USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 98 SER OG : rot 86:sc= 1.22 USER MOD Set 1.2: C 150 TYR OH : rot 90:sc= 0.987 USER MOD Set 2.1: C 120 MET CE :methyl -156:sc= -0.141 (180deg=-0.359) USER MOD Set 2.2: C 124 THR OG1 : rot 105:sc= 1.21 USER MOD Single : C 103 MET CE :methyl 167:sc= -1.16 (180deg=-1.57) USER MOD Single : C 106 LYS NZ :NH3+ 163:sc= 1.87 (180deg=1.49) USER MOD Single : C 107 ASN : amide:sc= 0.708 K(o=0.71,f=0) USER MOD Single : C 111 TYR OH : rot 180:sc= 0 USER MOD Single : C 118 LYS NZ :NH3+ 176:sc= 1.12 (180deg=0.924) USER MOD Single : C 122 GLN : amide:sc= -0.672 K(o=-0.67,f=-3.9!) USER MOD Single : C 127 THR OG1 : rot 180:sc= 0.0957 USER MOD Single : C 129 THR OG1 : rot 180:sc= 0 USER MOD Single : C 137 MET CE :methyl -161:sc= -2.25 (180deg=-3.21) USER MOD Single : C 138 LYS NZ :NH3+ -151:sc= 2.24 (180deg=1.55) USER MOD Single : C 142 LYS NZ :NH3+ 161:sc= 2.29 (180deg=-0.0723!) USER MOD Single : C 143 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.89) USER MOD Single : C 144 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.022) USER MOD Single : C 157 MET CE :methyl -120:sc= -3.26! (180deg=-7.78!) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 11.788 -3.503 -7.506 1.00 0.00 N ATOM 61 CA GLU C 94 11.331 -3.579 -8.938 1.00 0.00 C ATOM 62 C GLU C 94 10.565 -2.283 -9.288 1.00 0.00 C ATOM 63 O GLU C 94 10.672 -1.763 -10.389 1.00 0.00 O ATOM 64 CB GLU C 94 10.372 -4.794 -9.017 1.00 0.00 C ATOM 65 CG GLU C 94 11.009 -6.089 -8.418 1.00 0.00 C ATOM 66 CD GLU C 94 12.492 -6.212 -8.740 1.00 0.00 C ATOM 67 OE1 GLU C 94 12.851 -6.196 -9.891 1.00 0.00 O ATOM 68 OE2 GLU C 94 13.267 -6.320 -7.807 1.00 0.00 O1- ATOM 0 HA GLU C 94 12.165 -3.687 -9.631 1.00 0.00 H new ATOM 0 HB2 GLU C 94 9.451 -4.563 -8.482 1.00 0.00 H new ATOM 0 HB3 GLU C 94 10.100 -4.973 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU C 94 10.874 -6.090 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU C 94 10.483 -6.961 -8.805 1.00 0.00 H new ATOM 75 N GLU C 95 9.808 -1.752 -8.343 1.00 0.00 N ATOM 76 CA GLU C 95 9.041 -0.474 -8.593 1.00 0.00 C ATOM 77 C GLU C 95 10.029 0.664 -8.898 1.00 0.00 C ATOM 78 O GLU C 95 9.806 1.465 -9.798 1.00 0.00 O ATOM 79 CB GLU C 95 8.342 -0.184 -7.248 1.00 0.00 C ATOM 80 CG GLU C 95 7.313 -1.295 -6.909 1.00 0.00 C ATOM 81 CD GLU C 95 6.635 -1.002 -5.575 1.00 0.00 C ATOM 82 OE1 GLU C 95 7.231 -0.332 -4.747 1.00 0.00 O1- ATOM 83 OE2 GLU C 95 5.548 -1.459 -5.386 1.00 0.00 O ATOM 0 H GLU C 95 9.688 -2.148 -7.411 1.00 0.00 H new ATOM 0 HA GLU C 95 8.346 -0.556 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU C 95 9.086 -0.117 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU C 95 7.838 0.782 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU C 95 6.564 -1.359 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU C 95 7.814 -2.262 -6.865 1.00 0.00 H new ATOM 90 N GLU C 96 11.128 0.717 -8.175 1.00 0.00 N ATOM 91 CA GLU C 96 12.133 1.815 -8.393 1.00 0.00 C ATOM 92 C GLU C 96 12.676 1.723 -9.828 1.00 0.00 C ATOM 93 O GLU C 96 12.857 2.728 -10.497 1.00 0.00 O ATOM 94 CB GLU C 96 13.270 1.555 -7.378 1.00 0.00 C ATOM 95 CG GLU C 96 12.723 1.459 -5.917 1.00 0.00 C ATOM 96 CD GLU C 96 11.742 2.576 -5.613 1.00 0.00 C ATOM 97 OE1 GLU C 96 12.064 3.712 -5.840 1.00 0.00 O1- ATOM 98 OE2 GLU C 96 10.676 2.270 -5.164 1.00 0.00 O ATOM 0 H GLU C 96 11.372 0.049 -7.444 1.00 0.00 H new ATOM 0 HA GLU C 96 11.698 2.805 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU C 96 13.785 0.630 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU C 96 14.005 2.357 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU C 96 12.234 0.495 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU C 96 13.554 1.502 -5.213 1.00 0.00 H new ATOM 105 N LEU C 97 12.870 0.514 -10.335 1.00 0.00 N ATOM 106 CA LEU C 97 13.340 0.363 -11.752 1.00 0.00 C ATOM 107 C LEU C 97 12.378 1.066 -12.701 1.00 0.00 C ATOM 108 O LEU C 97 12.799 1.693 -13.656 1.00 0.00 O ATOM 109 CB LEU C 97 13.316 -1.142 -12.048 1.00 0.00 C ATOM 110 CG LEU C 97 13.588 -1.373 -13.552 1.00 0.00 C ATOM 111 CD1 LEU C 97 14.687 -2.385 -13.719 1.00 0.00 C ATOM 112 CD2 LEU C 97 12.314 -1.896 -14.230 1.00 0.00 C ATOM 0 H LEU C 97 12.723 -0.360 -9.830 1.00 0.00 H new ATOM 0 HA LEU C 97 14.332 0.796 -11.885 1.00 0.00 H new ATOM 0 HB2 LEU C 97 14.068 -1.654 -11.448 1.00 0.00 H new ATOM 0 HB3 LEU C 97 12.349 -1.563 -11.773 1.00 0.00 H new ATOM 0 HG LEU C 97 13.888 -0.430 -14.010 1.00 0.00 H new ATOM 0 HD11 LEU C 97 14.876 -2.545 -14.780 1.00 0.00 H new ATOM 0 HD12 LEU C 97 15.595 -2.018 -13.240 1.00 0.00 H new ATOM 0 HD13 LEU C 97 14.388 -3.326 -13.258 1.00 0.00 H new ATOM 0 HD21 LEU C 97 12.507 -2.059 -15.290 1.00 0.00 H new ATOM 0 HD22 LEU C 97 12.015 -2.837 -13.767 1.00 0.00 H new ATOM 0 HD23 LEU C 97 11.514 -1.165 -14.115 1.00 0.00 H new ATOM 124 N SER C 98 11.101 0.934 -12.477 1.00 0.00 N ATOM 125 CA SER C 98 10.122 1.564 -13.397 1.00 0.00 C ATOM 126 C SER C 98 10.356 3.085 -13.427 1.00 0.00 C ATOM 127 O SER C 98 10.379 3.690 -14.506 1.00 0.00 O ATOM 128 CB SER C 98 8.752 1.225 -12.813 1.00 0.00 C ATOM 129 OG SER C 98 7.791 1.156 -13.866 1.00 0.00 O ATOM 0 H SER C 98 10.696 0.417 -11.697 1.00 0.00 H new ATOM 0 HA SER C 98 10.211 1.207 -14.423 1.00 0.00 H new ATOM 0 HB2 SER C 98 8.796 0.274 -12.283 1.00 0.00 H new ATOM 0 HB3 SER C 98 8.457 1.982 -12.086 1.00 0.00 H new ATOM 0 HG SER C 98 7.791 0.254 -14.250 1.00 0.00 H new ATOM 135 N ASP C 99 10.592 3.714 -12.278 1.00 0.00 N ATOM 136 CA ASP C 99 10.903 5.183 -12.309 1.00 0.00 C ATOM 137 C ASP C 99 12.244 5.391 -13.019 1.00 0.00 C ATOM 138 O ASP C 99 12.376 6.260 -13.886 1.00 0.00 O ATOM 139 CB ASP C 99 11.013 5.650 -10.853 1.00 0.00 C ATOM 140 CG ASP C 99 10.778 7.150 -10.805 1.00 0.00 C ATOM 141 OD1 ASP C 99 11.656 7.890 -11.175 1.00 0.00 O ATOM 142 OD2 ASP C 99 9.707 7.542 -10.411 1.00 0.00 O1- ATOM 0 H ASP C 99 10.581 3.282 -11.354 1.00 0.00 H new ATOM 0 HA ASP C 99 10.132 5.743 -12.837 1.00 0.00 H new ATOM 0 HB2 ASP C 99 10.280 5.133 -10.234 1.00 0.00 H new ATOM 0 HB3 ASP C 99 11.997 5.408 -10.452 1.00 0.00 H new ATOM 147 N LEU C 100 13.234 4.581 -12.678 1.00 0.00 N ATOM 148 CA LEU C 100 14.598 4.712 -13.311 1.00 0.00 C ATOM 149 C LEU C 100 14.551 4.443 -14.820 1.00 0.00 C ATOM 150 O LEU C 100 15.204 5.126 -15.588 1.00 0.00 O ATOM 151 CB LEU C 100 15.495 3.664 -12.615 1.00 0.00 C ATOM 152 CG LEU C 100 15.623 3.962 -11.101 1.00 0.00 C ATOM 153 CD1 LEU C 100 16.462 2.878 -10.436 1.00 0.00 C ATOM 154 CD2 LEU C 100 16.317 5.314 -10.889 1.00 0.00 C ATOM 0 H LEU C 100 13.154 3.835 -11.987 1.00 0.00 H new ATOM 0 HA LEU C 100 14.979 5.726 -13.188 1.00 0.00 H new ATOM 0 HB2 LEU C 100 15.076 2.668 -12.759 1.00 0.00 H new ATOM 0 HB3 LEU C 100 16.484 3.664 -13.074 1.00 0.00 H new ATOM 0 HG LEU C 100 14.625 3.987 -10.664 1.00 0.00 H new ATOM 0 HD11 LEU C 100 16.551 3.089 -9.370 1.00 0.00 H new ATOM 0 HD12 LEU C 100 15.982 1.910 -10.575 1.00 0.00 H new ATOM 0 HD13 LEU C 100 17.454 2.859 -10.886 1.00 0.00 H new ATOM 0 HD21 LEU C 100 16.403 5.515 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU C 100 17.312 5.286 -11.334 1.00 0.00 H new ATOM 0 HD23 LEU C 100 15.730 6.102 -11.361 1.00 0.00 H new ATOM 166 N PHE C 101 13.796 3.461 -15.256 1.00 0.00 N ATOM 167 CA PHE C 101 13.739 3.135 -16.735 1.00 0.00 C ATOM 168 C PHE C 101 13.339 4.382 -17.524 1.00 0.00 C ATOM 169 O PHE C 101 13.964 4.711 -18.510 1.00 0.00 O ATOM 170 CB PHE C 101 12.660 2.042 -16.867 1.00 0.00 C ATOM 171 CG PHE C 101 12.654 1.501 -18.282 1.00 0.00 C ATOM 172 CD1 PHE C 101 13.556 0.500 -18.641 1.00 0.00 C ATOM 173 CD2 PHE C 101 11.748 1.995 -19.224 1.00 0.00 C ATOM 174 CE1 PHE C 101 13.561 -0.009 -19.938 1.00 0.00 C ATOM 175 CE2 PHE C 101 11.754 1.483 -20.525 1.00 0.00 C ATOM 176 CZ PHE C 101 12.661 0.479 -20.881 1.00 0.00 C ATOM 0 H PHE C 101 13.216 2.869 -14.662 1.00 0.00 H new ATOM 0 HA PHE C 101 14.700 2.800 -17.124 1.00 0.00 H new ATOM 0 HB2 PHE C 101 12.856 1.236 -16.160 1.00 0.00 H new ATOM 0 HB3 PHE C 101 11.681 2.452 -16.620 1.00 0.00 H new ATOM 0 HD1 PHE C 101 14.254 0.118 -17.911 1.00 0.00 H new ATOM 0 HD2 PHE C 101 11.046 2.769 -18.949 1.00 0.00 H new ATOM 0 HE1 PHE C 101 14.263 -0.782 -20.212 1.00 0.00 H new ATOM 0 HE2 PHE C 101 11.057 1.863 -21.257 1.00 0.00 H new ATOM 0 HZ PHE C 101 12.663 0.083 -21.886 1.00 0.00 H new ATOM 186 N ARG C 102 12.352 5.121 -17.049 1.00 0.00 N ATOM 187 CA ARG C 102 11.957 6.402 -17.743 1.00 0.00 C ATOM 188 C ARG C 102 13.156 7.375 -17.786 1.00 0.00 C ATOM 189 O ARG C 102 13.395 8.021 -18.781 1.00 0.00 O ATOM 190 CB ARG C 102 10.831 6.992 -16.895 1.00 0.00 C ATOM 191 CG ARG C 102 9.575 6.107 -16.996 1.00 0.00 C ATOM 192 CD ARG C 102 8.435 6.724 -16.166 1.00 0.00 C ATOM 193 NE ARG C 102 8.902 6.620 -14.741 1.00 0.00 N ATOM 194 CZ ARG C 102 9.150 7.703 -14.026 1.00 0.00 C ATOM 195 NH1 ARG C 102 8.154 8.476 -13.663 1.00 0.00 N ATOM 196 NH2 ARG C 102 10.386 7.993 -13.687 1.00 0.00 N1+ ATOM 0 H ARG C 102 11.807 4.895 -16.217 1.00 0.00 H new ATOM 0 HA ARG C 102 11.643 6.227 -18.772 1.00 0.00 H new ATOM 0 HB2 ARG C 102 11.149 7.068 -15.855 1.00 0.00 H new ATOM 0 HB3 ARG C 102 10.602 8.003 -17.233 1.00 0.00 H new ATOM 0 HG2 ARG C 102 9.269 6.012 -18.038 1.00 0.00 H new ATOM 0 HG3 ARG C 102 9.797 5.102 -16.636 1.00 0.00 H new ATOM 0 HD2 ARG C 102 8.255 7.761 -16.449 1.00 0.00 H new ATOM 0 HD3 ARG C 102 7.499 6.186 -16.316 1.00 0.00 H new ATOM 0 HE ARG C 102 9.029 5.700 -14.320 1.00 0.00 H new ATOM 0 HH11 ARG C 102 7.199 8.238 -13.933 1.00 0.00 H new ATOM 0 HH12 ARG C 102 8.334 9.315 -13.111 1.00 0.00 H new ATOM 0 HH21 ARG C 102 11.151 7.383 -13.976 1.00 0.00 H new ATOM 0 HH22 ARG C 102 10.581 8.828 -13.135 1.00 0.00 H new ATOM 210 N MET C 103 13.947 7.444 -16.723 1.00 0.00 N ATOM 211 CA MET C 103 15.177 8.319 -16.761 1.00 0.00 C ATOM 212 C MET C 103 16.176 7.729 -17.791 1.00 0.00 C ATOM 213 O MET C 103 16.896 8.461 -18.487 1.00 0.00 O ATOM 214 CB MET C 103 15.721 8.359 -15.287 1.00 0.00 C ATOM 215 CG MET C 103 17.032 7.570 -15.112 1.00 0.00 C ATOM 216 SD MET C 103 18.441 8.651 -15.469 1.00 0.00 S ATOM 217 CE MET C 103 19.557 7.381 -16.119 1.00 0.00 C ATOM 0 H MET C 103 13.796 6.941 -15.848 1.00 0.00 H new ATOM 0 HA MET C 103 14.985 9.341 -17.088 1.00 0.00 H new ATOM 0 HB2 MET C 103 15.885 9.396 -14.993 1.00 0.00 H new ATOM 0 HB3 MET C 103 14.965 7.953 -14.615 1.00 0.00 H new ATOM 0 HG2 MET C 103 17.104 7.185 -14.095 1.00 0.00 H new ATOM 0 HG3 MET C 103 17.042 6.709 -15.780 1.00 0.00 H new ATOM 0 HE1 MET C 103 20.403 7.858 -16.614 1.00 0.00 H new ATOM 0 HE2 MET C 103 19.919 6.761 -15.299 1.00 0.00 H new ATOM 0 HE3 MET C 103 19.022 6.758 -16.836 1.00 0.00 H new ATOM 227 N PHE C 104 16.216 6.415 -17.912 1.00 0.00 N ATOM 228 CA PHE C 104 17.098 5.774 -18.931 1.00 0.00 C ATOM 229 C PHE C 104 16.556 6.046 -20.337 1.00 0.00 C ATOM 230 O PHE C 104 17.292 6.533 -21.198 1.00 0.00 O ATOM 231 CB PHE C 104 17.085 4.268 -18.626 1.00 0.00 C ATOM 232 CG PHE C 104 18.214 3.935 -17.685 1.00 0.00 C ATOM 233 CD1 PHE C 104 18.074 4.132 -16.306 1.00 0.00 C ATOM 234 CD2 PHE C 104 19.412 3.439 -18.200 1.00 0.00 C ATOM 235 CE1 PHE C 104 19.132 3.826 -15.447 1.00 0.00 C ATOM 236 CE2 PHE C 104 20.468 3.137 -17.343 1.00 0.00 C ATOM 237 CZ PHE C 104 20.332 3.330 -15.966 1.00 0.00 C ATOM 0 H PHE C 104 15.672 5.765 -17.344 1.00 0.00 H new ATOM 0 HA PHE C 104 18.112 6.171 -18.892 1.00 0.00 H new ATOM 0 HB2 PHE C 104 16.131 3.985 -18.181 1.00 0.00 H new ATOM 0 HB3 PHE C 104 17.187 3.698 -19.550 1.00 0.00 H new ATOM 0 HD1 PHE C 104 17.149 4.520 -15.907 1.00 0.00 H new ATOM 0 HD2 PHE C 104 19.521 3.289 -19.264 1.00 0.00 H new ATOM 0 HE1 PHE C 104 19.023 3.972 -14.383 1.00 0.00 H new ATOM 0 HE2 PHE C 104 21.394 2.753 -17.744 1.00 0.00 H new ATOM 0 HZ PHE C 104 21.152 3.096 -15.303 1.00 0.00 H new ATOM 247 N ASP C 105 15.284 5.796 -20.575 1.00 0.00 N ATOM 248 CA ASP C 105 14.710 6.040 -21.946 1.00 0.00 C ATOM 249 C ASP C 105 14.443 7.538 -22.150 1.00 0.00 C ATOM 250 O ASP C 105 13.450 8.077 -21.703 1.00 0.00 O ATOM 251 CB ASP C 105 13.391 5.246 -21.966 1.00 0.00 C ATOM 252 CG ASP C 105 12.777 5.307 -23.339 1.00 0.00 C ATOM 253 OD1 ASP C 105 13.441 4.954 -24.281 1.00 0.00 O ATOM 254 OD2 ASP C 105 11.654 5.691 -23.438 1.00 0.00 O1- ATOM 0 H ASP C 105 14.623 5.437 -19.886 1.00 0.00 H new ATOM 0 HA ASP C 105 15.387 5.730 -22.742 1.00 0.00 H new ATOM 0 HB2 ASP C 105 13.577 4.209 -21.687 1.00 0.00 H new ATOM 0 HB3 ASP C 105 12.699 5.655 -21.230 1.00 0.00 H new ATOM 259 N LYS C 106 15.336 8.206 -22.823 1.00 0.00 N ATOM 260 CA LYS C 106 15.185 9.697 -23.077 1.00 0.00 C ATOM 261 C LYS C 106 14.021 9.982 -24.030 1.00 0.00 C ATOM 262 O LYS C 106 13.407 11.036 -23.969 1.00 0.00 O ATOM 263 CB LYS C 106 16.480 10.140 -23.798 1.00 0.00 C ATOM 264 CG LYS C 106 17.724 9.705 -23.029 1.00 0.00 C ATOM 265 CD LYS C 106 17.769 10.357 -21.644 1.00 0.00 C ATOM 266 CE LYS C 106 19.017 9.862 -20.904 1.00 0.00 C ATOM 267 NZ LYS C 106 18.645 8.521 -20.353 1.00 0.00 N1+ ATOM 0 H LYS C 106 16.180 7.792 -23.219 1.00 0.00 H new ATOM 0 HA LYS C 106 15.005 10.216 -22.136 1.00 0.00 H new ATOM 0 HB2 LYS C 106 16.503 9.714 -24.801 1.00 0.00 H new ATOM 0 HB3 LYS C 106 16.482 11.224 -23.912 1.00 0.00 H new ATOM 0 HG2 LYS C 106 17.730 8.620 -22.924 1.00 0.00 H new ATOM 0 HG3 LYS C 106 18.617 9.976 -23.592 1.00 0.00 H new ATOM 0 HD2 LYS C 106 17.792 11.443 -21.739 1.00 0.00 H new ATOM 0 HD3 LYS C 106 16.871 10.106 -21.079 1.00 0.00 H new ATOM 0 HE2 LYS C 106 19.870 9.787 -21.578 1.00 0.00 H new ATOM 0 HE3 LYS C 106 19.300 10.550 -20.107 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 19.507 8.002 -20.091 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 18.047 8.645 -19.511 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 18.122 7.983 -21.073 1.00 0.00 H new ATOM 281 N ASN C 107 13.855 9.149 -25.028 1.00 0.00 N ATOM 282 CA ASN C 107 12.888 9.487 -26.125 1.00 0.00 C ATOM 283 C ASN C 107 11.460 9.039 -25.827 1.00 0.00 C ATOM 284 O ASN C 107 10.609 9.130 -26.695 1.00 0.00 O ATOM 285 CB ASN C 107 13.406 8.778 -27.385 1.00 0.00 C ATOM 286 CG ASN C 107 14.765 9.339 -27.778 1.00 0.00 C ATOM 287 OD1 ASN C 107 14.849 10.419 -28.314 1.00 0.00 O ATOM 288 ND2 ASN C 107 15.840 8.663 -27.512 1.00 0.00 N ATOM 0 H ASN C 107 14.340 8.258 -25.133 1.00 0.00 H new ATOM 0 HA ASN C 107 12.837 10.570 -26.242 1.00 0.00 H new ATOM 0 HB2 ASN C 107 13.485 7.706 -27.202 1.00 0.00 H new ATOM 0 HB3 ASN C 107 12.698 8.911 -28.203 1.00 0.00 H new ATOM 0 HD21 ASN C 107 16.755 9.043 -27.755 1.00 0.00 H new ATOM 0 HD22 ASN C 107 15.770 7.751 -27.060 1.00 0.00 H new ATOM 295 N ALA C 108 11.186 8.503 -24.645 1.00 0.00 N ATOM 296 CA ALA C 108 9.802 7.970 -24.316 1.00 0.00 C ATOM 297 C ALA C 108 9.390 6.845 -25.305 1.00 0.00 C ATOM 298 O ALA C 108 8.240 6.446 -25.339 1.00 0.00 O ATOM 299 CB ALA C 108 8.835 9.169 -24.405 1.00 0.00 C ATOM 0 H ALA C 108 11.865 8.411 -23.889 1.00 0.00 H new ATOM 0 HA ALA C 108 9.781 7.528 -23.320 1.00 0.00 H new ATOM 0 HB1 ALA C 108 7.822 8.837 -24.176 1.00 0.00 H new ATOM 0 HB2 ALA C 108 9.137 9.934 -23.689 1.00 0.00 H new ATOM 0 HB3 ALA C 108 8.862 9.584 -25.413 1.00 0.00 H new ATOM 305 N ASP C 109 10.337 6.279 -26.048 1.00 0.00 N ATOM 306 CA ASP C 109 10.022 5.113 -26.958 1.00 0.00 C ATOM 307 C ASP C 109 9.713 3.851 -26.130 1.00 0.00 C ATOM 308 O ASP C 109 8.980 2.977 -26.573 1.00 0.00 O ATOM 309 CB ASP C 109 11.249 4.911 -27.907 1.00 0.00 C ATOM 310 CG ASP C 109 12.529 4.675 -27.140 1.00 0.00 C ATOM 311 OD1 ASP C 109 12.799 3.616 -26.767 1.00 0.00 O ATOM 312 OD2 ASP C 109 13.238 5.581 -26.924 1.00 0.00 O1- ATOM 0 H ASP C 109 11.312 6.578 -26.060 1.00 0.00 H new ATOM 0 HA ASP C 109 9.133 5.312 -27.556 1.00 0.00 H new ATOM 0 HB2 ASP C 109 11.061 4.064 -28.566 1.00 0.00 H new ATOM 0 HB3 ASP C 109 11.364 5.790 -28.542 1.00 0.00 H new ATOM 317 N GLY C 110 10.234 3.760 -24.927 1.00 0.00 N ATOM 318 CA GLY C 110 9.960 2.572 -24.051 1.00 0.00 C ATOM 319 C GLY C 110 11.103 1.545 -24.151 1.00 0.00 C ATOM 320 O GLY C 110 11.059 0.506 -23.512 1.00 0.00 O ATOM 0 H GLY C 110 10.843 4.464 -24.511 1.00 0.00 H new ATOM 0 HA2 GLY C 110 9.845 2.896 -23.017 1.00 0.00 H new ATOM 0 HA3 GLY C 110 9.020 2.106 -24.345 1.00 0.00 H new ATOM 324 N TYR C 111 12.110 1.811 -24.939 1.00 0.00 N ATOM 325 CA TYR C 111 13.268 0.881 -25.084 1.00 0.00 C ATOM 326 C TYR C 111 14.538 1.645 -24.723 1.00 0.00 C ATOM 327 O TYR C 111 14.685 2.839 -25.082 1.00 0.00 O ATOM 328 CB TYR C 111 13.299 0.517 -26.577 1.00 0.00 C ATOM 329 CG TYR C 111 12.012 -0.176 -26.983 1.00 0.00 C ATOM 330 CD1 TYR C 111 11.809 -1.525 -26.675 1.00 0.00 C ATOM 331 CD2 TYR C 111 11.024 0.537 -27.671 1.00 0.00 C ATOM 332 CE1 TYR C 111 10.623 -2.152 -27.055 1.00 0.00 C ATOM 333 CE2 TYR C 111 9.840 -0.095 -28.052 1.00 0.00 C ATOM 334 CZ TYR C 111 9.639 -1.439 -27.744 1.00 0.00 C ATOM 335 OH TYR C 111 8.467 -2.068 -28.124 1.00 0.00 O ATOM 0 H TYR C 111 12.180 2.658 -25.504 1.00 0.00 H new ATOM 0 HA TYR C 111 13.192 -0.002 -24.450 1.00 0.00 H new ATOM 0 HB2 TYR C 111 13.437 1.418 -27.174 1.00 0.00 H new ATOM 0 HB3 TYR C 111 14.149 -0.134 -26.781 1.00 0.00 H new ATOM 0 HD1 TYR C 111 12.569 -2.080 -26.144 1.00 0.00 H new ATOM 0 HD2 TYR C 111 11.178 1.579 -27.908 1.00 0.00 H new ATOM 0 HE1 TYR C 111 10.464 -3.193 -26.816 1.00 0.00 H new ATOM 0 HE2 TYR C 111 9.080 0.457 -28.585 1.00 0.00 H new ATOM 0 HH TYR C 111 7.890 -1.429 -28.593 1.00 0.00 H new ATOM 345 N ILE C 112 15.493 1.001 -24.104 1.00 0.00 N ATOM 346 CA ILE C 112 16.757 1.723 -23.789 1.00 0.00 C ATOM 347 C ILE C 112 17.606 1.683 -25.054 1.00 0.00 C ATOM 348 O ILE C 112 17.939 0.608 -25.567 1.00 0.00 O ATOM 349 CB ILE C 112 17.444 0.928 -22.641 1.00 0.00 C ATOM 350 CG1 ILE C 112 16.477 0.729 -21.450 1.00 0.00 C ATOM 351 CG2 ILE C 112 18.674 1.698 -22.141 1.00 0.00 C ATOM 352 CD1 ILE C 112 15.916 2.084 -20.984 1.00 0.00 C ATOM 0 H ILE C 112 15.454 0.026 -23.809 1.00 0.00 H new ATOM 0 HA ILE C 112 16.605 2.758 -23.481 1.00 0.00 H new ATOM 0 HB ILE C 112 17.736 -0.045 -23.035 1.00 0.00 H new ATOM 0 HG12 ILE C 112 15.659 0.071 -21.743 1.00 0.00 H new ATOM 0 HG13 ILE C 112 16.999 0.242 -20.627 1.00 0.00 H new ATOM 0 HG21 ILE C 112 19.152 1.138 -21.337 1.00 0.00 H new ATOM 0 HG22 ILE C 112 19.380 1.829 -22.961 1.00 0.00 H new ATOM 0 HG23 ILE C 112 18.365 2.675 -21.769 1.00 0.00 H new ATOM 0 HD11 ILE C 112 15.237 1.928 -20.146 1.00 0.00 H new ATOM 0 HD12 ILE C 112 16.737 2.729 -20.671 1.00 0.00 H new ATOM 0 HD13 ILE C 112 15.376 2.556 -21.805 1.00 0.00 H new ATOM 364 N ASP C 113 17.897 2.829 -25.586 1.00 0.00 N ATOM 365 CA ASP C 113 18.667 2.928 -26.864 1.00 0.00 C ATOM 366 C ASP C 113 20.104 3.323 -26.530 1.00 0.00 C ATOM 367 O ASP C 113 20.365 3.898 -25.475 1.00 0.00 O ATOM 368 CB ASP C 113 17.947 4.037 -27.672 1.00 0.00 C ATOM 369 CG ASP C 113 16.481 3.650 -27.893 1.00 0.00 C ATOM 370 OD1 ASP C 113 16.231 2.811 -28.715 1.00 0.00 O1- ATOM 371 OD2 ASP C 113 15.622 4.209 -27.235 1.00 0.00 O ATOM 0 H ASP C 113 17.630 3.728 -25.184 1.00 0.00 H new ATOM 0 HA ASP C 113 18.707 1.997 -27.430 1.00 0.00 H new ATOM 0 HB2 ASP C 113 18.006 4.985 -27.138 1.00 0.00 H new ATOM 0 HB3 ASP C 113 18.443 4.181 -28.632 1.00 0.00 H new ATOM 376 N LEU C 114 21.053 3.009 -27.390 1.00 0.00 N ATOM 377 CA LEU C 114 22.504 3.342 -27.071 1.00 0.00 C ATOM 378 C LEU C 114 22.671 4.819 -26.733 1.00 0.00 C ATOM 379 O LEU C 114 23.371 5.158 -25.786 1.00 0.00 O ATOM 380 CB LEU C 114 23.329 3.024 -28.336 1.00 0.00 C ATOM 381 CG LEU C 114 23.352 1.518 -28.619 1.00 0.00 C ATOM 382 CD1 LEU C 114 24.146 1.265 -29.900 1.00 0.00 C ATOM 383 CD2 LEU C 114 24.046 0.786 -27.463 1.00 0.00 C ATOM 0 H LEU C 114 20.899 2.545 -28.285 1.00 0.00 H new ATOM 0 HA LEU C 114 22.834 2.761 -26.209 1.00 0.00 H new ATOM 0 HB2 LEU C 114 22.906 3.551 -29.191 1.00 0.00 H new ATOM 0 HB3 LEU C 114 24.348 3.388 -28.210 1.00 0.00 H new ATOM 0 HG LEU C 114 22.330 1.155 -28.726 1.00 0.00 H new ATOM 0 HD11 LEU C 114 24.168 0.196 -30.109 1.00 0.00 H new ATOM 0 HD12 LEU C 114 23.672 1.788 -30.731 1.00 0.00 H new ATOM 0 HD13 LEU C 114 25.165 1.631 -29.775 1.00 0.00 H new ATOM 0 HD21 LEU C 114 24.061 -0.285 -27.667 1.00 0.00 H new ATOM 0 HD22 LEU C 114 25.068 1.151 -27.363 1.00 0.00 H new ATOM 0 HD23 LEU C 114 23.503 0.971 -26.537 1.00 0.00 H new ATOM 395 N ASP C 115 22.044 5.711 -27.486 1.00 0.00 N ATOM 396 CA ASP C 115 22.196 7.169 -27.167 1.00 0.00 C ATOM 397 C ASP C 115 21.625 7.458 -25.777 1.00 0.00 C ATOM 398 O ASP C 115 22.213 8.171 -24.992 1.00 0.00 O ATOM 399 CB ASP C 115 21.420 7.944 -28.230 1.00 0.00 C ATOM 400 CG ASP C 115 22.013 9.327 -28.312 1.00 0.00 C ATOM 401 OD1 ASP C 115 23.061 9.457 -28.906 1.00 0.00 O1- ATOM 402 OD2 ASP C 115 21.442 10.227 -27.776 1.00 0.00 O ATOM 0 H ASP C 115 21.450 5.494 -28.286 1.00 0.00 H new ATOM 0 HA ASP C 115 23.245 7.463 -27.167 1.00 0.00 H new ATOM 0 HB2 ASP C 115 21.487 7.441 -29.195 1.00 0.00 H new ATOM 0 HB3 ASP C 115 20.363 7.996 -27.970 1.00 0.00 H new ATOM 407 N GLU C 116 20.500 6.861 -25.445 1.00 0.00 N ATOM 408 CA GLU C 116 19.918 7.052 -24.071 1.00 0.00 C ATOM 409 C GLU C 116 20.884 6.447 -23.033 1.00 0.00 C ATOM 410 O GLU C 116 21.065 6.996 -21.940 1.00 0.00 O ATOM 411 CB GLU C 116 18.605 6.242 -24.082 1.00 0.00 C ATOM 412 CG GLU C 116 17.620 6.824 -25.120 1.00 0.00 C ATOM 413 CD GLU C 116 16.301 6.065 -25.109 1.00 0.00 C ATOM 414 OE1 GLU C 116 16.241 4.961 -24.671 1.00 0.00 O1- ATOM 415 OE2 GLU C 116 15.360 6.569 -25.584 1.00 0.00 O ATOM 0 H GLU C 116 19.962 6.253 -26.062 1.00 0.00 H new ATOM 0 HA GLU C 116 19.755 8.101 -23.823 1.00 0.00 H new ATOM 0 HB2 GLU C 116 18.816 5.199 -24.317 1.00 0.00 H new ATOM 0 HB3 GLU C 116 18.151 6.260 -23.091 1.00 0.00 H new ATOM 0 HG2 GLU C 116 17.439 7.877 -24.904 1.00 0.00 H new ATOM 0 HG3 GLU C 116 18.063 6.774 -26.114 1.00 0.00 H new ATOM 422 N LEU C 117 21.468 5.303 -23.360 1.00 0.00 N ATOM 423 CA LEU C 117 22.407 4.608 -22.422 1.00 0.00 C ATOM 424 C LEU C 117 23.700 5.427 -22.259 1.00 0.00 C ATOM 425 O LEU C 117 24.189 5.588 -21.150 1.00 0.00 O ATOM 426 CB LEU C 117 22.693 3.240 -23.096 1.00 0.00 C ATOM 427 CG LEU C 117 23.447 2.302 -22.133 1.00 0.00 C ATOM 428 CD1 LEU C 117 22.509 1.843 -21.008 1.00 0.00 C ATOM 429 CD2 LEU C 117 23.939 1.071 -22.900 1.00 0.00 C ATOM 0 H LEU C 117 21.326 4.823 -24.249 1.00 0.00 H new ATOM 0 HA LEU C 117 21.990 4.488 -21.422 1.00 0.00 H new ATOM 0 HB2 LEU C 117 21.755 2.777 -23.402 1.00 0.00 H new ATOM 0 HB3 LEU C 117 23.283 3.391 -24.000 1.00 0.00 H new ATOM 0 HG LEU C 117 24.294 2.839 -21.706 1.00 0.00 H new ATOM 0 HD11 LEU C 117 23.049 1.180 -20.332 1.00 0.00 H new ATOM 0 HD12 LEU C 117 22.151 2.712 -20.456 1.00 0.00 H new ATOM 0 HD13 LEU C 117 21.660 1.310 -21.437 1.00 0.00 H new ATOM 0 HD21 LEU C 117 24.472 0.407 -22.219 1.00 0.00 H new ATOM 0 HD22 LEU C 117 23.086 0.544 -23.327 1.00 0.00 H new ATOM 0 HD23 LEU C 117 24.609 1.385 -23.700 1.00 0.00 H new ATOM 441 N LYS C 118 24.260 5.971 -23.339 1.00 0.00 N ATOM 442 CA LYS C 118 25.533 6.760 -23.172 1.00 0.00 C ATOM 443 C LYS C 118 25.296 7.990 -22.290 1.00 0.00 C ATOM 444 O LYS C 118 26.130 8.325 -21.473 1.00 0.00 O ATOM 445 CB LYS C 118 26.065 7.142 -24.586 1.00 0.00 C ATOM 446 CG LYS C 118 25.068 8.024 -25.358 1.00 0.00 C ATOM 447 CD LYS C 118 25.826 9.125 -26.109 1.00 0.00 C ATOM 448 CE LYS C 118 26.116 8.688 -27.567 1.00 0.00 C ATOM 449 NZ LYS C 118 25.570 9.782 -28.419 1.00 0.00 N1+ ATOM 0 H LYS C 118 23.901 5.903 -24.291 1.00 0.00 H new ATOM 0 HA LYS C 118 26.287 6.159 -22.665 1.00 0.00 H new ATOM 0 HB2 LYS C 118 27.014 7.669 -24.486 1.00 0.00 H new ATOM 0 HB3 LYS C 118 26.263 6.234 -25.156 1.00 0.00 H new ATOM 0 HG2 LYS C 118 24.499 7.416 -26.061 1.00 0.00 H new ATOM 0 HG3 LYS C 118 24.351 8.469 -24.668 1.00 0.00 H new ATOM 0 HD2 LYS C 118 25.239 10.044 -26.109 1.00 0.00 H new ATOM 0 HD3 LYS C 118 26.762 9.345 -25.596 1.00 0.00 H new ATOM 0 HE2 LYS C 118 27.185 8.556 -27.733 1.00 0.00 H new ATOM 0 HE3 LYS C 118 25.638 7.735 -27.795 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 25.790 9.588 -29.417 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 24.539 9.836 -28.296 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 26.000 10.687 -28.139 1.00 0.00 H new ATOM 463 N ILE C 119 24.150 8.625 -22.398 1.00 0.00 N ATOM 464 CA ILE C 119 23.868 9.816 -21.527 1.00 0.00 C ATOM 465 C ILE C 119 23.920 9.428 -20.039 1.00 0.00 C ATOM 466 O ILE C 119 24.413 10.191 -19.219 1.00 0.00 O ATOM 467 CB ILE C 119 22.473 10.344 -21.939 1.00 0.00 C ATOM 468 CG1 ILE C 119 22.524 10.826 -23.397 1.00 0.00 C ATOM 469 CG2 ILE C 119 22.070 11.527 -21.053 1.00 0.00 C ATOM 470 CD1 ILE C 119 21.127 11.230 -23.853 1.00 0.00 C ATOM 0 H ILE C 119 23.403 8.373 -23.046 1.00 0.00 H new ATOM 0 HA ILE C 119 24.620 10.594 -21.661 1.00 0.00 H new ATOM 0 HB ILE C 119 21.747 9.539 -21.826 1.00 0.00 H new ATOM 0 HG12 ILE C 119 23.205 11.672 -23.487 1.00 0.00 H new ATOM 0 HG13 ILE C 119 22.912 10.035 -24.038 1.00 0.00 H new ATOM 0 HG21 ILE C 119 21.087 11.889 -21.354 1.00 0.00 H new ATOM 0 HG22 ILE C 119 22.036 11.207 -20.012 1.00 0.00 H new ATOM 0 HG23 ILE C 119 22.800 12.329 -21.162 1.00 0.00 H new ATOM 0 HD11 ILE C 119 21.166 11.571 -24.887 1.00 0.00 H new ATOM 0 HD12 ILE C 119 20.458 10.373 -23.779 1.00 0.00 H new ATOM 0 HD13 ILE C 119 20.756 12.035 -23.219 1.00 0.00 H new ATOM 482 N MET C 120 23.459 8.242 -19.674 1.00 0.00 N ATOM 483 CA MET C 120 23.570 7.836 -18.223 1.00 0.00 C ATOM 484 C MET C 120 25.067 7.804 -17.862 1.00 0.00 C ATOM 485 O MET C 120 25.484 8.334 -16.839 1.00 0.00 O ATOM 486 CB MET C 120 22.973 6.416 -18.130 1.00 0.00 C ATOM 487 CG MET C 120 22.501 6.140 -16.694 1.00 0.00 C ATOM 488 SD MET C 120 23.638 4.980 -15.892 1.00 0.00 S ATOM 489 CE MET C 120 24.255 6.094 -14.605 1.00 0.00 C ATOM 0 H MET C 120 23.025 7.559 -20.295 1.00 0.00 H new ATOM 0 HA MET C 120 23.052 8.517 -17.548 1.00 0.00 H new ATOM 0 HB2 MET C 120 22.137 6.318 -18.822 1.00 0.00 H new ATOM 0 HB3 MET C 120 23.719 5.678 -18.425 1.00 0.00 H new ATOM 0 HG2 MET C 120 22.458 7.071 -16.129 1.00 0.00 H new ATOM 0 HG3 MET C 120 21.492 5.727 -16.705 1.00 0.00 H new ATOM 0 HE1 MET C 120 25.237 5.757 -14.273 1.00 0.00 H new ATOM 0 HE2 MET C 120 24.334 7.105 -15.006 1.00 0.00 H new ATOM 0 HE3 MET C 120 23.566 6.092 -13.761 1.00 0.00 H new ATOM 499 N LEU C 121 25.889 7.264 -18.744 1.00 0.00 N ATOM 500 CA LEU C 121 27.365 7.279 -18.508 1.00 0.00 C ATOM 501 C LEU C 121 27.894 8.713 -18.564 1.00 0.00 C ATOM 502 O LEU C 121 28.682 9.092 -17.751 1.00 0.00 O ATOM 503 CB LEU C 121 28.001 6.404 -19.606 1.00 0.00 C ATOM 504 CG LEU C 121 28.047 4.919 -19.169 1.00 0.00 C ATOM 505 CD1 LEU C 121 29.078 4.746 -18.052 1.00 0.00 C ATOM 506 CD2 LEU C 121 26.674 4.453 -18.658 1.00 0.00 C ATOM 0 H LEU C 121 25.595 6.817 -19.612 1.00 0.00 H new ATOM 0 HA LEU C 121 27.614 6.888 -17.522 1.00 0.00 H new ATOM 0 HB2 LEU C 121 27.429 6.498 -20.529 1.00 0.00 H new ATOM 0 HB3 LEU C 121 29.010 6.756 -19.819 1.00 0.00 H new ATOM 0 HG LEU C 121 28.323 4.317 -20.035 1.00 0.00 H new ATOM 0 HD11 LEU C 121 29.110 3.701 -17.745 1.00 0.00 H new ATOM 0 HD12 LEU C 121 30.061 5.048 -18.414 1.00 0.00 H new ATOM 0 HD13 LEU C 121 28.799 5.366 -17.200 1.00 0.00 H new ATOM 0 HD21 LEU C 121 26.733 3.407 -18.357 1.00 0.00 H new ATOM 0 HD22 LEU C 121 26.379 5.060 -17.802 1.00 0.00 H new ATOM 0 HD23 LEU C 121 25.935 4.561 -19.452 1.00 0.00 H new ATOM 518 N GLN C 122 27.412 9.532 -19.474 1.00 0.00 N ATOM 519 CA GLN C 122 27.866 10.979 -19.513 1.00 0.00 C ATOM 520 C GLN C 122 27.511 11.681 -18.185 1.00 0.00 C ATOM 521 O GLN C 122 28.283 12.484 -17.686 1.00 0.00 O ATOM 522 CB GLN C 122 27.114 11.634 -20.689 1.00 0.00 C ATOM 523 CG GLN C 122 27.580 11.026 -22.024 1.00 0.00 C ATOM 524 CD GLN C 122 26.820 11.685 -23.170 1.00 0.00 C ATOM 525 OE1 GLN C 122 25.757 11.240 -23.545 1.00 0.00 O ATOM 526 NE2 GLN C 122 27.301 12.745 -23.731 1.00 0.00 N ATOM 0 H GLN C 122 26.731 9.272 -20.187 1.00 0.00 H new ATOM 0 HA GLN C 122 28.945 11.058 -19.644 1.00 0.00 H new ATOM 0 HB2 GLN C 122 26.040 11.488 -20.570 1.00 0.00 H new ATOM 0 HB3 GLN C 122 27.291 12.709 -20.689 1.00 0.00 H new ATOM 0 HG2 GLN C 122 28.652 11.175 -22.150 1.00 0.00 H new ATOM 0 HG3 GLN C 122 27.405 9.950 -22.028 1.00 0.00 H new ATOM 0 HE21 GLN C 122 28.195 13.125 -23.421 1.00 0.00 H new ATOM 0 HE22 GLN C 122 26.787 13.202 -24.484 1.00 0.00 H new ATOM 535 N ALA C 123 26.388 11.329 -17.579 1.00 0.00 N ATOM 536 CA ALA C 123 26.015 11.910 -16.232 1.00 0.00 C ATOM 537 C ALA C 123 26.969 11.356 -15.157 1.00 0.00 C ATOM 538 O ALA C 123 27.216 11.982 -14.140 1.00 0.00 O ATOM 539 CB ALA C 123 24.588 11.423 -15.956 1.00 0.00 C ATOM 0 H ALA C 123 25.714 10.665 -17.959 1.00 0.00 H new ATOM 0 HA ALA C 123 26.082 12.998 -16.220 1.00 0.00 H new ATOM 0 HB1 ALA C 123 24.252 11.807 -14.993 1.00 0.00 H new ATOM 0 HB2 ALA C 123 23.923 11.781 -16.742 1.00 0.00 H new ATOM 0 HB3 ALA C 123 24.573 10.333 -15.937 1.00 0.00 H new ATOM 545 N THR C 124 27.502 10.196 -15.392 1.00 0.00 N ATOM 546 CA THR C 124 28.426 9.559 -14.459 1.00 0.00 C ATOM 547 C THR C 124 29.837 10.014 -14.859 1.00 0.00 C ATOM 548 O THR C 124 30.404 9.560 -15.841 1.00 0.00 O ATOM 549 CB THR C 124 28.214 8.054 -14.747 1.00 0.00 C ATOM 550 OG1 THR C 124 26.813 7.733 -14.666 1.00 0.00 O ATOM 551 CG2 THR C 124 28.962 7.215 -13.737 1.00 0.00 C ATOM 0 H THR C 124 27.318 9.650 -16.234 1.00 0.00 H new ATOM 0 HA THR C 124 28.282 9.792 -13.404 1.00 0.00 H new ATOM 0 HB THR C 124 28.589 7.840 -15.748 1.00 0.00 H new ATOM 0 HG1 THR C 124 26.452 7.612 -15.569 1.00 0.00 H new ATOM 0 HG21 THR C 124 28.803 6.158 -13.953 1.00 0.00 H new ATOM 0 HG22 THR C 124 30.027 7.441 -13.794 1.00 0.00 H new ATOM 0 HG23 THR C 124 28.596 7.440 -12.735 1.00 0.00 H new ATOM 559 N GLY C 125 30.368 10.942 -14.145 1.00 0.00 N ATOM 560 CA GLY C 125 31.737 11.527 -14.465 1.00 0.00 C ATOM 561 C GLY C 125 32.856 10.490 -14.238 1.00 0.00 C ATOM 562 O GLY C 125 33.821 10.757 -13.544 1.00 0.00 O ATOM 0 H GLY C 125 29.921 11.350 -13.324 1.00 0.00 H new ATOM 0 HA2 GLY C 125 31.757 11.866 -15.501 1.00 0.00 H new ATOM 0 HA3 GLY C 125 31.916 12.402 -13.840 1.00 0.00 H new ATOM 566 N GLU C 126 32.745 9.341 -14.845 1.00 0.00 N ATOM 567 CA GLU C 126 33.787 8.280 -14.743 1.00 0.00 C ATOM 568 C GLU C 126 34.240 7.921 -16.160 1.00 0.00 C ATOM 569 O GLU C 126 33.654 8.382 -17.139 1.00 0.00 O ATOM 570 CB GLU C 126 33.085 7.082 -14.084 1.00 0.00 C ATOM 571 CG GLU C 126 32.565 7.481 -12.685 1.00 0.00 C ATOM 572 CD GLU C 126 32.038 6.271 -11.927 1.00 0.00 C ATOM 573 OE1 GLU C 126 32.510 5.171 -12.157 1.00 0.00 O ATOM 574 OE2 GLU C 126 31.198 6.461 -11.096 1.00 0.00 O1- ATOM 0 H GLU C 126 31.947 9.086 -15.427 1.00 0.00 H new ATOM 0 HA GLU C 126 34.661 8.587 -14.168 1.00 0.00 H new ATOM 0 HB2 GLU C 126 32.256 6.747 -14.708 1.00 0.00 H new ATOM 0 HB3 GLU C 126 33.778 6.245 -13.999 1.00 0.00 H new ATOM 0 HG2 GLU C 126 33.368 7.948 -12.115 1.00 0.00 H new ATOM 0 HG3 GLU C 126 31.773 8.223 -12.787 1.00 0.00 H new ATOM 581 N THR C 127 35.250 7.110 -16.296 1.00 0.00 N ATOM 582 CA THR C 127 35.716 6.716 -17.668 1.00 0.00 C ATOM 583 C THR C 127 34.543 6.030 -18.414 1.00 0.00 C ATOM 584 O THR C 127 33.956 5.064 -17.923 1.00 0.00 O ATOM 585 CB THR C 127 36.876 5.717 -17.423 1.00 0.00 C ATOM 586 OG1 THR C 127 36.654 4.984 -16.200 1.00 0.00 O ATOM 587 CG2 THR C 127 38.197 6.482 -17.315 1.00 0.00 C ATOM 0 H THR C 127 35.776 6.700 -15.524 1.00 0.00 H new ATOM 0 HA THR C 127 36.043 7.561 -18.273 1.00 0.00 H new ATOM 0 HB THR C 127 36.919 5.018 -18.258 1.00 0.00 H new ATOM 0 HG1 THR C 127 37.392 4.355 -16.057 1.00 0.00 H new ATOM 0 HG21 THR C 127 39.012 5.779 -17.143 1.00 0.00 H new ATOM 0 HG22 THR C 127 38.378 7.028 -18.241 1.00 0.00 H new ATOM 0 HG23 THR C 127 38.143 7.185 -16.484 1.00 0.00 H new ATOM 595 N ILE C 128 34.205 6.518 -19.571 1.00 0.00 N ATOM 596 CA ILE C 128 33.074 5.937 -20.362 1.00 0.00 C ATOM 597 C ILE C 128 33.599 5.468 -21.718 1.00 0.00 C ATOM 598 O ILE C 128 34.336 6.183 -22.382 1.00 0.00 O ATOM 599 CB ILE C 128 32.042 7.108 -20.530 1.00 0.00 C ATOM 600 CG1 ILE C 128 30.905 6.691 -21.488 1.00 0.00 C ATOM 601 CG2 ILE C 128 32.713 8.394 -21.059 1.00 0.00 C ATOM 602 CD1 ILE C 128 29.920 7.856 -21.658 1.00 0.00 C ATOM 0 H ILE C 128 34.670 7.310 -20.015 1.00 0.00 H new ATOM 0 HA ILE C 128 32.614 5.076 -19.877 1.00 0.00 H new ATOM 0 HB ILE C 128 31.632 7.319 -19.542 1.00 0.00 H new ATOM 0 HG12 ILE C 128 31.318 6.407 -22.456 1.00 0.00 H new ATOM 0 HG13 ILE C 128 30.386 5.817 -21.094 1.00 0.00 H new ATOM 0 HG21 ILE C 128 31.964 9.180 -21.161 1.00 0.00 H new ATOM 0 HG22 ILE C 128 33.484 8.716 -20.359 1.00 0.00 H new ATOM 0 HG23 ILE C 128 33.165 8.195 -22.031 1.00 0.00 H new ATOM 0 HD11 ILE C 128 29.119 7.559 -22.335 1.00 0.00 H new ATOM 0 HD12 ILE C 128 29.497 8.120 -20.688 1.00 0.00 H new ATOM 0 HD13 ILE C 128 30.444 8.718 -22.072 1.00 0.00 H new ATOM 614 N THR C 129 33.203 4.307 -22.151 1.00 0.00 N ATOM 615 CA THR C 129 33.632 3.837 -23.487 1.00 0.00 C ATOM 616 C THR C 129 32.367 3.536 -24.294 1.00 0.00 C ATOM 617 O THR C 129 31.528 2.757 -23.861 1.00 0.00 O ATOM 618 CB THR C 129 34.413 2.531 -23.211 1.00 0.00 C ATOM 619 OG1 THR C 129 35.304 2.719 -22.103 1.00 0.00 O ATOM 620 CG2 THR C 129 35.235 2.149 -24.453 1.00 0.00 C ATOM 0 H THR C 129 32.601 3.665 -21.635 1.00 0.00 H new ATOM 0 HA THR C 129 34.239 4.556 -24.037 1.00 0.00 H new ATOM 0 HB THR C 129 33.703 1.738 -22.978 1.00 0.00 H new ATOM 0 HG1 THR C 129 35.794 1.888 -21.933 1.00 0.00 H new ATOM 0 HG21 THR C 129 35.785 1.228 -24.257 1.00 0.00 H new ATOM 0 HG22 THR C 129 34.566 1.998 -25.300 1.00 0.00 H new ATOM 0 HG23 THR C 129 35.938 2.949 -24.684 1.00 0.00 H new ATOM 628 N GLU C 130 32.229 4.086 -25.471 1.00 0.00 N ATOM 629 CA GLU C 130 31.030 3.734 -26.293 1.00 0.00 C ATOM 630 C GLU C 130 31.081 2.240 -26.684 1.00 0.00 C ATOM 631 O GLU C 130 30.055 1.578 -26.712 1.00 0.00 O ATOM 632 CB GLU C 130 31.014 4.669 -27.509 1.00 0.00 C ATOM 633 CG GLU C 130 30.734 6.116 -27.017 1.00 0.00 C ATOM 634 CD GLU C 130 30.477 7.058 -28.185 1.00 0.00 C ATOM 635 OE1 GLU C 130 31.044 6.866 -29.234 1.00 0.00 O1- ATOM 636 OE2 GLU C 130 29.700 7.965 -28.009 1.00 0.00 O ATOM 0 H GLU C 130 32.878 4.750 -25.894 1.00 0.00 H new ATOM 0 HA GLU C 130 30.104 3.871 -25.735 1.00 0.00 H new ATOM 0 HB2 GLU C 130 31.969 4.625 -28.032 1.00 0.00 H new ATOM 0 HB3 GLU C 130 30.248 4.355 -28.218 1.00 0.00 H new ATOM 0 HG2 GLU C 130 29.871 6.115 -26.351 1.00 0.00 H new ATOM 0 HG3 GLU C 130 31.584 6.476 -26.437 1.00 0.00 H new ATOM 643 N ASP C 131 32.279 1.678 -26.877 1.00 0.00 N ATOM 644 CA ASP C 131 32.384 0.190 -27.153 1.00 0.00 C ATOM 645 C ASP C 131 31.756 -0.558 -25.969 1.00 0.00 C ATOM 646 O ASP C 131 30.988 -1.490 -26.150 1.00 0.00 O ATOM 647 CB ASP C 131 33.904 -0.139 -27.182 1.00 0.00 C ATOM 648 CG ASP C 131 34.588 0.519 -28.360 1.00 0.00 C ATOM 649 OD1 ASP C 131 34.940 1.675 -28.234 1.00 0.00 O ATOM 650 OD2 ASP C 131 34.791 -0.148 -29.356 1.00 0.00 O1- ATOM 0 H ASP C 131 33.167 2.179 -26.855 1.00 0.00 H new ATOM 0 HA ASP C 131 31.888 -0.090 -28.082 1.00 0.00 H new ATOM 0 HB2 ASP C 131 34.368 0.197 -26.255 1.00 0.00 H new ATOM 0 HB3 ASP C 131 34.043 -1.219 -27.235 1.00 0.00 H new ATOM 655 N ASP C 132 32.045 -0.111 -24.755 1.00 0.00 N ATOM 656 CA ASP C 132 31.438 -0.747 -23.527 1.00 0.00 C ATOM 657 C ASP C 132 29.916 -0.624 -23.586 1.00 0.00 C ATOM 658 O ASP C 132 29.198 -1.600 -23.431 1.00 0.00 O ATOM 659 CB ASP C 132 31.976 0.078 -22.351 1.00 0.00 C ATOM 660 CG ASP C 132 31.489 -0.517 -21.051 1.00 0.00 C ATOM 661 OD1 ASP C 132 32.106 -1.432 -20.581 1.00 0.00 O ATOM 662 OD2 ASP C 132 30.508 -0.019 -20.538 1.00 0.00 O1- ATOM 0 H ASP C 132 32.676 0.668 -24.565 1.00 0.00 H new ATOM 0 HA ASP C 132 31.686 -1.805 -23.440 1.00 0.00 H new ATOM 0 HB2 ASP C 132 33.066 0.091 -22.371 1.00 0.00 H new ATOM 0 HB3 ASP C 132 31.643 1.112 -22.437 1.00 0.00 H new ATOM 667 N ILE C 133 29.418 0.555 -23.905 1.00 0.00 N ATOM 668 CA ILE C 133 27.930 0.751 -24.023 1.00 0.00 C ATOM 669 C ILE C 133 27.356 -0.256 -25.044 1.00 0.00 C ATOM 670 O ILE C 133 26.297 -0.851 -24.815 1.00 0.00 O ATOM 671 CB ILE C 133 27.743 2.223 -24.506 1.00 0.00 C ATOM 672 CG1 ILE C 133 28.325 3.197 -23.463 1.00 0.00 C ATOM 673 CG2 ILE C 133 26.256 2.547 -24.699 1.00 0.00 C ATOM 674 CD1 ILE C 133 28.287 4.623 -24.010 1.00 0.00 C ATOM 0 H ILE C 133 29.977 1.388 -24.088 1.00 0.00 H new ATOM 0 HA ILE C 133 27.406 0.581 -23.082 1.00 0.00 H new ATOM 0 HB ILE C 133 28.264 2.334 -25.457 1.00 0.00 H new ATOM 0 HG12 ILE C 133 27.753 3.137 -22.537 1.00 0.00 H new ATOM 0 HG13 ILE C 133 29.351 2.917 -23.223 1.00 0.00 H new ATOM 0 HG21 ILE C 133 26.149 3.578 -25.036 1.00 0.00 H new ATOM 0 HG22 ILE C 133 25.831 1.876 -25.445 1.00 0.00 H new ATOM 0 HG23 ILE C 133 25.730 2.418 -23.753 1.00 0.00 H new ATOM 0 HD11 ILE C 133 28.699 5.308 -23.269 1.00 0.00 H new ATOM 0 HD12 ILE C 133 28.878 4.678 -24.924 1.00 0.00 H new ATOM 0 HD13 ILE C 133 27.256 4.902 -24.228 1.00 0.00 H new ATOM 686 N GLU C 134 28.038 -0.474 -26.159 1.00 0.00 N ATOM 687 CA GLU C 134 27.515 -1.468 -27.142 1.00 0.00 C ATOM 688 C GLU C 134 27.513 -2.865 -26.494 1.00 0.00 C ATOM 689 O GLU C 134 26.559 -3.629 -26.659 1.00 0.00 O ATOM 690 CB GLU C 134 28.476 -1.457 -28.334 1.00 0.00 C ATOM 691 CG GLU C 134 27.855 -2.272 -29.476 1.00 0.00 C ATOM 692 CD GLU C 134 28.883 -2.530 -30.535 1.00 0.00 C ATOM 693 OE1 GLU C 134 29.270 -1.615 -31.193 1.00 0.00 O ATOM 694 OE2 GLU C 134 29.275 -3.671 -30.662 1.00 0.00 O1- ATOM 0 H GLU C 134 28.911 -0.014 -26.417 1.00 0.00 H new ATOM 0 HA GLU C 134 26.500 -1.225 -27.455 1.00 0.00 H new ATOM 0 HB2 GLU C 134 28.663 -0.433 -28.659 1.00 0.00 H new ATOM 0 HB3 GLU C 134 29.438 -1.881 -28.047 1.00 0.00 H new ATOM 0 HG2 GLU C 134 27.470 -3.217 -29.093 1.00 0.00 H new ATOM 0 HG3 GLU C 134 27.009 -1.732 -29.902 1.00 0.00 H new ATOM 701 N GLU C 135 28.550 -3.211 -25.731 1.00 0.00 N ATOM 702 CA GLU C 135 28.542 -4.560 -25.053 1.00 0.00 C ATOM 703 C GLU C 135 27.387 -4.603 -24.086 1.00 0.00 C ATOM 704 O GLU C 135 26.672 -5.590 -24.013 1.00 0.00 O ATOM 705 CB GLU C 135 29.847 -4.668 -24.252 1.00 0.00 C ATOM 706 CG GLU C 135 31.065 -4.698 -25.174 1.00 0.00 C ATOM 707 CD GLU C 135 30.961 -5.834 -26.177 1.00 0.00 C ATOM 708 OE1 GLU C 135 30.789 -6.949 -25.773 1.00 0.00 O1- ATOM 709 OE2 GLU C 135 31.053 -5.572 -27.348 1.00 0.00 O ATOM 0 H GLU C 135 29.373 -2.634 -25.557 1.00 0.00 H new ATOM 0 HA GLU C 135 28.452 -5.368 -25.779 1.00 0.00 H new ATOM 0 HB2 GLU C 135 29.927 -3.823 -23.568 1.00 0.00 H new ATOM 0 HB3 GLU C 135 29.828 -5.571 -23.642 1.00 0.00 H new ATOM 0 HG2 GLU C 135 31.149 -3.748 -25.702 1.00 0.00 H new ATOM 0 HG3 GLU C 135 31.972 -4.814 -24.581 1.00 0.00 H new ATOM 716 N LEU C 136 27.166 -3.520 -23.363 1.00 0.00 N ATOM 717 CA LEU C 136 26.022 -3.510 -22.413 1.00 0.00 C ATOM 718 C LEU C 136 24.715 -3.680 -23.201 1.00 0.00 C ATOM 719 O LEU C 136 23.808 -4.359 -22.762 1.00 0.00 O ATOM 720 CB LEU C 136 26.043 -2.156 -21.662 1.00 0.00 C ATOM 721 CG LEU C 136 27.382 -1.942 -20.903 1.00 0.00 C ATOM 722 CD1 LEU C 136 27.264 -0.748 -19.963 1.00 0.00 C ATOM 723 CD2 LEU C 136 27.763 -3.191 -20.088 1.00 0.00 C ATOM 0 H LEU C 136 27.722 -2.665 -23.395 1.00 0.00 H new ATOM 0 HA LEU C 136 26.096 -4.326 -21.694 1.00 0.00 H new ATOM 0 HB2 LEU C 136 25.893 -1.343 -22.373 1.00 0.00 H new ATOM 0 HB3 LEU C 136 25.214 -2.119 -20.955 1.00 0.00 H new ATOM 0 HG LEU C 136 28.160 -1.755 -21.643 1.00 0.00 H new ATOM 0 HD11 LEU C 136 28.207 -0.606 -19.435 1.00 0.00 H new ATOM 0 HD12 LEU C 136 27.032 0.147 -20.540 1.00 0.00 H new ATOM 0 HD13 LEU C 136 26.468 -0.931 -19.241 1.00 0.00 H new ATOM 0 HD21 LEU C 136 28.704 -3.013 -19.567 1.00 0.00 H new ATOM 0 HD22 LEU C 136 26.980 -3.403 -19.360 1.00 0.00 H new ATOM 0 HD23 LEU C 136 27.875 -4.043 -20.759 1.00 0.00 H new ATOM 735 N MET C 137 24.626 -3.090 -24.384 1.00 0.00 N ATOM 736 CA MET C 137 23.393 -3.268 -25.223 1.00 0.00 C ATOM 737 C MET C 137 23.217 -4.749 -25.586 1.00 0.00 C ATOM 738 O MET C 137 22.156 -5.314 -25.385 1.00 0.00 O ATOM 739 CB MET C 137 23.637 -2.395 -26.501 1.00 0.00 C ATOM 740 CG MET C 137 23.013 -3.048 -27.761 1.00 0.00 C ATOM 741 SD MET C 137 22.765 -1.801 -29.043 1.00 0.00 S ATOM 742 CE MET C 137 21.242 -1.079 -28.369 1.00 0.00 C ATOM 0 H MET C 137 25.349 -2.500 -24.796 1.00 0.00 H new ATOM 0 HA MET C 137 22.485 -2.963 -24.703 1.00 0.00 H new ATOM 0 HB2 MET C 137 23.209 -1.404 -26.353 1.00 0.00 H new ATOM 0 HB3 MET C 137 24.708 -2.260 -26.652 1.00 0.00 H new ATOM 0 HG2 MET C 137 23.665 -3.838 -28.132 1.00 0.00 H new ATOM 0 HG3 MET C 137 22.061 -3.514 -27.506 1.00 0.00 H new ATOM 0 HE1 MET C 137 20.724 -0.525 -29.152 1.00 0.00 H new ATOM 0 HE2 MET C 137 20.595 -1.874 -27.999 1.00 0.00 H new ATOM 0 HE3 MET C 137 21.491 -0.403 -27.551 1.00 0.00 H new ATOM 752 N LYS C 138 24.246 -5.365 -26.128 1.00 0.00 N ATOM 753 CA LYS C 138 24.141 -6.816 -26.537 1.00 0.00 C ATOM 754 C LYS C 138 23.891 -7.701 -25.315 1.00 0.00 C ATOM 755 O LYS C 138 23.022 -8.544 -25.341 1.00 0.00 O ATOM 756 CB LYS C 138 25.482 -7.143 -27.197 1.00 0.00 C ATOM 757 CG LYS C 138 25.601 -6.374 -28.538 1.00 0.00 C ATOM 758 CD LYS C 138 26.972 -6.632 -29.178 1.00 0.00 C ATOM 759 CE LYS C 138 28.037 -5.853 -28.378 1.00 0.00 C ATOM 760 NZ LYS C 138 29.252 -5.803 -29.243 1.00 0.00 N1+ ATOM 0 H LYS C 138 25.152 -4.932 -26.306 1.00 0.00 H new ATOM 0 HA LYS C 138 23.308 -6.995 -27.217 1.00 0.00 H new ATOM 0 HB2 LYS C 138 26.302 -6.868 -26.534 1.00 0.00 H new ATOM 0 HB3 LYS C 138 25.561 -8.216 -27.373 1.00 0.00 H new ATOM 0 HG2 LYS C 138 24.809 -6.689 -29.218 1.00 0.00 H new ATOM 0 HG3 LYS C 138 25.467 -5.306 -28.366 1.00 0.00 H new ATOM 0 HD2 LYS C 138 27.198 -7.698 -29.173 1.00 0.00 H new ATOM 0 HD3 LYS C 138 26.971 -6.312 -30.220 1.00 0.00 H new ATOM 0 HE2 LYS C 138 27.687 -4.849 -28.139 1.00 0.00 H new ATOM 0 HE3 LYS C 138 28.253 -6.349 -27.432 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 30.102 -5.756 -28.645 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 29.292 -6.657 -29.835 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 29.210 -4.961 -29.852 1.00 0.00 H new ATOM 774 N ASP C 139 24.606 -7.480 -24.222 1.00 0.00 N ATOM 775 CA ASP C 139 24.326 -8.280 -22.971 1.00 0.00 C ATOM 776 C ASP C 139 22.920 -7.940 -22.464 1.00 0.00 C ATOM 777 O ASP C 139 22.223 -8.776 -21.917 1.00 0.00 O ATOM 778 CB ASP C 139 25.380 -7.845 -21.935 1.00 0.00 C ATOM 779 CG ASP C 139 25.304 -8.763 -20.723 1.00 0.00 C ATOM 780 OD1 ASP C 139 25.951 -9.783 -20.732 1.00 0.00 O ATOM 781 OD2 ASP C 139 24.587 -8.444 -19.810 1.00 0.00 O1- ATOM 0 H ASP C 139 25.357 -6.794 -24.143 1.00 0.00 H new ATOM 0 HA ASP C 139 24.376 -9.354 -23.153 1.00 0.00 H new ATOM 0 HB2 ASP C 139 26.377 -7.886 -22.374 1.00 0.00 H new ATOM 0 HB3 ASP C 139 25.206 -6.812 -21.634 1.00 0.00 H new ATOM 786 N GLY C 140 22.534 -6.692 -22.569 1.00 0.00 N ATOM 787 CA GLY C 140 21.216 -6.241 -22.057 1.00 0.00 C ATOM 788 C GLY C 140 20.046 -6.785 -22.888 1.00 0.00 C ATOM 789 O GLY C 140 19.033 -7.190 -22.317 1.00 0.00 O ATOM 0 H GLY C 140 23.094 -5.956 -22.999 1.00 0.00 H new ATOM 0 HA2 GLY C 140 21.103 -6.562 -21.022 1.00 0.00 H new ATOM 0 HA3 GLY C 140 21.183 -5.152 -22.058 1.00 0.00 H new ATOM 793 N ASP C 141 20.122 -6.756 -24.203 1.00 0.00 N ATOM 794 CA ASP C 141 18.916 -7.169 -25.032 1.00 0.00 C ATOM 795 C ASP C 141 18.689 -8.693 -25.037 1.00 0.00 C ATOM 796 O ASP C 141 19.199 -9.411 -25.873 1.00 0.00 O ATOM 797 CB ASP C 141 19.197 -6.664 -26.464 1.00 0.00 C ATOM 798 CG ASP C 141 17.986 -6.872 -27.360 1.00 0.00 C ATOM 799 OD1 ASP C 141 16.879 -6.992 -26.850 1.00 0.00 O1- ATOM 800 OD2 ASP C 141 18.155 -6.867 -28.536 1.00 0.00 O ATOM 0 H ASP C 141 20.944 -6.472 -24.736 1.00 0.00 H new ATOM 0 HA ASP C 141 18.007 -6.740 -24.609 1.00 0.00 H new ATOM 0 HB2 ASP C 141 19.456 -5.606 -26.436 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.056 -7.192 -26.878 1.00 0.00 H new ATOM 805 N LYS C 142 17.869 -9.169 -24.138 1.00 0.00 N ATOM 806 CA LYS C 142 17.525 -10.646 -24.086 1.00 0.00 C ATOM 807 C LYS C 142 16.720 -11.104 -25.320 1.00 0.00 C ATOM 808 O LYS C 142 16.817 -12.248 -25.726 1.00 0.00 O ATOM 809 CB LYS C 142 16.675 -10.836 -22.815 1.00 0.00 C ATOM 810 CG LYS C 142 17.471 -10.398 -21.579 1.00 0.00 C ATOM 811 CD LYS C 142 18.728 -11.293 -21.421 1.00 0.00 C ATOM 812 CE LYS C 142 20.015 -10.485 -21.713 1.00 0.00 C ATOM 813 NZ LYS C 142 19.944 -9.264 -20.868 1.00 0.00 N1+ ATOM 0 H LYS C 142 17.411 -8.602 -23.424 1.00 0.00 H new ATOM 0 HA LYS C 142 18.437 -11.242 -24.076 1.00 0.00 H new ATOM 0 HB2 LYS C 142 15.757 -10.253 -22.891 1.00 0.00 H new ATOM 0 HB3 LYS C 142 16.382 -11.881 -22.717 1.00 0.00 H new ATOM 0 HG2 LYS C 142 17.767 -9.353 -21.677 1.00 0.00 H new ATOM 0 HG3 LYS C 142 16.847 -10.471 -20.688 1.00 0.00 H new ATOM 0 HD2 LYS C 142 18.768 -11.697 -20.409 1.00 0.00 H new ATOM 0 HD3 LYS C 142 18.664 -12.142 -22.101 1.00 0.00 H new ATOM 0 HE2 LYS C 142 20.903 -11.070 -21.476 1.00 0.00 H new ATOM 0 HE3 LYS C 142 20.078 -10.223 -22.769 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 20.894 -8.852 -20.772 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 19.309 -8.570 -21.313 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 19.579 -9.514 -19.927 1.00 0.00 H new ATOM 827 N ASN C 143 15.829 -10.280 -25.827 1.00 0.00 N ATOM 828 CA ASN C 143 14.919 -10.745 -26.957 1.00 0.00 C ATOM 829 C ASN C 143 15.560 -10.587 -28.341 1.00 0.00 C ATOM 830 O ASN C 143 14.909 -10.869 -29.343 1.00 0.00 O ATOM 831 CB ASN C 143 13.666 -9.868 -26.862 1.00 0.00 C ATOM 832 CG ASN C 143 12.504 -10.516 -27.626 1.00 0.00 C ATOM 833 OD1 ASN C 143 12.317 -11.727 -27.579 1.00 0.00 O ATOM 834 ND2 ASN C 143 11.707 -9.779 -28.323 1.00 0.00 N ATOM 0 H ASN C 143 15.685 -9.318 -25.521 1.00 0.00 H new ATOM 0 HA ASN C 143 14.705 -11.808 -26.850 1.00 0.00 H new ATOM 0 HB2 ASN C 143 13.390 -9.728 -25.817 1.00 0.00 H new ATOM 0 HB3 ASN C 143 13.874 -8.880 -27.272 1.00 0.00 H new ATOM 0 HD21 ASN C 143 10.930 -10.205 -28.828 1.00 0.00 H new ATOM 0 HD22 ASN C 143 11.854 -8.771 -28.369 1.00 0.00 H new ATOM 841 N ASN C 144 16.800 -10.103 -28.441 1.00 0.00 N ATOM 842 CA ASN C 144 17.448 -9.880 -29.806 1.00 0.00 C ATOM 843 C ASN C 144 16.560 -8.921 -30.633 1.00 0.00 C ATOM 844 O ASN C 144 16.382 -9.087 -31.839 1.00 0.00 O ATOM 845 CB ASN C 144 17.499 -11.272 -30.474 1.00 0.00 C ATOM 846 CG ASN C 144 18.505 -11.262 -31.628 1.00 0.00 C ATOM 847 OD1 ASN C 144 19.696 -11.370 -31.410 1.00 0.00 O ATOM 848 ND2 ASN C 144 18.090 -11.134 -32.851 1.00 0.00 N ATOM 0 H ASN C 144 17.386 -9.855 -27.644 1.00 0.00 H new ATOM 0 HA ASN C 144 18.442 -9.440 -29.730 1.00 0.00 H new ATOM 0 HB2 ASN C 144 17.782 -12.027 -29.740 1.00 0.00 H new ATOM 0 HB3 ASN C 144 16.510 -11.543 -30.845 1.00 0.00 H new ATOM 0 HD21 ASN C 144 18.761 -11.125 -33.619 1.00 0.00 H new ATOM 0 HD22 ASN C 144 17.093 -11.043 -33.044 1.00 0.00 H new ATOM 855 N ASP C 145 16.039 -7.902 -30.003 1.00 0.00 N ATOM 856 CA ASP C 145 15.193 -6.877 -30.720 1.00 0.00 C ATOM 857 C ASP C 145 16.008 -5.603 -31.055 1.00 0.00 C ATOM 858 O ASP C 145 15.456 -4.630 -31.544 1.00 0.00 O ATOM 859 CB ASP C 145 14.015 -6.549 -29.763 1.00 0.00 C ATOM 860 CG ASP C 145 14.519 -6.119 -28.405 1.00 0.00 C ATOM 861 OD1 ASP C 145 15.271 -5.234 -28.301 1.00 0.00 O ATOM 862 OD2 ASP C 145 14.186 -6.716 -27.463 1.00 0.00 O1- ATOM 0 H ASP C 145 16.161 -7.726 -29.006 1.00 0.00 H new ATOM 0 HA ASP C 145 14.836 -7.264 -31.674 1.00 0.00 H new ATOM 0 HB2 ASP C 145 13.402 -5.757 -30.194 1.00 0.00 H new ATOM 0 HB3 ASP C 145 13.375 -7.425 -29.656 1.00 0.00 H new ATOM 867 N GLY C 146 17.292 -5.583 -30.776 1.00 0.00 N ATOM 868 CA GLY C 146 18.135 -4.392 -31.110 1.00 0.00 C ATOM 869 C GLY C 146 18.239 -3.393 -29.942 1.00 0.00 C ATOM 870 O GLY C 146 18.951 -2.417 -30.055 1.00 0.00 O ATOM 0 H GLY C 146 17.794 -6.349 -30.327 1.00 0.00 H new ATOM 0 HA2 GLY C 146 19.135 -4.726 -31.388 1.00 0.00 H new ATOM 0 HA3 GLY C 146 17.715 -3.886 -31.979 1.00 0.00 H new ATOM 874 N ARG C 147 17.552 -3.600 -28.830 1.00 0.00 N ATOM 875 CA ARG C 147 17.658 -2.610 -27.687 1.00 0.00 C ATOM 876 C ARG C 147 17.376 -3.301 -26.349 1.00 0.00 C ATOM 877 O ARG C 147 16.768 -4.394 -26.303 1.00 0.00 O ATOM 878 CB ARG C 147 16.592 -1.524 -27.986 1.00 0.00 C ATOM 879 CG ARG C 147 15.176 -2.101 -27.828 1.00 0.00 C ATOM 880 CD ARG C 147 14.293 -1.669 -29.010 1.00 0.00 C ATOM 881 NE ARG C 147 14.023 -2.938 -29.759 1.00 0.00 N ATOM 882 CZ ARG C 147 12.794 -3.343 -29.905 1.00 0.00 C ATOM 883 NH1 ARG C 147 12.200 -3.989 -28.920 1.00 0.00 N ATOM 884 NH2 ARG C 147 12.160 -3.082 -31.032 1.00 0.00 N1+ ATOM 0 H ARG C 147 16.934 -4.394 -28.664 1.00 0.00 H new ATOM 0 HA ARG C 147 18.657 -2.181 -27.609 1.00 0.00 H new ATOM 0 HB2 ARG C 147 16.725 -0.680 -27.309 1.00 0.00 H new ATOM 0 HB3 ARG C 147 16.725 -1.144 -28.999 1.00 0.00 H new ATOM 0 HG2 ARG C 147 15.222 -3.189 -27.777 1.00 0.00 H new ATOM 0 HG3 ARG C 147 14.737 -1.757 -26.892 1.00 0.00 H new ATOM 0 HD2 ARG C 147 13.368 -1.206 -28.666 1.00 0.00 H new ATOM 0 HD3 ARG C 147 14.801 -0.937 -29.638 1.00 0.00 H new ATOM 0 HE ARG C 147 14.794 -3.479 -30.151 1.00 0.00 H new ATOM 0 HH11 ARG C 147 12.703 -4.168 -28.051 1.00 0.00 H new ATOM 0 HH12 ARG C 147 11.238 -4.309 -29.027 1.00 0.00 H new ATOM 0 HH21 ARG C 147 12.633 -2.569 -31.776 1.00 0.00 H new ATOM 0 HH22 ARG C 147 11.197 -3.394 -31.159 1.00 0.00 H new ATOM 898 N ILE C 148 17.682 -2.652 -25.255 1.00 0.00 N ATOM 899 CA ILE C 148 17.334 -3.256 -23.940 1.00 0.00 C ATOM 900 C ILE C 148 15.914 -2.782 -23.604 1.00 0.00 C ATOM 901 O ILE C 148 15.595 -1.593 -23.675 1.00 0.00 O ATOM 902 CB ILE C 148 18.380 -2.722 -22.925 1.00 0.00 C ATOM 903 CG1 ILE C 148 19.795 -3.041 -23.434 1.00 0.00 C ATOM 904 CG2 ILE C 148 18.189 -3.413 -21.561 1.00 0.00 C ATOM 905 CD1 ILE C 148 20.821 -2.419 -22.493 1.00 0.00 C ATOM 0 H ILE C 148 18.149 -1.746 -25.217 1.00 0.00 H new ATOM 0 HA ILE C 148 17.352 -4.346 -23.929 1.00 0.00 H new ATOM 0 HB ILE C 148 18.248 -1.645 -22.818 1.00 0.00 H new ATOM 0 HG12 ILE C 148 19.940 -4.120 -23.487 1.00 0.00 H new ATOM 0 HG13 ILE C 148 19.927 -2.652 -24.443 1.00 0.00 H new ATOM 0 HG21 ILE C 148 18.927 -3.033 -20.854 1.00 0.00 H new ATOM 0 HG22 ILE C 148 17.187 -3.206 -21.186 1.00 0.00 H new ATOM 0 HG23 ILE C 148 18.318 -4.489 -21.677 1.00 0.00 H new ATOM 0 HD11 ILE C 148 21.826 -2.643 -22.851 1.00 0.00 H new ATOM 0 HD12 ILE C 148 20.679 -1.339 -22.463 1.00 0.00 H new ATOM 0 HD13 ILE C 148 20.692 -2.830 -21.492 1.00 0.00 H new ATOM 917 N ASP C 149 15.050 -3.708 -23.368 1.00 0.00 N ATOM 918 CA ASP C 149 13.597 -3.412 -23.146 1.00 0.00 C ATOM 919 C ASP C 149 13.328 -3.365 -21.652 1.00 0.00 C ATOM 920 O ASP C 149 14.203 -3.661 -20.858 1.00 0.00 O ATOM 921 CB ASP C 149 12.812 -4.580 -23.809 1.00 0.00 C ATOM 922 CG ASP C 149 13.029 -4.613 -25.334 1.00 0.00 C ATOM 923 OD1 ASP C 149 14.166 -4.595 -25.776 1.00 0.00 O ATOM 924 OD2 ASP C 149 12.076 -4.687 -26.037 1.00 0.00 O1- ATOM 0 H ASP C 149 15.285 -4.699 -23.315 1.00 0.00 H new ATOM 0 HA ASP C 149 13.297 -2.455 -23.573 1.00 0.00 H new ATOM 0 HB2 ASP C 149 13.132 -5.527 -23.375 1.00 0.00 H new ATOM 0 HB3 ASP C 149 11.749 -4.473 -23.594 1.00 0.00 H new ATOM 929 N TYR C 150 12.150 -2.943 -21.252 1.00 0.00 N ATOM 930 CA TYR C 150 11.836 -2.807 -19.773 1.00 0.00 C ATOM 931 C TYR C 150 12.096 -4.150 -19.047 1.00 0.00 C ATOM 932 O TYR C 150 12.789 -4.189 -18.032 1.00 0.00 O ATOM 933 CB TYR C 150 10.331 -2.473 -19.743 1.00 0.00 C ATOM 934 CG TYR C 150 9.870 -2.149 -18.340 1.00 0.00 C ATOM 935 CD1 TYR C 150 9.446 -3.175 -17.488 1.00 0.00 C ATOM 936 CD2 TYR C 150 9.870 -0.823 -17.893 1.00 0.00 C ATOM 937 CE1 TYR C 150 9.004 -2.874 -16.205 1.00 0.00 C ATOM 938 CE2 TYR C 150 9.423 -0.521 -16.605 1.00 0.00 C ATOM 939 CZ TYR C 150 8.996 -1.544 -15.755 1.00 0.00 C ATOM 940 OH TYR C 150 8.554 -1.233 -14.474 1.00 0.00 O ATOM 0 H TYR C 150 11.387 -2.685 -21.878 1.00 0.00 H new ATOM 0 HA TYR C 150 12.448 -2.053 -19.278 1.00 0.00 H new ATOM 0 HB2 TYR C 150 10.131 -1.626 -20.399 1.00 0.00 H new ATOM 0 HB3 TYR C 150 9.761 -3.317 -20.130 1.00 0.00 H new ATOM 0 HD1 TYR C 150 9.462 -4.200 -17.827 1.00 0.00 H new ATOM 0 HD2 TYR C 150 10.216 -0.033 -18.544 1.00 0.00 H new ATOM 0 HE1 TYR C 150 8.666 -3.665 -15.552 1.00 0.00 H new ATOM 0 HE2 TYR C 150 9.407 0.504 -16.266 1.00 0.00 H new ATOM 0 HH TYR C 150 9.310 -1.264 -13.851 1.00 0.00 H new ATOM 950 N ASP C 151 11.585 -5.248 -19.577 1.00 0.00 N ATOM 951 CA ASP C 151 11.829 -6.598 -18.930 1.00 0.00 C ATOM 952 C ASP C 151 13.321 -6.927 -18.954 1.00 0.00 C ATOM 953 O ASP C 151 13.893 -7.309 -17.950 1.00 0.00 O ATOM 954 CB ASP C 151 11.075 -7.616 -19.808 1.00 0.00 C ATOM 955 CG ASP C 151 9.579 -7.434 -19.663 1.00 0.00 C ATOM 956 OD1 ASP C 151 9.015 -8.016 -18.777 1.00 0.00 O ATOM 957 OD2 ASP C 151 9.012 -6.711 -20.442 1.00 0.00 O1- ATOM 0 H ASP C 151 11.014 -5.272 -20.422 1.00 0.00 H new ATOM 0 HA ASP C 151 11.494 -6.613 -17.893 1.00 0.00 H new ATOM 0 HB2 ASP C 151 11.363 -7.489 -20.852 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.354 -8.630 -19.521 1.00 0.00 H new ATOM 962 N GLU C 152 13.961 -6.722 -20.093 1.00 0.00 N ATOM 963 CA GLU C 152 15.444 -6.996 -20.222 1.00 0.00 C ATOM 964 C GLU C 152 16.189 -6.067 -19.248 1.00 0.00 C ATOM 965 O GLU C 152 17.156 -6.447 -18.625 1.00 0.00 O ATOM 966 CB GLU C 152 15.788 -6.594 -21.681 1.00 0.00 C ATOM 967 CG GLU C 152 14.966 -7.444 -22.696 1.00 0.00 C ATOM 968 CD GLU C 152 15.273 -7.062 -24.148 1.00 0.00 C ATOM 969 OE1 GLU C 152 15.924 -6.092 -24.397 1.00 0.00 O1- ATOM 970 OE2 GLU C 152 14.827 -7.714 -24.998 1.00 0.00 O ATOM 0 H GLU C 152 13.518 -6.375 -20.944 1.00 0.00 H new ATOM 0 HA GLU C 152 15.715 -8.029 -20.003 1.00 0.00 H new ATOM 0 HB2 GLU C 152 15.577 -5.535 -21.831 1.00 0.00 H new ATOM 0 HB3 GLU C 152 16.854 -6.735 -21.860 1.00 0.00 H new ATOM 0 HG2 GLU C 152 15.186 -8.501 -22.545 1.00 0.00 H new ATOM 0 HG3 GLU C 152 13.902 -7.309 -22.503 1.00 0.00 H new ATOM 977 N PHE C 153 15.725 -4.844 -19.111 1.00 0.00 N ATOM 978 CA PHE C 153 16.364 -3.887 -18.166 1.00 0.00 C ATOM 979 C PHE C 153 16.226 -4.429 -16.729 1.00 0.00 C ATOM 980 O PHE C 153 17.153 -4.346 -15.943 1.00 0.00 O ATOM 981 CB PHE C 153 15.581 -2.564 -18.341 1.00 0.00 C ATOM 982 CG PHE C 153 16.281 -1.427 -17.621 1.00 0.00 C ATOM 983 CD1 PHE C 153 17.412 -0.830 -18.192 1.00 0.00 C ATOM 984 CD2 PHE C 153 15.792 -0.964 -16.397 1.00 0.00 C ATOM 985 CE1 PHE C 153 18.050 0.226 -17.531 1.00 0.00 C ATOM 986 CE2 PHE C 153 16.429 0.091 -15.739 1.00 0.00 C ATOM 987 CZ PHE C 153 17.560 0.684 -16.305 1.00 0.00 C ATOM 0 H PHE C 153 14.924 -4.471 -19.621 1.00 0.00 H new ATOM 0 HA PHE C 153 17.427 -3.743 -18.357 1.00 0.00 H new ATOM 0 HB2 PHE C 153 15.489 -2.328 -19.401 1.00 0.00 H new ATOM 0 HB3 PHE C 153 14.570 -2.680 -17.951 1.00 0.00 H new ATOM 0 HD1 PHE C 153 17.791 -1.183 -19.140 1.00 0.00 H new ATOM 0 HD2 PHE C 153 14.919 -1.423 -15.958 1.00 0.00 H new ATOM 0 HE1 PHE C 153 18.922 0.688 -17.969 1.00 0.00 H new ATOM 0 HE2 PHE C 153 16.047 0.448 -14.794 1.00 0.00 H new ATOM 0 HZ PHE C 153 18.056 1.497 -15.795 1.00 0.00 H new ATOM 997 N LEU C 154 15.055 -4.950 -16.377 1.00 0.00 N ATOM 998 CA LEU C 154 14.827 -5.460 -14.971 1.00 0.00 C ATOM 999 C LEU C 154 15.818 -6.572 -14.616 1.00 0.00 C ATOM 1000 O LEU C 154 16.415 -6.549 -13.547 1.00 0.00 O ATOM 1001 CB LEU C 154 13.391 -6.020 -14.973 1.00 0.00 C ATOM 1002 CG LEU C 154 12.965 -6.372 -13.537 1.00 0.00 C ATOM 1003 CD1 LEU C 154 12.538 -5.104 -12.799 1.00 0.00 C ATOM 1004 CD2 LEU C 154 11.795 -7.350 -13.571 1.00 0.00 C ATOM 0 H LEU C 154 14.254 -5.042 -17.002 1.00 0.00 H new ATOM 0 HA LEU C 154 14.968 -4.668 -14.235 1.00 0.00 H new ATOM 0 HB2 LEU C 154 12.705 -5.285 -15.395 1.00 0.00 H new ATOM 0 HB3 LEU C 154 13.338 -6.906 -15.605 1.00 0.00 H new ATOM 0 HG LEU C 154 13.808 -6.829 -13.019 1.00 0.00 H new ATOM 0 HD11 LEU C 154 12.237 -5.358 -11.783 1.00 0.00 H new ATOM 0 HD12 LEU C 154 13.373 -4.404 -12.766 1.00 0.00 H new ATOM 0 HD13 LEU C 154 11.699 -4.644 -13.321 1.00 0.00 H new ATOM 0 HD21 LEU C 154 11.497 -7.596 -12.552 1.00 0.00 H new ATOM 0 HD22 LEU C 154 10.955 -6.894 -14.095 1.00 0.00 H new ATOM 0 HD23 LEU C 154 12.096 -8.260 -14.091 1.00 0.00 H new ATOM 1016 N GLU C 155 16.021 -7.530 -15.487 1.00 0.00 N ATOM 1017 CA GLU C 155 17.017 -8.606 -15.161 1.00 0.00 C ATOM 1018 C GLU C 155 18.452 -8.062 -15.348 1.00 0.00 C ATOM 1019 O GLU C 155 19.323 -8.328 -14.556 1.00 0.00 O ATOM 1020 CB GLU C 155 16.708 -9.817 -16.081 1.00 0.00 C ATOM 1021 CG GLU C 155 16.638 -9.409 -17.560 1.00 0.00 C ATOM 1022 CD GLU C 155 17.676 -10.180 -18.325 1.00 0.00 C ATOM 1023 OE1 GLU C 155 17.464 -11.342 -18.550 1.00 0.00 O ATOM 1024 OE2 GLU C 155 18.684 -9.601 -18.668 1.00 0.00 O1- ATOM 0 H GLU C 155 15.554 -7.617 -16.390 1.00 0.00 H new ATOM 0 HA GLU C 155 16.943 -8.927 -14.122 1.00 0.00 H new ATOM 0 HB2 GLU C 155 17.477 -10.578 -15.950 1.00 0.00 H new ATOM 0 HB3 GLU C 155 15.761 -10.267 -15.783 1.00 0.00 H new ATOM 0 HG2 GLU C 155 15.645 -9.613 -17.961 1.00 0.00 H new ATOM 0 HG3 GLU C 155 16.810 -8.338 -17.665 1.00 0.00 H new ATOM 1031 N PHE C 156 18.679 -7.260 -16.358 1.00 0.00 N ATOM 1032 CA PHE C 156 20.044 -6.663 -16.580 1.00 0.00 C ATOM 1033 C PHE C 156 20.449 -5.779 -15.389 1.00 0.00 C ATOM 1034 O PHE C 156 21.572 -5.842 -14.933 1.00 0.00 O ATOM 1035 CB PHE C 156 19.897 -5.843 -17.868 1.00 0.00 C ATOM 1036 CG PHE C 156 21.213 -5.233 -18.293 1.00 0.00 C ATOM 1037 CD1 PHE C 156 22.205 -6.029 -18.877 1.00 0.00 C ATOM 1038 CD2 PHE C 156 21.427 -3.863 -18.123 1.00 0.00 C ATOM 1039 CE1 PHE C 156 23.404 -5.452 -19.297 1.00 0.00 C ATOM 1040 CE2 PHE C 156 22.627 -3.286 -18.540 1.00 0.00 C ATOM 1041 CZ PHE C 156 23.621 -4.081 -19.124 1.00 0.00 C ATOM 0 H PHE C 156 17.977 -6.988 -17.046 1.00 0.00 H new ATOM 0 HA PHE C 156 20.826 -7.418 -16.667 1.00 0.00 H new ATOM 0 HB2 PHE C 156 19.517 -6.482 -18.665 1.00 0.00 H new ATOM 0 HB3 PHE C 156 19.162 -5.053 -17.715 1.00 0.00 H new ATOM 0 HD1 PHE C 156 22.043 -7.089 -19.003 1.00 0.00 H new ATOM 0 HD2 PHE C 156 20.663 -3.250 -17.668 1.00 0.00 H new ATOM 0 HE1 PHE C 156 24.166 -6.065 -19.756 1.00 0.00 H new ATOM 0 HE2 PHE C 156 22.789 -2.226 -18.412 1.00 0.00 H new ATOM 0 HZ PHE C 156 24.553 -3.637 -19.440 1.00 0.00 H new ATOM 1051 N MET C 157 19.548 -4.951 -14.877 1.00 0.00 N ATOM 1052 CA MET C 157 19.933 -4.064 -13.714 1.00 0.00 C ATOM 1053 C MET C 157 20.373 -4.899 -12.491 1.00 0.00 C ATOM 1054 O MET C 157 21.171 -4.444 -11.686 1.00 0.00 O ATOM 1055 CB MET C 157 18.719 -3.145 -13.390 1.00 0.00 C ATOM 1056 CG MET C 157 17.521 -3.945 -12.847 1.00 0.00 C ATOM 1057 SD MET C 157 16.960 -3.191 -11.283 1.00 0.00 S ATOM 1058 CE MET C 157 15.418 -4.126 -11.075 1.00 0.00 C ATOM 0 H MET C 157 18.587 -4.853 -15.205 1.00 0.00 H new ATOM 0 HA MET C 157 20.793 -3.449 -13.979 1.00 0.00 H new ATOM 0 HB2 MET C 157 19.017 -2.395 -12.657 1.00 0.00 H new ATOM 0 HB3 MET C 157 18.419 -2.609 -14.290 1.00 0.00 H new ATOM 0 HG2 MET C 157 16.710 -3.948 -13.575 1.00 0.00 H new ATOM 0 HG3 MET C 157 17.806 -4.984 -12.683 1.00 0.00 H new ATOM 0 HE1 MET C 157 14.574 -3.436 -11.055 1.00 0.00 H new ATOM 0 HE2 MET C 157 15.299 -4.821 -11.906 1.00 0.00 H new ATOM 0 HE3 MET C 157 15.454 -4.683 -10.139 1.00 0.00 H new