A 63 -1.044 0.214 6.129 1.00 0.00 C ATOM 940 CG GLU A 63 0.132 0.698 6.962 1.00 0.00 C ATOM 941 CD GLU A 63 0.121 0.135 8.369 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.811 0.464 9.133 1.00 0.00 O ATOM 943 OE2 GLU A 63 1.045 -0.635 8.708 1.00 0.00 O ATOM 0 H GLU A 63 -2.093 2.523 4.642 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.074 0.447 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.971 0.534 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.049 -0.876 6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.062 0.416 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.115 1.787 7.010 1.00 0.00 H new ATOM 950 N LEU A 64 -1.786 -0.802 2.960 1.00 0.00 N ATOM 951 CA LEU A 64 -2.768 -1.493 2.131 1.00 0.00 C ATOM 952 C LEU A 64 -2.727 -2.997 2.377 1.00 0.00 C ATOM 953 O LEU A 64 -1.684 -3.632 2.226 1.00 0.00 O ATOM 954 CB LEU A 64 -2.510 -1.200 0.651 1.00 0.00 C ATOM 955 CG LEU A 64 -3.152 -2.165 -0.346 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.603 -1.787 -0.598 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.369 -2.183 -1.650 1.00 0.00 C ATOM 0 H LEU A 64 -0.817 -1.049 2.760 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.758 -1.126 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.867 -0.193 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.433 -1.200 0.484 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.129 -3.167 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.043 -2.485 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.158 -1.828 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.650 -0.777 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.840 -2.875 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.359 -1.182 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.346 -2.504 -1.456 1.00 0.00 H new ATOM 969 N GLN A 65 -3.870 -3.560 2.756 1.00 0.00 N ATOM 970 CA GLN A 65 -3.965 -4.991 3.022 1.00 0.00 C ATOM 971 C GLN A 65 -4.909 -5.667 2.033 1.00 0.00 C ATOM 972 O GLN A 65 -6.091 -5.329 1.958 1.00 0.00 O ATOM 973 CB GLN A 65 -4.447 -5.234 4.453 1.00 0.00 C ATOM 974 CG GLN A 65 -3.317 -5.354 5.463 1.00 0.00 C ATOM 975 CD GLN A 65 -3.775 -5.090 6.884 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.514 -4.140 7.145 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.337 -5.933 7.813 1.00 0.00 N ATOM 0 H GLN A 65 -4.742 -3.048 2.886 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.972 -5.424 2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.104 -4.416 4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.043 -6.146 4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.886 -6.354 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.526 -4.650 5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.726 -6.707 7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.612 -5.806 8.787 1.00 0.00 H new ATOM 986 N ILE A 66 -4.380 -6.622 1.276 1.00 0.00 N ATOM 987 CA ILE A 66 -5.177 -7.346 0.293 1.00 0.00 C ATOM 988 C ILE A 66 -5.642 -8.689 0.843 1.00 0.00 C ATOM 989 O ILE A 66 -4.922 -9.686 0.769 1.00 0.00 O ATOM 990 CB ILE A 66 -4.386 -7.583 -1.008 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.839 -6.259 -1.546 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.267 -8.260 -2.047 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.545 -6.408 -2.314 1.00 0.00 C ATOM 0 H ILE A 66 -3.403 -6.913 1.324 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.046 -6.726 0.073 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.544 -8.240 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.587 -5.803 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.681 -5.575 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.694 -8.421 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.613 -9.219 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.126 -7.626 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.216 -5.430 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.782 -6.835 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.703 -7.066 -3.168 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.851 -8.710 1.394 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.414 -9.932 1.957 1.00 0.00 C ATOM 1007 C CYS A 67 -7.701 -10.953 0.861 1.00 0.00 C ATOM 1008 O CYS A 67 -8.518 -10.713 -0.027 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.697 -9.619 2.728 1.00 0.00 C ATOM 1010 SG CYS A 67 -9.052 -10.777 4.070 1.00 0.00 S ATOM 0 H CYS A 67 -7.460 -7.895 1.463 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.682 -10.358 2.643 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.624 -8.613 3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.536 -9.618 2.032 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.155 -10.428 4.664 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.021 -12.094 0.929 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.215 -13.134 -0.064 1.00 0.00 C ATOM 1018 C GLY A 68 -6.170 -13.091 -1.161 1.00 0.00 C ATOM 1019 O GLY A 68 -6.456 -12.678 -2.286 1.00 0.00 O ATOM 0 H GLY A 68 -6.339 -12.316 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.185 -14.108 0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.206 -13.030 -0.506 1.00 0.00 H new ATOM 1023 N LEU A 69 -4.955 -13.517 -0.834 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.861 -13.524 -1.800 1.00 0.00 C ATOM 1025 C LEU A 69 -3.978 -14.715 -2.746 1.00 0.00 C ATOM 1026 O LEU A 69 -4.622 -15.713 -2.426 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.515 -13.564 -1.076 1.00 0.00 C ATOM 1028 CG LEU A 69 -1.981 -12.221 -0.577 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.773 -12.428 0.325 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.624 -11.320 -1.750 1.00 0.00 C ATOM 0 H LEU A 69 -4.702 -13.862 0.092 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.923 -12.608 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.604 -14.237 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.776 -13.999 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.764 -11.734 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.407 -11.461 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.060 -13.035 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.014 -12.936 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.246 -10.369 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.858 -11.801 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.512 -11.144 -2.357 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.349 -14.602 -3.912 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.379 -15.671 -4.902 1.00 0.00 C ATOM 1044 C ALA A 70 -2.462 -15.354 -6.079 1.00 0.00 C ATOM 1045 O ALA A 70 -2.232 -14.190 -6.403 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.803 -15.901 -5.387 1.00 0.00 C ATOM 0 H ALA A 70 -2.813 -13.781 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.017 -16.583 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.811 -16.702 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.434 -16.180 -4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.185 -14.986 -5.840 1.00 0.00 H new ATOM 1052 N MET A 71 -1.941 -16.399 -6.714 1.00 0.00 N ATOM 1053 CA MET A 71 -1.049 -16.231 -7.856 1.00 0.00 C ATOM 1054 C MET A 71 -1.450 -15.016 -8.686 1.00 0.00 C ATOM 1055 O MET A 71 -0.596 -14.298 -9.205 1.00 0.00 O ATOM 1056 CB MET A 71 -1.062 -17.487 -8.729 1.00 0.00 C ATOM 1057 CG MET A 71 -0.587 -18.736 -8.005 1.00 0.00 C ATOM 1058 SD MET A 71 1.199 -18.960 -8.104 1.00 0.00 S ATOM 1059 CE MET A 71 1.726 -18.157 -6.593 1.00 0.00 C ATOM 0 H MET A 71 -2.121 -17.370 -6.458 1.00 0.00 H new ATOM 0 HA MET A 71 -0.040 -16.071 -7.476 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.075 -17.653 -9.097 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.430 -17.320 -9.601 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.885 -18.679 -6.958 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.083 -19.608 -8.431 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.183 -17.197 -6.832 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.863 -17.997 -5.946 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.452 -18.787 -6.080 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.755 -14.792 -8.806 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.269 -13.663 -9.571 1.00 0.00 C ATOM 1071 C ALA A 72 -2.894 -12.339 -8.915 1.00 0.00 C ATOM 1072 O ALA A 72 -2.380 -11.433 -9.572 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.779 -13.771 -9.722 1.00 0.00 C ATOM 0 H ALA A 72 -3.475 -15.378 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.814 -13.689 -10.561 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.149 -12.921 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.027 -14.696 -10.243 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.244 -13.774 -8.736 1.00 0.00 H new ATOM 1079 N ASP A 73 -3.155 -12.233 -7.617 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.844 -11.018 -6.871 1.00 0.00 C ATOM 1081 C ASP A 73 -1.460 -10.494 -7.240 1.00 0.00 C ATOM 1082 O ASP A 73 -1.233 -9.285 -7.277 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.918 -11.285 -5.367 1.00 0.00 C ATOM 1084 CG ASP A 73 -4.345 -11.314 -4.854 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -5.020 -10.265 -4.917 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.786 -12.386 -4.390 1.00 0.00 O ATOM 0 H ASP A 73 -3.581 -12.973 -7.059 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.582 -10.260 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.436 -12.237 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.360 -10.514 -4.836 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.537 -11.411 -7.510 1.00 0.00 N ATOM 1092 CA ALA A 74 0.824 -11.041 -7.876 1.00 0.00 C ATOM 1093 C ALA A 74 0.848 -10.263 -9.187 1.00 0.00 C ATOM 1094 O ALA A 74 0.526 -10.801 -10.246 1.00 0.00 O ATOM 1095 CB ALA A 74 1.698 -12.282 -7.981 1.00 0.00 C ATOM 0 H ALA A 74 -0.707 -12.416 -7.482 1.00 0.00 H new ATOM 0 HA ALA A 74 1.221 -10.395 -7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.712 -11.991 -8.255 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.715 -12.797 -7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.294 -12.948 -8.743 1.00 0.00 H new ATOM 1101 N GLY A 75 1.231 -8.992 -9.109 1.00 0.00 N ATOM 1102 CA GLY A 75 1.288 -8.160 -10.297 1.00 0.00 C ATOM 1103 C GLY A 75 2.095 -6.896 -10.080 1.00 0.00 C ATOM 1104 O GLY A 75 3.309 -6.952 -9.887 1.00 0.00 O ATOM 0 H GLY A 75 1.503 -8.524 -8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.726 -8.731 -11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.275 -7.894 -10.599 1.00 0.00 H new ATOM 1108 N GLU A 76 1.420 -5.751 -10.114 1.00 0.00 N ATOM 1109 CA GLU A 76 2.084 -4.467 -9.923 1.00 0.00 C ATOM 1110 C GLU A 76 1.100 -3.416 -9.418 1.00 0.00 C ATOM 1111 O GLU A 76 0.192 -3.002 -10.141 1.00 0.00 O ATOM 1112 CB GLU A 76 2.722 -3.997 -11.232 1.00 0.00 C ATOM 1113 CG GLU A 76 3.270 -2.582 -11.168 1.00 0.00 C ATOM 1114 CD GLU A 76 4.199 -2.263 -12.324 1.00 0.00 C ATOM 1115 OE1 GLU A 76 5.234 -2.947 -12.459 1.00 0.00 O ATOM 1116 OE2 GLU A 76 3.889 -1.329 -13.092 1.00 0.00 O ATOM 0 H GLU A 76 0.414 -5.687 -10.272 1.00 0.00 H new ATOM 0 HA GLU A 76 2.865 -4.599 -9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.530 -4.679 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.981 -4.055 -12.029 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.441 -1.875 -11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.805 -2.446 -10.228 1.00 0.00 H new ATOM 1123 N TYR A 77 1.286 -2.988 -8.175 1.00 0.00 N ATOM 1124 CA TYR A 77 0.413 -1.987 -7.572 1.00 0.00 C ATOM 1125 C TYR A 77 1.039 -0.598 -7.654 1.00 0.00 C ATOM 1126 O TYR A 77 2.259 -0.448 -7.571 1.00 0.00 O ATOM 1127 CB TYR A 77 0.126 -2.344 -6.112 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.643 -3.635 -5.944 1.00 0.00 C ATOM 1129 CD1 TYR A 77 -0.053 -4.860 -6.230 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.960 -3.630 -5.501 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.752 -6.042 -6.079 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.666 -4.807 -5.345 1.00 0.00 C ATOM 1133 CZ TYR A 77 -2.058 -6.010 -5.636 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.758 -7.185 -5.483 1.00 0.00 O ATOM 0 H TYR A 77 2.033 -3.318 -7.565 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.524 -1.977 -8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.070 -2.421 -5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.438 -1.532 -5.652 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.970 -4.889 -6.576 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.440 -2.689 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.279 -6.986 -6.306 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.688 -4.785 -4.997 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.327 -7.893 -6.006 1.00 0.00 H new ATOM 1144 N LEU A 78 0.195 0.414 -7.817 1.00 0.00 N ATOM 1145 CA LEU A 78 0.663 1.793 -7.910 1.00 0.00 C ATOM 1146 C LEU A 78 -0.068 2.685 -6.912 1.00 0.00 C ATOM 1147 O LEU A 78 -1.265 2.518 -6.677 1.00 0.00 O ATOM 1148 CB LEU A 78 0.462 2.326 -9.330 1.00 0.00 C ATOM 1149 CG LEU A 78 1.410 1.773 -10.395 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.827 0.520 -11.030 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.694 2.827 -11.455 1.00 0.00 C ATOM 0 H LEU A 78 -0.817 0.306 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 78 1.726 1.806 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.562 2.110 -9.636 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.566 3.411 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 78 2.351 1.507 -9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.515 0.141 -11.785 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.675 -0.240 -10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.128 0.760 -11.497 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.370 2.416 -12.205 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.760 3.124 -11.932 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.155 3.697 -10.988 1.00 0.00 H new ATOM 1163 N CYS A 79 0.659 3.632 -6.330 1.00 0.00 N ATOM 1164 CA CYS A 79 0.079 4.552 -5.358 1.00 0.00 C ATOM 1165 C CYS A 79 0.104 5.984 -5.882 1.00 0.00 C ATOM 1166 O CYS A 79 1.164 6.603 -5.976 1.00 0.00 O ATOM 1167 CB CYS A 79 0.836 4.468 -4.031 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.105 5.061 -2.606 1.00 0.00 S ATOM 0 H CYS A 79 1.651 3.783 -6.514 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.959 4.263 -5.195 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.126 3.432 -3.856 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.756 5.047 -4.112 1.00 0.00 H new ATOM 0 HG CYS A 79 0.655 5.056 -1.551 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.070 6.504 -6.224 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.183 7.863 -6.740 1.00 0.00 C ATOM 1176 C VAL A 80 -1.540 8.844 -5.629 1.00 0.00 C ATOM 1177 O VAL A 80 -2.550 8.681 -4.944 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.246 7.954 -7.851 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.182 9.309 -8.540 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.063 6.827 -8.856 1.00 0.00 C ATOM 0 H VAL A 80 -1.957 6.005 -6.153 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.210 8.127 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.232 7.849 -7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.940 9.356 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.365 10.097 -7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.195 9.446 -8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.822 6.906 -9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.073 6.898 -9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.162 5.867 -8.349 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.705 9.863 -5.456 1.00 0.00 N ATOM 1191 CA CYS A 81 -0.932 10.872 -4.428 1.00 0.00 C ATOM 1192 C CYS A 81 -0.389 12.227 -4.867 1.00 0.00 C ATOM 1193 O CYS A 81 0.785 12.355 -5.212 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.275 10.447 -3.114 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.599 8.731 -2.647 1.00 0.00 S ATOM 0 H CYS A 81 0.135 10.012 -6.015 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.007 10.964 -4.275 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.802 10.593 -3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -0.626 11.102 -2.316 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.617 8.283 -3.320 1.00 0.00 H new ATOM 1201 N GLY A 82 -1.253 13.238 -4.853 1.00 0.00 N ATOM 1202 CA GLY A 82 -0.842 14.571 -5.254 1.00 0.00 C ATOM 1203 C GLY A 82 -0.454 14.642 -6.718 1.00 0.00 C ATOM 1204 O GLY A 82 -1.215 14.222 -7.589 1.00 0.00 O ATOM 0 H GLY A 82 -2.230 13.157 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.655 15.272 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.003 14.887 -4.642 1.00 0.00 H new ATOM 1208 N GLN A 83 0.732 15.177 -6.988 1.00 0.00 N ATOM 1209 CA GLN A 83 1.218 15.304 -8.357 1.00 0.00 C ATOM 1210 C GLN A 83 2.297 14.268 -8.650 1.00 0.00 C ATOM 1211 O GLN A 83 3.052 14.400 -9.613 1.00 0.00 O ATOM 1212 CB GLN A 83 1.767 16.712 -8.597 1.00 0.00 C ATOM 1213 CG GLN A 83 0.721 17.697 -9.094 1.00 0.00 C ATOM 1214 CD GLN A 83 1.307 19.059 -9.410 1.00 0.00 C ATOM 1215 OE1 GLN A 83 1.312 19.956 -8.567 1.00 0.00 O ATOM 1216 NE2 GLN A 83 1.804 19.221 -10.631 1.00 0.00 N ATOM 0 H GLN A 83 1.374 15.529 -6.278 1.00 0.00 H new ATOM 0 HA GLN A 83 0.380 15.129 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.196 17.089 -7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.577 16.658 -9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.244 17.295 -9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.057 17.807 -8.339 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.779 18.450 -11.298 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.211 20.116 -10.901 1.00 0.00 H new ATOM 1225 N GLU A 84 2.363 13.236 -7.814 1.00 0.00 N ATOM 1226 CA GLU A 84 3.351 12.178 -7.984 1.00 0.00 C ATOM 1227 C GLU A 84 2.707 10.802 -7.832 1.00 0.00 C ATOM 1228 O GLU A 84 1.512 10.692 -7.556 1.00 0.00 O ATOM 1229 CB GLU A 84 4.483 12.338 -6.968 1.00 0.00 C ATOM 1230 CG GLU A 84 5.265 13.631 -7.127 1.00 0.00 C ATOM 1231 CD GLU A 84 6.126 13.642 -8.375 1.00 0.00 C ATOM 1232 OE1 GLU A 84 5.595 13.956 -9.460 1.00 0.00 O ATOM 1233 OE2 GLU A 84 7.332 13.336 -8.265 1.00 0.00 O ATOM 0 H GLU A 84 1.744 13.111 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 84 3.762 12.259 -8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.065 12.297 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.167 11.495 -7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.570 14.470 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.898 13.778 -6.252 1.00 0.00 H new ATOM 1240 N ARG A 85 3.507 9.757 -8.014 1.00 0.00 N ATOM 1241 CA ARG A 85 3.016 8.390 -7.899 1.00 0.00 C ATOM 1242 C ARG A 85 4.162 7.389 -8.013 1.00 0.00 C ATOM 1243 O ARG A 85 5.152 7.637 -8.702 1.00 0.00 O ATOM 1244 CB ARG A 85 1.969 8.108 -8.979 1.00 0.00 C ATOM 1245 CG ARG A 85 2.541 8.071 -10.386 1.00 0.00 C ATOM 1246 CD ARG A 85 1.479 7.702 -11.410 1.00 0.00 C ATOM 1247 NE ARG A 85 0.794 8.879 -11.937 1.00 0.00 N ATOM 1248 CZ ARG A 85 0.173 8.904 -13.111 1.00 0.00 C ATOM 1249 NH1 ARG A 85 0.150 7.821 -13.876 1.00 0.00 N ATOM 1250 NH2 ARG A 85 -0.428 10.014 -13.521 1.00 0.00 N ATOM 0 H ARG A 85 4.498 9.831 -8.242 1.00 0.00 H new ATOM 0 HA ARG A 85 2.555 8.278 -6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.488 7.153 -8.766 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.194 8.873 -8.931 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.964 9.045 -10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.356 7.349 -10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.942 7.154 -12.231 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.750 7.034 -10.952 1.00 0.00 H new ATOM 0 HE ARG A 85 0.792 9.729 -11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.610 6.966 -13.563 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.328 7.843 -14.777 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.413 10.848 -12.935 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.905 10.033 -14.423 1.00 0.00 H new ATOM 1264 N THR A 86 4.021 6.255 -7.333 1.00 0.00 N ATOM 1265 CA THR A 86 5.044 5.218 -7.356 1.00 0.00 C ATOM 1266 C THR A 86 4.444 3.861 -7.704 1.00 0.00 C ATOM 1267 O THR A 86 3.233 3.662 -7.602 1.00 0.00 O ATOM 1268 CB THR A 86 5.769 5.113 -6.001 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.652 3.985 -6.003 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.770 4.978 -4.862 1.00 0.00 C ATOM 0 H THR A 86 3.208 6.032 -6.759 1.00 0.00 H new ATOM 0 HA THR A 86 5.764 5.502 -8.124 1.00 0.00 H new ATOM 0 HB THR A 86 6.346 6.026 -5.852 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.110 3.927 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.305 4.905 -3.915 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.118 5.851 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.170 4.080 -5.009 1.00 0.00 H new ATOM 1278 N SER A 87 5.297 2.929 -8.116 1.00 0.00 N ATOM 1279 CA SER A 87 4.849 1.590 -8.483 1.00 0.00 C ATOM 1280 C SER A 87 5.718 0.526 -7.819 1.00 0.00 C ATOM 1281 O SER A 87 6.896 0.753 -7.545 1.00 0.00 O ATOM 1282 CB SER A 87 4.883 1.417 -10.003 1.00 0.00 C ATOM 1283 OG SER A 87 6.181 1.661 -10.515 1.00 0.00 O ATOM 0 H SER A 87 6.302 3.076 -8.204 1.00 0.00 H new ATOM 0 HA SER A 87 3.824 1.467 -8.133 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.570 0.406 -10.264 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.172 2.101 -10.466 1.00 0.00 H new ATOM 0 HG SER A 87 6.177 1.542 -11.488 1.00 0.00 H new ATOM 1289 N ALA A 88 5.127 -0.636 -7.564 1.00 0.00 N ATOM 1290 CA ALA A 88 5.846 -1.737 -6.934 1.00 0.00 C ATOM 1291 C ALA A 88 5.411 -3.079 -7.513 1.00 0.00 C ATOM 1292 O ALA A 88 4.417 -3.163 -8.235 1.00 0.00 O ATOM 1293 CB ALA A 88 5.631 -1.715 -5.428 1.00 0.00 C ATOM 0 H ALA A 88 4.152 -0.840 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 88 6.909 -1.609 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.174 -2.543 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.998 -0.772 -5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.567 -1.814 -5.211 1.00 0.00 H new ATOM 1299 N THR A 89 6.161 -4.128 -7.191 1.00 0.00 N ATOM 1300 CA THR A 89 5.854 -5.466 -7.681 1.00 0.00 C ATOM 1301 C THR A 89 5.727 -6.457 -6.529 1.00 0.00 C ATOM 1302 O THR A 89 6.681 -6.683 -5.783 1.00 0.00 O ATOM 1303 CB THR A 89 6.933 -5.968 -8.658 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.037 -5.076 -9.773 1.00 0.00 O ATOM 1305 CG2 THR A 89 6.606 -7.369 -9.152 1.00 0.00 C ATOM 0 H THR A 89 6.986 -4.077 -6.593 1.00 0.00 H new ATOM 0 HA THR A 89 4.902 -5.399 -8.207 1.00 0.00 H new ATOM 0 HB THR A 89 7.885 -6.000 -8.128 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.726 -5.401 -10.389 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.382 -7.702 -9.841 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.556 -8.052 -8.304 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.645 -7.358 -9.666 1.00 0.00 H new ATOM 1313 N LEU A 90 4.545 -7.047 -6.390 1.00 0.00 N ATOM 1314 CA LEU A 90 4.293 -8.015 -5.328 1.00 0.00 C ATOM 1315 C LEU A 90 4.518 -9.439 -5.826 1.00 0.00 C ATOM 1316 O LEU A 90 4.333 -9.732 -7.008 1.00 0.00 O ATOM 1317 CB LEU A 90 2.865 -7.866 -4.802 1.00 0.00 C ATOM 1318 CG LEU A 90 2.394 -8.942 -3.823 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.075 -8.771 -2.474 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.881 -8.897 -3.669 1.00 0.00 C ATOM 0 H LEU A 90 3.746 -6.872 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 90 4.994 -7.818 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.779 -6.896 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.185 -7.855 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 90 2.669 -9.917 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.728 -9.545 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.155 -8.854 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.832 -7.790 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.563 -9.670 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.583 -7.919 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.411 -9.070 -4.637 1.00 0.00 H new ATOM 1332 N THR A 91 4.916 -10.323 -4.917 1.00 0.00 N ATOM 1333 CA THR A 91 5.165 -11.717 -5.263 1.00 0.00 C ATOM 1334 C THR A 91 4.342 -12.656 -4.388 1.00 0.00 C ATOM 1335 O THR A 91 4.218 -12.446 -3.181 1.00 0.00 O ATOM 1336 CB THR A 91 6.656 -12.074 -5.119 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.420 -11.403 -6.127 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.866 -13.577 -5.232 1.00 0.00 C ATOM 0 H THR A 91 5.073 -10.098 -3.935 1.00 0.00 H new ATOM 0 HA THR A 91 4.868 -11.842 -6.304 1.00 0.00 H new ATOM 0 HB THR A 91 6.991 -11.750 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.367 -11.634 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.927 -13.805 -5.127 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.307 -14.083 -4.445 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.515 -13.921 -6.205 1.00 0.00 H new ATOM 1346 N ILE A 92 3.782 -13.692 -5.004 1.00 0.00 N ATOM 1347 CA ILE A 92 2.973 -14.664 -4.279 1.00 0.00 C ATOM 1348 C ILE A 92 3.654 -16.028 -4.242 1.00 0.00 C ATOM 1349 O ILE A 92 4.321 -16.426 -5.197 1.00 0.00 O ATOM 1350 CB ILE A 92 1.577 -14.817 -4.912 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.901 -13.451 -5.047 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.719 -15.759 -4.081 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.432 -12.877 -3.728 1.00 0.00 C ATOM 0 H ILE A 92 3.874 -13.880 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 92 2.863 -14.288 -3.262 1.00 0.00 H new ATOM 0 HB ILE A 92 1.691 -15.244 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.599 -12.753 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.047 -13.542 -5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.264 -15.857 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.196 -16.738 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.610 -15.358 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.037 -11.908 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.290 -13.555 -3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.285 -12.754 -3.061 1.00 0.00 H new ATOM 1365 N ARG A 93 3.481 -16.739 -3.133 1.00 0.00 N ATOM 1366 CA ARG A 93 4.078 -18.059 -2.970 1.00 0.00 C ATOM 1367 C ARG A 93 3.001 -19.127 -2.804 1.00 0.00 C ATOM 1368 O ARG A 93 2.297 -19.160 -1.796 1.00 0.00 O ATOM 1369 CB ARG A 93 5.016 -18.073 -1.762 1.00 0.00 C ATOM 1370 CG ARG A 93 6.446 -17.681 -2.096 1.00 0.00 C ATOM 1371 CD ARG A 93 7.272 -18.889 -2.512 1.00 0.00 C ATOM 1372 NE ARG A 93 7.920 -19.528 -1.370 1.00 0.00 N ATOM 1373 CZ ARG A 93 9.085 -19.130 -0.869 1.00 0.00 C ATOM 1374 NH1 ARG A 93 9.724 -18.101 -1.406 1.00 0.00 N ATOM 1375 NH2 ARG A 93 9.611 -19.763 0.172 1.00 0.00 N ATOM 0 H ARG A 93 2.932 -16.423 -2.334 1.00 0.00 H new ATOM 0 HA ARG A 93 4.652 -18.283 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.629 -17.391 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.015 -19.071 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.444 -16.945 -2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.906 -17.205 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.630 -19.612 -3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.029 -18.580 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 93 7.453 -20.323 -0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.322 -17.612 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.618 -17.798 -1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.121 -20.555 0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.505 -19.457 0.556 1.00 0.00 H new ATOM 1389 N ALA A 94 2.880 -19.998 -3.801 1.00 0.00 N ATOM 1390 CA ALA A 94 1.890 -21.067 -3.764 1.00 0.00 C ATOM 1391 C ALA A 94 1.770 -21.656 -2.363 1.00 0.00 C ATOM 1392 O ALA A 94 2.770 -22.021 -1.743 1.00 0.00 O ATOM 1393 CB ALA A 94 2.250 -22.154 -4.766 1.00 0.00 C ATOM 0 H ALA A 94 3.455 -19.984 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 94 0.923 -20.643 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.502 -22.946 -4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.278 -21.729 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.228 -22.566 -4.520 1.00 0.00 H new ATOM 1399 N LEU A 95 0.540 -21.746 -1.867 1.00 0.00 N ATOM 1400 CA LEU A 95 0.289 -22.290 -0.538 1.00 0.00 C ATOM 1401 C LEU A 95 0.075 -23.799 -0.598 1.00 0.00 C ATOM 1402 O LEU A 95 -0.384 -24.346 -1.602 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.933 -21.615 0.089 1.00 0.00 C ATOM 1404 CG LEU A 95 -2.252 -21.781 -0.666 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.775 -23.201 -0.521 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -3.281 -20.778 -0.167 1.00 0.00 C ATOM 0 H LEU A 95 -0.299 -21.449 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 95 1.164 -22.090 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.063 -22.008 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.725 -20.550 0.186 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.070 -21.589 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.714 -23.300 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.045 -23.901 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.941 -23.422 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.214 -20.910 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.459 -20.938 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.908 -19.766 -0.324 1.00 0.00 H new