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 118 LYS NZ :NH3+ -158:sc= 1.02 (180deg=-0.136) USER MOD Set 1.2: C 122 GLN : amide:sc= -3.15 K(o=-2.1,f=-7.3!) USER MOD Single : C 98 SER OG : rot -17:sc= 0.198 USER MOD Single : C 103 MET CE :methyl -158:sc= -0.0421 (180deg=-0.38) USER MOD Single : C 106 LYS NZ :NH3+ 166:sc= 2.11 (180deg=1.6) USER MOD Single : C 107 ASN : amide:sc= -0.0782 X(o=-0.078,f=-0.13) USER MOD Single : C 111 TYR OH : rot -116:sc= 1.22 USER MOD Single : C 120 MET CE :methyl -149:sc= -0.21 (180deg=-1.45!) USER MOD Single : C 124 THR OG1 : rot 28:sc= -0.167 USER MOD Single : C 127 THR OG1 : rot 180:sc= -0.742 USER MOD Single : C 129 THR OG1 : rot 96:sc= 1.41 USER MOD Single : C 137 MET CE :methyl 155:sc= -1.95! (180deg=-4.33!) USER MOD Single : C 138 LYS NZ :NH3+ 151:sc= 2.2 (180deg=-0.54) USER MOD Single : C 142 LYS NZ :NH3+ -157:sc= 1.88 (180deg=-1.63!) USER MOD Single : C 143 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.2) USER MOD Single : C 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 150 TYR OH : rot 180:sc= -1.59 USER MOD Single : C 157 MET CE :methyl -112:sc= -0.057 (180deg=-0.411) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 8.892 -3.750 -8.619 1.00 0.00 N ATOM 61 CA GLU C 94 8.704 -3.202 -10.005 1.00 0.00 C ATOM 62 C GLU C 94 8.502 -1.676 -9.975 1.00 0.00 C ATOM 63 O GLU C 94 8.866 -0.972 -10.913 1.00 0.00 O ATOM 64 CB GLU C 94 7.466 -3.919 -10.585 1.00 0.00 C ATOM 65 CG GLU C 94 7.776 -5.434 -10.811 1.00 0.00 C ATOM 66 CD GLU C 94 7.627 -6.260 -9.524 1.00 0.00 C ATOM 67 OE1 GLU C 94 6.962 -5.806 -8.595 1.00 0.00 O1- ATOM 68 OE2 GLU C 94 8.194 -7.316 -9.474 1.00 0.00 O ATOM 0 HA GLU C 94 9.585 -3.378 -10.622 1.00 0.00 H new ATOM 0 HB2 GLU C 94 6.622 -3.811 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU C 94 7.177 -3.455 -11.528 1.00 0.00 H new ATOM 0 HG2 GLU C 94 7.105 -5.830 -11.573 1.00 0.00 H new ATOM 0 HG3 GLU C 94 8.791 -5.541 -11.193 1.00 0.00 H new ATOM 75 N GLU C 95 7.895 -1.163 -8.934 1.00 0.00 N ATOM 76 CA GLU C 95 7.630 0.315 -8.850 1.00 0.00 C ATOM 77 C GLU C 95 8.961 1.109 -8.821 1.00 0.00 C ATOM 78 O GLU C 95 9.097 2.091 -9.533 1.00 0.00 O ATOM 79 CB GLU C 95 6.834 0.474 -7.553 1.00 0.00 C ATOM 80 CG GLU C 95 5.475 -0.238 -7.724 1.00 0.00 C ATOM 81 CD GLU C 95 4.711 -0.197 -6.440 1.00 0.00 C ATOM 82 OE1 GLU C 95 3.985 0.736 -6.224 1.00 0.00 O1- ATOM 83 OE2 GLU C 95 4.848 -1.124 -5.677 1.00 0.00 O ATOM 0 H GLU C 95 7.568 -1.703 -8.133 1.00 0.00 H new ATOM 0 HA GLU C 95 7.084 0.704 -9.710 1.00 0.00 H new ATOM 0 HB2 GLU C 95 7.384 0.045 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU C 95 6.683 1.530 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU C 95 4.900 0.244 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU C 95 5.633 -1.272 -8.030 1.00 0.00 H new ATOM 90 N GLU C 96 9.982 0.632 -8.110 1.00 0.00 N ATOM 91 CA GLU C 96 11.320 1.325 -8.214 1.00 0.00 C ATOM 92 C GLU C 96 11.933 1.024 -9.600 1.00 0.00 C ATOM 93 O GLU C 96 12.500 1.894 -10.248 1.00 0.00 O ATOM 94 CB GLU C 96 12.225 0.758 -7.106 1.00 0.00 C ATOM 95 CG GLU C 96 11.727 1.204 -5.707 1.00 0.00 C ATOM 96 CD GLU C 96 12.737 0.806 -4.616 1.00 0.00 C ATOM 97 OE1 GLU C 96 13.771 0.265 -4.926 1.00 0.00 O ATOM 98 OE2 GLU C 96 12.458 1.051 -3.471 1.00 0.00 O1- ATOM 0 H GLU C 96 9.946 -0.175 -7.488 1.00 0.00 H new ATOM 0 HA GLU C 96 11.216 2.404 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU C 96 12.238 -0.330 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU C 96 13.250 1.098 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU C 96 11.579 2.284 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU C 96 10.760 0.748 -5.498 1.00 0.00 H new ATOM 105 N LEU C 97 11.805 -0.216 -10.067 1.00 0.00 N ATOM 106 CA LEU C 97 12.373 -0.584 -11.415 1.00 0.00 C ATOM 107 C LEU C 97 11.750 0.281 -12.502 1.00 0.00 C ATOM 108 O LEU C 97 12.440 0.768 -13.387 1.00 0.00 O ATOM 109 CB LEU C 97 11.960 -2.054 -11.655 1.00 0.00 C ATOM 110 CG LEU C 97 12.496 -2.526 -13.024 1.00 0.00 C ATOM 111 CD1 LEU C 97 13.925 -3.013 -12.891 1.00 0.00 C ATOM 112 CD2 LEU C 97 11.616 -3.648 -13.576 1.00 0.00 C ATOM 0 H LEU C 97 11.336 -0.976 -9.574 1.00 0.00 H new ATOM 0 HA LEU C 97 13.453 -0.441 -11.440 1.00 0.00 H new ATOM 0 HB2 LEU C 97 12.355 -2.687 -10.861 1.00 0.00 H new ATOM 0 HB3 LEU C 97 10.874 -2.146 -11.627 1.00 0.00 H new ATOM 0 HG LEU C 97 12.473 -1.683 -13.714 1.00 0.00 H new ATOM 0 HD11 LEU C 97 14.289 -3.342 -13.864 1.00 0.00 H new ATOM 0 HD12 LEU C 97 14.553 -2.201 -12.524 1.00 0.00 H new ATOM 0 HD13 LEU C 97 13.962 -3.846 -12.189 1.00 0.00 H new ATOM 0 HD21 LEU C 97 12.004 -3.973 -14.542 1.00 0.00 H new ATOM 0 HD22 LEU C 97 11.620 -4.489 -12.882 1.00 0.00 H new ATOM 0 HD23 LEU C 97 10.596 -3.284 -13.698 1.00 0.00 H new ATOM 124 N SER C 98 10.449 0.445 -12.474 1.00 0.00 N ATOM 125 CA SER C 98 9.797 1.254 -13.535 1.00 0.00 C ATOM 126 C SER C 98 10.258 2.715 -13.442 1.00 0.00 C ATOM 127 O SER C 98 10.546 3.341 -14.460 1.00 0.00 O ATOM 128 CB SER C 98 8.278 1.079 -13.340 1.00 0.00 C ATOM 129 OG SER C 98 7.884 1.513 -12.039 1.00 0.00 O ATOM 0 H SER C 98 9.822 0.057 -11.769 1.00 0.00 H new ATOM 0 HA SER C 98 10.071 0.927 -14.538 1.00 0.00 H new ATOM 0 HB2 SER C 98 7.741 1.650 -14.098 1.00 0.00 H new ATOM 0 HB3 SER C 98 8.007 0.032 -13.477 1.00 0.00 H new ATOM 0 HG SER C 98 8.674 1.578 -11.463 1.00 0.00 H new ATOM 135 N ASP C 99 10.439 3.229 -12.234 1.00 0.00 N ATOM 136 CA ASP C 99 10.987 4.620 -12.081 1.00 0.00 C ATOM 137 C ASP C 99 12.390 4.661 -12.680 1.00 0.00 C ATOM 138 O ASP C 99 12.709 5.519 -13.500 1.00 0.00 O ATOM 139 CB ASP C 99 11.079 4.853 -10.554 1.00 0.00 C ATOM 140 CG ASP C 99 10.923 6.332 -10.203 1.00 0.00 C ATOM 141 OD1 ASP C 99 11.063 7.176 -11.068 1.00 0.00 O1- ATOM 142 OD2 ASP C 99 10.626 6.604 -9.073 1.00 0.00 O ATOM 0 H ASP C 99 10.232 2.746 -11.360 1.00 0.00 H new ATOM 0 HA ASP C 99 10.371 5.371 -12.575 1.00 0.00 H new ATOM 0 HB2 ASP C 99 10.305 4.275 -10.049 1.00 0.00 H new ATOM 0 HB3 ASP C 99 12.039 4.490 -10.187 1.00 0.00 H new ATOM 147 N LEU C 100 13.211 3.686 -12.331 1.00 0.00 N ATOM 148 CA LEU C 100 14.593 3.614 -12.894 1.00 0.00 C ATOM 149 C LEU C 100 14.518 3.482 -14.424 1.00 0.00 C ATOM 150 O LEU C 100 15.255 4.138 -15.139 1.00 0.00 O ATOM 151 CB LEU C 100 15.204 2.341 -12.269 1.00 0.00 C ATOM 152 CG LEU C 100 16.704 2.240 -12.606 1.00 0.00 C ATOM 153 CD1 LEU C 100 17.474 3.326 -11.850 1.00 0.00 C ATOM 154 CD2 LEU C 100 17.227 0.869 -12.177 1.00 0.00 C ATOM 0 H LEU C 100 12.975 2.939 -11.678 1.00 0.00 H new ATOM 0 HA LEU C 100 15.188 4.501 -12.674 1.00 0.00 H new ATOM 0 HB2 LEU C 100 15.069 2.359 -11.188 1.00 0.00 H new ATOM 0 HB3 LEU C 100 14.682 1.460 -12.641 1.00 0.00 H new ATOM 0 HG LEU C 100 16.843 2.372 -13.679 1.00 0.00 H new ATOM 0 HD11 LEU C 100 18.535 3.253 -12.089 1.00 0.00 H new ATOM 0 HD12 LEU C 100 17.102 4.307 -12.144 1.00 0.00 H new ATOM 0 HD13 LEU C 100 17.334 3.192 -10.777 1.00 0.00 H new ATOM 0 HD21 LEU C 100 18.288 0.794 -12.414 1.00 0.00 H new ATOM 0 HD22 LEU C 100 17.085 0.745 -11.103 1.00 0.00 H new ATOM 0 HD23 LEU C 100 16.681 0.089 -12.707 1.00 0.00 H new ATOM 166 N PHE C 101 13.612 2.662 -14.935 1.00 0.00 N ATOM 167 CA PHE C 101 13.492 2.504 -16.433 1.00 0.00 C ATOM 168 C PHE C 101 13.145 3.854 -17.071 1.00 0.00 C ATOM 169 O PHE C 101 13.758 4.251 -18.054 1.00 0.00 O ATOM 170 CB PHE C 101 12.359 1.481 -16.665 1.00 0.00 C ATOM 171 CG PHE C 101 12.311 1.090 -18.137 1.00 0.00 C ATOM 172 CD1 PHE C 101 13.256 0.195 -18.645 1.00 0.00 C ATOM 173 CD2 PHE C 101 11.316 1.607 -18.980 1.00 0.00 C ATOM 174 CE1 PHE C 101 13.215 -0.184 -19.995 1.00 0.00 C ATOM 175 CE2 PHE C 101 11.280 1.226 -20.332 1.00 0.00 C ATOM 176 CZ PHE C 101 12.228 0.332 -20.833 1.00 0.00 C ATOM 0 H PHE C 101 12.959 2.103 -14.386 1.00 0.00 H new ATOM 0 HA PHE C 101 14.424 2.162 -16.883 1.00 0.00 H new ATOM 0 HB2 PHE C 101 12.523 0.597 -16.049 1.00 0.00 H new ATOM 0 HB3 PHE C 101 11.403 1.908 -16.361 1.00 0.00 H new ATOM 0 HD1 PHE C 101 14.020 -0.206 -17.996 1.00 0.00 H new ATOM 0 HD2 PHE C 101 10.580 2.295 -18.591 1.00 0.00 H new ATOM 0 HE1 PHE C 101 13.948 -0.875 -20.385 1.00 0.00 H new ATOM 0 HE2 PHE C 101 10.518 1.625 -20.985 1.00 0.00 H new ATOM 0 HZ PHE C 101 12.197 0.040 -21.872 1.00 0.00 H new ATOM 186 N ARG C 102 12.203 4.599 -16.490 1.00 0.00 N ATOM 187 CA ARG C 102 11.879 5.960 -17.068 1.00 0.00 C ATOM 188 C ARG C 102 13.138 6.831 -17.050 1.00 0.00 C ATOM 189 O ARG C 102 13.440 7.507 -18.013 1.00 0.00 O ATOM 190 CB ARG C 102 10.815 6.593 -16.152 1.00 0.00 C ATOM 191 CG ARG C 102 9.490 5.802 -16.219 1.00 0.00 C ATOM 192 CD ARG C 102 8.365 6.550 -15.447 1.00 0.00 C ATOM 193 NE ARG C 102 8.881 6.743 -14.036 1.00 0.00 N ATOM 194 CZ ARG C 102 8.103 7.260 -13.073 1.00 0.00 C ATOM 195 NH1 ARG C 102 6.797 7.367 -13.250 1.00 0.00 N ATOM 196 NH2 ARG C 102 8.638 7.656 -11.948 1.00 0.00 N1+ ATOM 0 H ARG C 102 11.664 4.330 -15.667 1.00 0.00 H new ATOM 0 HA ARG C 102 11.520 5.876 -18.094 1.00 0.00 H new ATOM 0 HB2 ARG C 102 11.179 6.614 -15.125 1.00 0.00 H new ATOM 0 HB3 ARG C 102 10.641 7.627 -16.450 1.00 0.00 H new ATOM 0 HG2 ARG C 102 9.195 5.664 -17.259 1.00 0.00 H new ATOM 0 HG3 ARG C 102 9.632 4.808 -15.794 1.00 0.00 H new ATOM 0 HD2 ARG C 102 8.142 7.509 -15.915 1.00 0.00 H new ATOM 0 HD3 ARG C 102 7.441 5.972 -15.448 1.00 0.00 H new ATOM 0 HE ARG C 102 9.840 6.474 -13.813 1.00 0.00 H new ATOM 0 HH11 ARG C 102 6.374 7.055 -14.124 1.00 0.00 H new ATOM 0 HH12 ARG C 102 6.213 7.761 -12.513 1.00 0.00 H new ATOM 0 HH21 ARG C 102 9.644 7.572 -11.804 1.00 0.00 H new ATOM 0 HH22 ARG C 102 8.049 8.050 -11.214 1.00 0.00 H new ATOM 210 N MET C 103 13.910 6.775 -15.974 1.00 0.00 N ATOM 211 CA MET C 103 15.187 7.564 -15.919 1.00 0.00 C ATOM 212 C MET C 103 16.156 7.052 -17.003 1.00 0.00 C ATOM 213 O MET C 103 16.861 7.836 -17.640 1.00 0.00 O ATOM 214 CB MET C 103 15.729 7.391 -14.453 1.00 0.00 C ATOM 215 CG MET C 103 17.050 6.599 -14.393 1.00 0.00 C ATOM 216 SD MET C 103 18.430 7.678 -14.856 1.00 0.00 S ATOM 217 CE MET C 103 19.759 6.625 -14.228 1.00 0.00 C ATOM 0 H MET C 103 13.708 6.220 -15.142 1.00 0.00 H new ATOM 0 HA MET C 103 15.052 8.625 -16.130 1.00 0.00 H new ATOM 0 HB2 MET C 103 15.880 8.375 -14.008 1.00 0.00 H new ATOM 0 HB3 MET C 103 14.977 6.881 -13.851 1.00 0.00 H new ATOM 0 HG2 MET C 103 17.204 6.206 -13.388 1.00 0.00 H new ATOM 0 HG3 MET C 103 17.003 5.743 -15.066 1.00 0.00 H new ATOM 0 HE1 MET C 103 20.647 7.230 -14.046 1.00 0.00 H new ATOM 0 HE2 MET C 103 19.442 6.156 -13.296 1.00 0.00 H new ATOM 0 HE3 MET C 103 19.989 5.853 -14.962 1.00 0.00 H new ATOM 227 N PHE C 104 16.177 5.758 -17.246 1.00 0.00 N ATOM 228 CA PHE C 104 17.069 5.210 -18.318 1.00 0.00 C ATOM 229 C PHE C 104 16.602 5.666 -19.710 1.00 0.00 C ATOM 230 O PHE C 104 17.412 6.151 -20.511 1.00 0.00 O ATOM 231 CB PHE C 104 17.012 3.677 -18.190 1.00 0.00 C ATOM 232 CG PHE C 104 18.182 3.191 -17.352 1.00 0.00 C ATOM 233 CD1 PHE C 104 18.081 3.126 -15.958 1.00 0.00 C ATOM 234 CD2 PHE C 104 19.373 2.808 -17.979 1.00 0.00 C ATOM 235 CE1 PHE C 104 19.163 2.678 -15.193 1.00 0.00 C ATOM 236 CE2 PHE C 104 20.456 2.360 -17.214 1.00 0.00 C ATOM 237 CZ PHE C 104 20.350 2.296 -15.820 1.00 0.00 C ATOM 0 H PHE C 104 15.618 5.064 -16.750 1.00 0.00 H new ATOM 0 HA PHE C 104 18.090 5.574 -18.202 1.00 0.00 H new ATOM 0 HB2 PHE C 104 16.071 3.375 -17.729 1.00 0.00 H new ATOM 0 HB3 PHE C 104 17.044 3.218 -19.178 1.00 0.00 H new ATOM 0 HD1 PHE C 104 17.164 3.423 -15.471 1.00 0.00 H new ATOM 0 HD2 PHE C 104 19.457 2.858 -19.055 1.00 0.00 H new ATOM 0 HE1 PHE C 104 19.080 2.628 -14.117 1.00 0.00 H new ATOM 0 HE2 PHE C 104 21.374 2.064 -17.700 1.00 0.00 H new ATOM 0 HZ PHE C 104 21.186 1.951 -15.230 1.00 0.00 H new ATOM 247 N ASP C 105 15.324 5.590 -20.014 1.00 0.00 N ATOM 248 CA ASP C 105 14.859 6.042 -21.387 1.00 0.00 C ATOM 249 C ASP C 105 14.928 7.576 -21.509 1.00 0.00 C ATOM 250 O ASP C 105 14.731 8.303 -20.546 1.00 0.00 O ATOM 251 CB ASP C 105 13.408 5.568 -21.565 1.00 0.00 C ATOM 252 CG ASP C 105 13.017 5.728 -23.021 1.00 0.00 C ATOM 253 OD1 ASP C 105 12.668 6.780 -23.411 1.00 0.00 O1- ATOM 254 OD2 ASP C 105 13.155 4.782 -23.757 1.00 0.00 O ATOM 0 H ASP C 105 14.592 5.245 -19.393 1.00 0.00 H new ATOM 0 HA ASP C 105 15.503 5.619 -22.157 1.00 0.00 H new ATOM 0 HB2 ASP C 105 13.311 4.526 -21.261 1.00 0.00 H new ATOM 0 HB3 ASP C 105 12.740 6.149 -20.929 1.00 0.00 H new ATOM 259 N LYS C 106 15.287 8.071 -22.659 1.00 0.00 N ATOM 260 CA LYS C 106 15.390 9.556 -22.866 1.00 0.00 C ATOM 261 C LYS C 106 14.402 10.038 -23.946 1.00 0.00 C ATOM 262 O LYS C 106 13.858 11.111 -23.839 1.00 0.00 O ATOM 263 CB LYS C 106 16.841 9.805 -23.316 1.00 0.00 C ATOM 264 CG LYS C 106 17.595 10.578 -22.217 1.00 0.00 C ATOM 265 CD LYS C 106 18.701 9.708 -21.593 1.00 0.00 C ATOM 266 CE LYS C 106 18.493 9.622 -20.067 1.00 0.00 C ATOM 267 NZ LYS C 106 17.346 8.688 -19.892 1.00 0.00 N1+ ATOM 0 H LYS C 106 15.518 7.510 -23.479 1.00 0.00 H new ATOM 0 HA LYS C 106 15.142 10.102 -21.956 1.00 0.00 H new ATOM 0 HB2 LYS C 106 17.339 8.856 -23.515 1.00 0.00 H new ATOM 0 HB3 LYS C 106 16.852 10.372 -24.247 1.00 0.00 H new ATOM 0 HG2 LYS C 106 18.033 11.483 -22.639 1.00 0.00 H new ATOM 0 HG3 LYS C 106 16.895 10.893 -21.443 1.00 0.00 H new ATOM 0 HD2 LYS C 106 18.682 8.709 -22.030 1.00 0.00 H new ATOM 0 HD3 LYS C 106 19.680 10.133 -21.813 1.00 0.00 H new ATOM 0 HE2 LYS C 106 19.387 9.249 -19.566 1.00 0.00 H new ATOM 0 HE3 LYS C 106 18.274 10.601 -19.642 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 17.290 8.390 -18.897 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 16.463 9.168 -20.160 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 17.483 7.853 -20.496 1.00 0.00 H new ATOM 281 N ASN C 107 14.224 9.284 -25.011 1.00 0.00 N ATOM 282 CA ASN C 107 13.323 9.754 -26.142 1.00 0.00 C ATOM 283 C ASN C 107 11.839 9.387 -25.894 1.00 0.00 C ATOM 284 O ASN C 107 11.032 9.467 -26.807 1.00 0.00 O ATOM 285 CB ASN C 107 13.832 9.021 -27.395 1.00 0.00 C ATOM 286 CG ASN C 107 13.472 9.824 -28.652 1.00 0.00 C ATOM 287 OD1 ASN C 107 14.283 10.566 -29.157 1.00 0.00 O ATOM 288 ND2 ASN C 107 12.287 9.732 -29.165 1.00 0.00 N ATOM 0 H ASN C 107 14.655 8.371 -25.154 1.00 0.00 H new ATOM 0 HA ASN C 107 13.360 10.839 -26.237 1.00 0.00 H new ATOM 0 HB2 ASN C 107 14.912 8.887 -27.335 1.00 0.00 H new ATOM 0 HB3 ASN C 107 13.390 8.026 -27.450 1.00 0.00 H new ATOM 0 HD21 ASN C 107 12.044 10.283 -29.988 1.00 0.00 H new ATOM 0 HD22 ASN C 107 11.597 9.109 -28.746 1.00 0.00 H new ATOM 295 N ALA C 108 11.501 8.839 -24.729 1.00 0.00 N ATOM 296 CA ALA C 108 10.101 8.302 -24.464 1.00 0.00 C ATOM 297 C ALA C 108 9.787 7.146 -25.456 1.00 0.00 C ATOM 298 O ALA C 108 8.644 6.752 -25.618 1.00 0.00 O ATOM 299 CB ALA C 108 9.130 9.481 -24.666 1.00 0.00 C ATOM 0 H ALA C 108 12.143 8.740 -23.942 1.00 0.00 H new ATOM 0 HA ALA C 108 10.008 7.901 -23.455 1.00 0.00 H new ATOM 0 HB1 ALA C 108 8.108 9.146 -24.487 1.00 0.00 H new ATOM 0 HB2 ALA C 108 9.378 10.280 -23.967 1.00 0.00 H new ATOM 0 HB3 ALA C 108 9.216 9.852 -25.687 1.00 0.00 H new ATOM 305 N ASP C 109 10.803 6.578 -26.084 1.00 0.00 N ATOM 306 CA ASP C 109 10.603 5.422 -27.033 1.00 0.00 C ATOM 307 C ASP C 109 10.131 4.160 -26.285 1.00 0.00 C ATOM 308 O ASP C 109 9.451 3.332 -26.851 1.00 0.00 O ATOM 309 CB ASP C 109 11.958 5.205 -27.771 1.00 0.00 C ATOM 310 CG ASP C 109 13.077 4.957 -26.799 1.00 0.00 C ATOM 311 OD1 ASP C 109 13.648 5.868 -26.318 1.00 0.00 O1- ATOM 312 OD2 ASP C 109 13.360 3.871 -26.498 1.00 0.00 O ATOM 0 H ASP C 109 11.774 6.871 -25.977 1.00 0.00 H new ATOM 0 HA ASP C 109 9.817 5.639 -27.756 1.00 0.00 H new ATOM 0 HB2 ASP C 109 11.872 4.359 -28.453 1.00 0.00 H new ATOM 0 HB3 ASP C 109 12.188 6.081 -28.378 1.00 0.00 H new ATOM 317 N GLY C 110 10.474 4.004 -25.023 1.00 0.00 N ATOM 318 CA GLY C 110 10.017 2.786 -24.253 1.00 0.00 C ATOM 319 C GLY C 110 11.128 1.729 -24.181 1.00 0.00 C ATOM 320 O GLY C 110 10.968 0.713 -23.533 1.00 0.00 O ATOM 0 H GLY C 110 11.047 4.660 -24.492 1.00 0.00 H new ATOM 0 HA2 GLY C 110 9.723 3.078 -23.245 1.00 0.00 H new ATOM 0 HA3 GLY C 110 9.135 2.359 -24.731 1.00 0.00 H new ATOM 324 N TYR C 111 12.245 1.955 -24.830 1.00 0.00 N ATOM 325 CA TYR C 111 13.398 0.990 -24.788 1.00 0.00 C ATOM 326 C TYR C 111 14.655 1.742 -24.401 1.00 0.00 C ATOM 327 O TYR C 111 14.733 2.959 -24.558 1.00 0.00 O ATOM 328 CB TYR C 111 13.549 0.466 -26.229 1.00 0.00 C ATOM 329 CG TYR C 111 12.476 -0.543 -26.501 1.00 0.00 C ATOM 330 CD1 TYR C 111 11.211 -0.130 -26.929 1.00 0.00 C ATOM 331 CD2 TYR C 111 12.744 -1.896 -26.310 1.00 0.00 C ATOM 332 CE1 TYR C 111 10.212 -1.075 -27.152 1.00 0.00 C ATOM 333 CE2 TYR C 111 11.753 -2.835 -26.525 1.00 0.00 C ATOM 334 CZ TYR C 111 10.482 -2.429 -26.954 1.00 0.00 C ATOM 335 OH TYR C 111 9.486 -3.363 -27.142 1.00 0.00 O ATOM 0 H TYR C 111 12.413 2.784 -25.400 1.00 0.00 H new ATOM 0 HA TYR C 111 13.235 0.184 -24.073 1.00 0.00 H new ATOM 0 HB2 TYR C 111 13.477 1.291 -26.938 1.00 0.00 H new ATOM 0 HB3 TYR C 111 14.532 0.015 -26.363 1.00 0.00 H new ATOM 0 HD1 TYR C 111 11.009 0.919 -27.086 1.00 0.00 H new ATOM 0 HD2 TYR C 111 13.727 -2.212 -25.994 1.00 0.00 H new ATOM 0 HE1 TYR C 111 9.231 -0.760 -27.477 1.00 0.00 H new ATOM 0 HE2 TYR C 111 11.958 -3.883 -26.362 1.00 0.00 H new ATOM 0 HH TYR C 111 9.294 -3.812 -26.292 1.00 0.00 H new ATOM 345 N ILE C 112 15.658 1.074 -23.968 1.00 0.00 N ATOM 346 CA ILE C 112 16.928 1.796 -23.679 1.00 0.00 C ATOM 347 C ILE C 112 17.906 1.427 -24.796 1.00 0.00 C ATOM 348 O ILE C 112 18.084 0.249 -25.118 1.00 0.00 O ATOM 349 CB ILE C 112 17.410 1.274 -22.307 1.00 0.00 C ATOM 350 CG1 ILE C 112 16.296 1.449 -21.261 1.00 0.00 C ATOM 351 CG2 ILE C 112 18.638 2.075 -21.849 1.00 0.00 C ATOM 352 CD1 ILE C 112 16.722 0.797 -19.954 1.00 0.00 C ATOM 0 H ILE C 112 15.670 0.068 -23.798 1.00 0.00 H new ATOM 0 HA ILE C 112 16.828 2.881 -23.642 1.00 0.00 H new ATOM 0 HB ILE C 112 17.667 0.219 -22.405 1.00 0.00 H new ATOM 0 HG12 ILE C 112 16.094 2.508 -21.103 1.00 0.00 H new ATOM 0 HG13 ILE C 112 15.371 0.998 -21.620 1.00 0.00 H new ATOM 0 HG21 ILE C 112 18.974 1.703 -20.881 1.00 0.00 H new ATOM 0 HG22 ILE C 112 19.439 1.962 -22.579 1.00 0.00 H new ATOM 0 HG23 ILE C 112 18.373 3.129 -21.761 1.00 0.00 H new ATOM 0 HD11 ILE C 112 15.933 0.920 -19.212 1.00 0.00 H new ATOM 0 HD12 ILE C 112 16.902 -0.265 -20.119 1.00 0.00 H new ATOM 0 HD13 ILE C 112 17.636 1.268 -19.593 1.00 0.00 H new ATOM 364 N ASP C 113 18.480 2.422 -25.421 1.00 0.00 N ATOM 365 CA ASP C 113 19.445 2.200 -26.544 1.00 0.00 C ATOM 366 C ASP C 113 20.841 2.615 -26.063 1.00 0.00 C ATOM 367 O ASP C 113 20.987 3.189 -24.970 1.00 0.00 O ATOM 368 CB ASP C 113 18.974 3.141 -27.682 1.00 0.00 C ATOM 369 CG ASP C 113 19.368 2.570 -29.044 1.00 0.00 C ATOM 370 OD1 ASP C 113 20.502 2.199 -29.218 1.00 0.00 O1- ATOM 371 OD2 ASP C 113 18.509 2.505 -29.895 1.00 0.00 O ATOM 0 H ASP C 113 18.317 3.403 -25.196 1.00 0.00 H new ATOM 0 HA ASP C 113 19.484 1.163 -26.877 1.00 0.00 H new ATOM 0 HB2 ASP C 113 17.893 3.268 -27.633 1.00 0.00 H new ATOM 0 HB3 ASP C 113 19.417 4.128 -27.553 1.00 0.00 H new ATOM 376 N LEU C 114 21.855 2.397 -26.870 1.00 0.00 N ATOM 377 CA LEU C 114 23.244 2.828 -26.482 1.00 0.00 C ATOM 378 C LEU C 114 23.251 4.320 -26.180 1.00 0.00 C ATOM 379 O LEU C 114 23.879 4.756 -25.232 1.00 0.00 O ATOM 380 CB LEU C 114 24.126 2.580 -27.722 1.00 0.00 C ATOM 381 CG LEU C 114 24.388 1.087 -27.912 1.00 0.00 C ATOM 382 CD1 LEU C 114 24.855 0.824 -29.344 1.00 0.00 C ATOM 383 CD2 LEU C 114 25.492 0.655 -26.960 1.00 0.00 C ATOM 0 H LEU C 114 21.784 1.940 -27.779 1.00 0.00 H new ATOM 0 HA LEU C 114 23.596 2.286 -25.604 1.00 0.00 H new ATOM 0 HB2 LEU C 114 23.637 2.984 -28.608 1.00 0.00 H new ATOM 0 HB3 LEU C 114 25.073 3.109 -27.612 1.00 0.00 H new ATOM 0 HG LEU C 114 23.471 0.532 -27.714 1.00 0.00 H new ATOM 0 HD11 LEU C 114 25.041 -0.242 -29.476 1.00 0.00 H new ATOM 0 HD12 LEU C 114 24.084 1.147 -30.043 1.00 0.00 H new ATOM 0 HD13 LEU C 114 25.774 1.379 -29.535 1.00 0.00 H new ATOM 0 HD21 LEU C 114 25.687 -0.410 -27.088 1.00 0.00 H new ATOM 0 HD22 LEU C 114 26.400 1.218 -27.176 1.00 0.00 H new ATOM 0 HD23 LEU C 114 25.182 0.846 -25.933 1.00 0.00 H new ATOM 395 N ASP C 115 22.585 5.117 -26.994 1.00 0.00 N ATOM 396 CA ASP C 115 22.599 6.595 -26.755 1.00 0.00 C ATOM 397 C ASP C 115 21.911 6.945 -25.431 1.00 0.00 C ATOM 398 O ASP C 115 22.432 7.727 -24.645 1.00 0.00 O ATOM 399 CB ASP C 115 21.854 7.243 -27.933 1.00 0.00 C ATOM 400 CG ASP C 115 22.244 8.703 -27.994 1.00 0.00 C ATOM 401 OD1 ASP C 115 23.363 8.978 -28.379 1.00 0.00 O1- ATOM 402 OD2 ASP C 115 21.460 9.530 -27.635 1.00 0.00 O ATOM 0 H ASP C 115 22.042 4.809 -27.800 1.00 0.00 H new ATOM 0 HA ASP C 115 23.623 6.961 -26.688 1.00 0.00 H new ATOM 0 HB2 ASP C 115 22.110 6.742 -28.866 1.00 0.00 H new ATOM 0 HB3 ASP C 115 20.776 7.143 -27.803 1.00 0.00 H new ATOM 407 N GLU C 116 20.761 6.342 -25.152 1.00 0.00 N ATOM 408 CA GLU C 116 20.028 6.654 -23.864 1.00 0.00 C ATOM 409 C GLU C 116 20.888 6.253 -22.650 1.00 0.00 C ATOM 410 O GLU C 116 20.944 6.984 -21.656 1.00 0.00 O ATOM 411 CB GLU C 116 18.717 5.818 -23.900 1.00 0.00 C ATOM 412 CG GLU C 116 17.818 6.284 -25.075 1.00 0.00 C ATOM 413 CD GLU C 116 16.485 5.578 -25.037 1.00 0.00 C ATOM 414 OE1 GLU C 116 15.637 5.981 -24.347 1.00 0.00 O1- ATOM 415 OE2 GLU C 116 16.294 4.629 -25.693 1.00 0.00 O ATOM 0 H GLU C 116 20.305 5.656 -25.754 1.00 0.00 H new ATOM 0 HA GLU C 116 19.817 7.719 -23.773 1.00 0.00 H new ATOM 0 HB2 GLU C 116 18.954 4.760 -24.011 1.00 0.00 H new ATOM 0 HB3 GLU C 116 18.181 5.927 -22.957 1.00 0.00 H new ATOM 0 HG2 GLU C 116 17.666 7.362 -25.018 1.00 0.00 H new ATOM 0 HG3 GLU C 116 18.316 6.081 -26.023 1.00 0.00 H new ATOM 422 N LEU C 117 21.598 5.131 -22.725 1.00 0.00 N ATOM 423 CA LEU C 117 22.499 4.751 -21.582 1.00 0.00 C ATOM 424 C LEU C 117 23.794 5.590 -21.639 1.00 0.00 C ATOM 425 O LEU C 117 24.323 6.001 -20.613 1.00 0.00 O ATOM 426 CB LEU C 117 22.740 3.205 -21.689 1.00 0.00 C ATOM 427 CG LEU C 117 23.956 2.846 -22.580 1.00 0.00 C ATOM 428 CD1 LEU C 117 25.219 2.762 -21.725 1.00 0.00 C ATOM 429 CD2 LEU C 117 23.719 1.480 -23.234 1.00 0.00 C ATOM 0 H LEU C 117 21.589 4.482 -23.512 1.00 0.00 H new ATOM 0 HA LEU C 117 22.057 4.964 -20.609 1.00 0.00 H new ATOM 0 HB2 LEU C 117 22.894 2.796 -20.690 1.00 0.00 H new ATOM 0 HB3 LEU C 117 21.846 2.730 -22.094 1.00 0.00 H new ATOM 0 HG LEU C 117 24.077 3.615 -23.343 1.00 0.00 H new ATOM 0 HD11 LEU C 117 26.070 2.509 -22.357 1.00 0.00 H new ATOM 0 HD12 LEU C 117 25.397 3.724 -21.244 1.00 0.00 H new ATOM 0 HD13 LEU C 117 25.092 1.993 -20.963 1.00 0.00 H new ATOM 0 HD21 LEU C 117 24.573 1.224 -23.862 1.00 0.00 H new ATOM 0 HD22 LEU C 117 23.598 0.722 -22.460 1.00 0.00 H new ATOM 0 HD23 LEU C 117 22.818 1.521 -23.846 1.00 0.00 H new ATOM 441 N LYS C 118 24.284 5.875 -22.836 1.00 0.00 N ATOM 442 CA LYS C 118 25.536 6.702 -22.992 1.00 0.00 C ATOM 443 C LYS C 118 25.358 8.071 -22.319 1.00 0.00 C ATOM 444 O LYS C 118 26.265 8.555 -21.662 1.00 0.00 O ATOM 445 CB LYS C 118 25.686 6.881 -24.523 1.00 0.00 C ATOM 446 CG LYS C 118 26.913 7.745 -24.858 1.00 0.00 C ATOM 447 CD LYS C 118 26.465 9.172 -25.206 1.00 0.00 C ATOM 448 CE LYS C 118 26.032 9.254 -26.687 1.00 0.00 C ATOM 449 NZ LYS C 118 24.890 10.204 -26.712 1.00 0.00 N1+ ATOM 0 H LYS C 118 23.866 5.567 -23.714 1.00 0.00 H new ATOM 0 HA LYS C 118 26.406 6.232 -22.534 1.00 0.00 H new ATOM 0 HB2 LYS C 118 25.783 5.905 -24.999 1.00 0.00 H new ATOM 0 HB3 LYS C 118 24.787 7.346 -24.928 1.00 0.00 H new ATOM 0 HG2 LYS C 118 27.597 7.766 -24.010 1.00 0.00 H new ATOM 0 HG3 LYS C 118 27.457 7.310 -25.696 1.00 0.00 H new ATOM 0 HD2 LYS C 118 25.637 9.468 -24.561 1.00 0.00 H new ATOM 0 HD3 LYS C 118 27.280 9.872 -25.019 1.00 0.00 H new ATOM 0 HE2 LYS C 118 26.849 9.606 -27.316 1.00 0.00 H new ATOM 0 HE3 LYS C 118 25.737 8.275 -27.065 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 24.318 10.037 -27.564 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 24.301 10.061 -25.867 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 25.250 11.180 -26.722 1.00 0.00 H new ATOM 463 N ILE C 119 24.206 8.700 -22.476 1.00 0.00 N ATOM 464 CA ILE C 119 23.998 10.047 -21.829 1.00 0.00 C ATOM 465 C ILE C 119 24.191 9.934 -20.300 1.00 0.00 C ATOM 466 O ILE C 119 24.848 10.774 -19.695 1.00 0.00 O ATOM 467 CB ILE C 119 22.568 10.493 -22.226 1.00 0.00 C ATOM 468 CG1 ILE C 119 22.513 10.676 -23.752 1.00 0.00 C ATOM 469 CG2 ILE C 119 22.227 11.831 -21.562 1.00 0.00 C ATOM 470 CD1 ILE C 119 21.088 10.956 -24.193 1.00 0.00 C ATOM 0 H ILE C 119 23.415 8.346 -23.014 1.00 0.00 H new ATOM 0 HA ILE C 119 24.722 10.791 -22.163 1.00 0.00 H new ATOM 0 HB ILE C 119 21.854 9.736 -21.901 1.00 0.00 H new ATOM 0 HG12 ILE C 119 23.163 11.499 -24.051 1.00 0.00 H new ATOM 0 HG13 ILE C 119 22.886 9.779 -24.247 1.00 0.00 H new ATOM 0 HG21 ILE C 119 21.220 12.133 -21.849 1.00 0.00 H new ATOM 0 HG22 ILE C 119 22.279 11.723 -20.479 1.00 0.00 H new ATOM 0 HG23 ILE C 119 22.940 12.590 -21.885 1.00 0.00 H new ATOM 0 HD11 ILE C 119 21.061 11.084 -25.275 1.00 0.00 H new ATOM 0 HD12 ILE C 119 20.449 10.120 -23.910 1.00 0.00 H new ATOM 0 HD13 ILE C 119 20.730 11.866 -23.711 1.00 0.00 H new ATOM 482 N MET C 120 23.721 8.854 -19.683 1.00 0.00 N ATOM 483 CA MET C 120 24.004 8.668 -18.211 1.00 0.00 C ATOM 484 C MET C 120 25.527 8.559 -18.004 1.00 0.00 C ATOM 485 O MET C 120 26.082 9.182 -17.108 1.00 0.00 O ATOM 486 CB MET C 120 23.323 7.347 -17.791 1.00 0.00 C ATOM 487 CG MET C 120 22.244 7.617 -16.721 1.00 0.00 C ATOM 488 SD MET C 120 22.990 8.469 -15.294 1.00 0.00 S ATOM 489 CE MET C 120 24.227 7.208 -14.866 1.00 0.00 C ATOM 0 H MET C 120 23.171 8.117 -20.123 1.00 0.00 H new ATOM 0 HA MET C 120 23.629 9.504 -17.620 1.00 0.00 H new ATOM 0 HB2 MET C 120 22.871 6.870 -18.661 1.00 0.00 H new ATOM 0 HB3 MET C 120 24.068 6.654 -17.399 1.00 0.00 H new ATOM 0 HG2 MET C 120 21.445 8.226 -17.143 1.00 0.00 H new ATOM 0 HG3 MET C 120 21.793 6.678 -16.401 1.00 0.00 H new ATOM 0 HE1 MET C 120 24.406 7.224 -13.791 1.00 0.00 H new ATOM 0 HE2 MET C 120 23.860 6.224 -15.159 1.00 0.00 H new ATOM 0 HE3 MET C 120 25.158 7.419 -15.392 1.00 0.00 H new ATOM 499 N LEU C 121 26.216 7.822 -18.870 1.00 0.00 N ATOM 500 CA LEU C 121 27.718 7.723 -18.750 1.00 0.00 C ATOM 501 C LEU C 121 28.349 9.105 -18.950 1.00 0.00 C ATOM 502 O LEU C 121 29.267 9.479 -18.223 1.00 0.00 O ATOM 503 CB LEU C 121 28.184 6.729 -19.839 1.00 0.00 C ATOM 504 CG LEU C 121 27.557 5.334 -19.588 1.00 0.00 C ATOM 505 CD1 LEU C 121 28.107 4.337 -20.602 1.00 0.00 C ATOM 506 CD2 LEU C 121 27.908 4.854 -18.177 1.00 0.00 C ATOM 0 H LEU C 121 25.806 7.295 -19.641 1.00 0.00 H new ATOM 0 HA LEU C 121 28.022 7.373 -17.764 1.00 0.00 H new ATOM 0 HB2 LEU C 121 27.895 7.095 -20.824 1.00 0.00 H new ATOM 0 HB3 LEU C 121 29.271 6.654 -19.833 1.00 0.00 H new ATOM 0 HG LEU C 121 26.474 5.407 -19.691 1.00 0.00 H new ATOM 0 HD11 LEU C 121 27.665 3.356 -20.424 1.00 0.00 H new ATOM 0 HD12 LEU C 121 27.859 4.669 -21.610 1.00 0.00 H new ATOM 0 HD13 LEU C 121 29.190 4.272 -20.497 1.00 0.00 H new ATOM 0 HD21 LEU C 121 27.465 3.873 -18.006 1.00 0.00 H new ATOM 0 HD22 LEU C 121 28.991 4.786 -18.075 1.00 0.00 H new ATOM 0 HD23 LEU C 121 27.518 5.561 -17.445 1.00 0.00 H new ATOM 518 N GLN C 122 27.819 9.906 -19.872 1.00 0.00 N ATOM 519 CA GLN C 122 28.342 11.313 -20.038 1.00 0.00 C ATOM 520 C GLN C 122 28.132 12.090 -18.725 1.00 0.00 C ATOM 521 O GLN C 122 28.990 12.838 -18.303 1.00 0.00 O ATOM 522 CB GLN C 122 27.513 11.968 -21.173 1.00 0.00 C ATOM 523 CG GLN C 122 27.794 11.289 -22.528 1.00 0.00 C ATOM 524 CD GLN C 122 26.985 11.989 -23.631 1.00 0.00 C ATOM 525 OE1 GLN C 122 25.855 11.636 -23.893 1.00 0.00 O ATOM 526 NE2 GLN C 122 27.502 12.979 -24.277 1.00 0.00 N ATOM 0 H GLN C 122 27.061 9.647 -20.503 1.00 0.00 H new ATOM 0 HA GLN C 122 29.405 11.318 -20.279 1.00 0.00 H new ATOM 0 HB2 GLN C 122 26.451 11.896 -20.940 1.00 0.00 H new ATOM 0 HB3 GLN C 122 27.754 13.029 -21.238 1.00 0.00 H new ATOM 0 HG2 GLN C 122 28.859 11.337 -22.757 1.00 0.00 H new ATOM 0 HG3 GLN C 122 27.526 10.234 -22.480 1.00 0.00 H new ATOM 0 HE21 GLN C 122 28.452 13.285 -24.066 1.00 0.00 H new ATOM 0 HE22 GLN C 122 26.961 13.455 -24.999 1.00 0.00 H new ATOM 535 N ALA C 123 27.001 11.888 -18.064 1.00 0.00 N ATOM 536 CA ALA C 123 26.744 12.600 -16.760 1.00 0.00 C ATOM 537 C ALA C 123 27.764 12.140 -15.708 1.00 0.00 C ATOM 538 O ALA C 123 28.294 12.954 -14.956 1.00 0.00 O ATOM 539 CB ALA C 123 25.329 12.184 -16.337 1.00 0.00 C ATOM 0 H ALA C 123 26.253 11.266 -18.371 1.00 0.00 H new ATOM 0 HA ALA C 123 26.835 13.682 -16.859 1.00 0.00 H new ATOM 0 HB1 ALA C 123 25.075 12.666 -15.393 1.00 0.00 H new ATOM 0 HB2 ALA C 123 24.616 12.488 -17.103 1.00 0.00 H new ATOM 0 HB3 ALA C 123 25.290 11.102 -16.214 1.00 0.00 H new ATOM 545 N THR C 124 28.052 10.856 -15.643 1.00 0.00 N ATOM 546 CA THR C 124 29.070 10.370 -14.654 1.00 0.00 C ATOM 547 C THR C 124 30.501 10.722 -15.120 1.00 0.00 C ATOM 548 O THR C 124 31.351 11.051 -14.317 1.00 0.00 O ATOM 549 CB THR C 124 28.870 8.830 -14.550 1.00 0.00 C ATOM 550 OG1 THR C 124 28.632 8.251 -15.840 1.00 0.00 O ATOM 551 CG2 THR C 124 27.683 8.514 -13.645 1.00 0.00 C ATOM 0 H THR C 124 27.630 10.133 -16.226 1.00 0.00 H new ATOM 0 HA THR C 124 28.941 10.846 -13.682 1.00 0.00 H new ATOM 0 HB THR C 124 29.783 8.406 -14.132 1.00 0.00 H new ATOM 0 HG1 THR C 124 29.063 8.798 -16.529 1.00 0.00 H new ATOM 0 HG21 THR C 124 27.553 7.434 -13.580 1.00 0.00 H new ATOM 0 HG22 THR C 124 27.867 8.918 -12.650 1.00 0.00 H new ATOM 0 HG23 THR C 124 26.780 8.964 -14.058 1.00 0.00 H new ATOM 559 N GLY C 125 30.772 10.632 -16.403 1.00 0.00 N ATOM 560 CA GLY C 125 32.148 10.909 -16.925 1.00 0.00 C ATOM 561 C GLY C 125 32.971 9.593 -16.982 1.00 0.00 C ATOM 562 O GLY C 125 34.075 9.579 -17.502 1.00 0.00 O ATOM 0 H GLY C 125 30.090 10.376 -17.117 1.00 0.00 H new ATOM 0 HA2 GLY C 125 32.086 11.352 -17.919 1.00 0.00 H new ATOM 0 HA3 GLY C 125 32.650 11.634 -16.284 1.00 0.00 H new ATOM 566 N GLU C 126 32.433 8.484 -16.485 1.00 0.00 N ATOM 567 CA GLU C 126 33.179 7.179 -16.520 1.00 0.00 C ATOM 568 C GLU C 126 32.566 6.253 -17.571 1.00 0.00 C ATOM 569 O GLU C 126 31.442 6.468 -18.021 1.00 0.00 O ATOM 570 CB GLU C 126 33.029 6.575 -15.111 1.00 0.00 C ATOM 571 CG GLU C 126 33.717 7.497 -14.075 1.00 0.00 C ATOM 572 CD GLU C 126 35.217 7.639 -14.384 1.00 0.00 C ATOM 573 OE1 GLU C 126 35.800 6.720 -14.934 1.00 0.00 O1- ATOM 574 OE2 GLU C 126 35.761 8.659 -14.057 1.00 0.00 O ATOM 0 H GLU C 126 31.508 8.435 -16.058 1.00 0.00 H new ATOM 0 HA GLU C 126 34.228 7.316 -16.784 1.00 0.00 H new ATOM 0 HB2 GLU C 126 31.974 6.458 -14.865 1.00 0.00 H new ATOM 0 HB3 GLU C 126 33.475 5.581 -15.081 1.00 0.00 H new ATOM 0 HG2 GLU C 126 33.244 8.479 -14.084 1.00 0.00 H new ATOM 0 HG3 GLU C 126 33.584 7.089 -13.073 1.00 0.00 H new ATOM 581 N THR C 127 33.297 5.222 -17.975 1.00 0.00 N ATOM 582 CA THR C 127 32.822 4.263 -19.067 1.00 0.00 C ATOM 583 C THR C 127 32.293 5.068 -20.298 1.00 0.00 C ATOM 584 O THR C 127 31.389 4.652 -21.002 1.00 0.00 O ATOM 585 CB THR C 127 31.683 3.378 -18.444 1.00 0.00 C ATOM 586 OG1 THR C 127 31.241 3.870 -17.154 1.00 0.00 O ATOM 587 CG2 THR C 127 32.165 1.932 -18.290 1.00 0.00 C ATOM 0 H THR C 127 34.215 4.996 -17.593 1.00 0.00 H new ATOM 0 HA THR C 127 33.640 3.634 -19.418 1.00 0.00 H new ATOM 0 HB THR C 127 30.836 3.426 -19.129 1.00 0.00 H new ATOM 0 HG1 THR C 127 30.532 3.289 -16.808 1.00 0.00 H new ATOM 0 HG21 THR C 127 31.368 1.327 -17.857 1.00 0.00 H new ATOM 0 HG22 THR C 127 32.434 1.532 -19.268 1.00 0.00 H new ATOM 0 HG23 THR C 127 33.036 1.907 -17.635 1.00 0.00 H new ATOM 595 N ILE C 128 32.862 6.233 -20.533 1.00 0.00 N ATOM 596 CA ILE C 128 32.445 7.097 -21.685 1.00 0.00 C ATOM 597 C ILE C 128 32.778 6.414 -23.042 1.00 0.00 C ATOM 598 O ILE C 128 32.234 6.781 -24.072 1.00 0.00 O ATOM 599 CB ILE C 128 33.205 8.452 -21.484 1.00 0.00 C ATOM 600 CG1 ILE C 128 32.600 9.538 -22.381 1.00 0.00 C ATOM 601 CG2 ILE C 128 34.701 8.315 -21.790 1.00 0.00 C ATOM 602 CD1 ILE C 128 31.249 9.982 -21.818 1.00 0.00 C ATOM 0 H ILE C 128 33.611 6.625 -19.963 1.00 0.00 H new ATOM 0 HA ILE C 128 31.368 7.263 -21.712 1.00 0.00 H new ATOM 0 HB ILE C 128 33.095 8.734 -20.437 1.00 0.00 H new ATOM 0 HG12 ILE C 128 33.277 10.390 -22.442 1.00 0.00 H new ATOM 0 HG13 ILE C 128 32.474 9.157 -23.395 1.00 0.00 H new ATOM 0 HG21 ILE C 128 35.193 9.276 -21.639 1.00 0.00 H new ATOM 0 HG22 ILE C 128 35.142 7.573 -21.124 1.00 0.00 H new ATOM 0 HG23 ILE C 128 34.833 7.998 -22.825 1.00 0.00 H new ATOM 0 HD11 ILE C 128 30.824 10.754 -22.459 1.00 0.00 H new ATOM 0 HD12 ILE C 128 30.572 9.128 -21.780 1.00 0.00 H new ATOM 0 HD13 ILE C 128 31.387 10.381 -20.813 1.00 0.00 H new ATOM 614 N THR C 129 33.710 5.486 -23.052 1.00 0.00 N ATOM 615 CA THR C 129 34.136 4.828 -24.325 1.00 0.00 C ATOM 616 C THR C 129 32.947 4.066 -24.948 1.00 0.00 C ATOM 617 O THR C 129 32.203 3.368 -24.263 1.00 0.00 O ATOM 618 CB THR C 129 35.259 3.820 -23.923 1.00 0.00 C ATOM 619 OG1 THR C 129 35.751 4.114 -22.602 1.00 0.00 O ATOM 620 CG2 THR C 129 36.420 3.911 -24.922 1.00 0.00 C ATOM 0 H THR C 129 34.197 5.155 -22.219 1.00 0.00 H new ATOM 0 HA THR C 129 34.486 5.555 -25.058 1.00 0.00 H new ATOM 0 HB THR C 129 34.839 2.814 -23.933 1.00 0.00 H new ATOM 0 HG1 THR C 129 35.292 3.546 -21.948 1.00 0.00 H new ATOM 0 HG21 THR C 129 37.201 3.206 -24.637 1.00 0.00 H new ATOM 0 HG22 THR C 129 36.060 3.669 -25.922 1.00 0.00 H new ATOM 0 HG23 THR C 129 36.825 4.923 -24.918 1.00 0.00 H new ATOM 628 N GLU C 130 32.804 4.146 -26.255 1.00 0.00 N ATOM 629 CA GLU C 130 31.698 3.396 -26.961 1.00 0.00 C ATOM 630 C GLU C 130 31.810 1.898 -26.623 1.00 0.00 C ATOM 631 O GLU C 130 30.811 1.199 -26.531 1.00 0.00 O ATOM 632 CB GLU C 130 31.987 3.573 -28.458 1.00 0.00 C ATOM 633 CG GLU C 130 31.850 5.038 -28.883 1.00 0.00 C ATOM 634 CD GLU C 130 32.186 5.137 -30.352 1.00 0.00 C ATOM 635 OE1 GLU C 130 33.349 5.236 -30.661 1.00 0.00 O1- ATOM 636 OE2 GLU C 130 31.290 5.080 -31.147 1.00 0.00 O ATOM 0 H GLU C 130 33.405 4.698 -26.867 1.00 0.00 H new ATOM 0 HA GLU C 130 30.710 3.756 -26.674 1.00 0.00 H new ATOM 0 HB2 GLU C 130 32.994 3.221 -28.680 1.00 0.00 H new ATOM 0 HB3 GLU C 130 31.299 2.958 -29.038 1.00 0.00 H new ATOM 0 HG2 GLU C 130 30.836 5.393 -28.700 1.00 0.00 H new ATOM 0 HG3 GLU C 130 32.519 5.668 -28.297 1.00 0.00 H new ATOM 643 N ASP C 131 33.025 1.406 -26.469 1.00 0.00 N ATOM 644 CA ASP C 131 33.244 -0.051 -26.160 1.00 0.00 C ATOM 645 C ASP C 131 32.508 -0.397 -24.862 1.00 0.00 C ATOM 646 O ASP C 131 31.813 -1.411 -24.782 1.00 0.00 O ATOM 647 CB ASP C 131 34.773 -0.178 -25.907 1.00 0.00 C ATOM 648 CG ASP C 131 35.570 0.274 -27.120 1.00 0.00 C ATOM 649 OD1 ASP C 131 35.806 1.467 -27.241 1.00 0.00 O1- ATOM 650 OD2 ASP C 131 35.923 -0.559 -27.912 1.00 0.00 O ATOM 0 H ASP C 131 33.880 1.957 -26.545 1.00 0.00 H new ATOM 0 HA ASP C 131 32.890 -0.705 -26.957 1.00 0.00 H new ATOM 0 HB2 ASP C 131 35.052 0.422 -25.041 1.00 0.00 H new ATOM 0 HB3 ASP C 131 35.021 -1.213 -25.671 1.00 0.00 H new ATOM 655 N ASP C 132 32.627 0.456 -23.850 1.00 0.00 N ATOM 656 CA ASP C 132 31.898 0.209 -22.550 1.00 0.00 C ATOM 657 C ASP C 132 30.403 0.289 -22.801 1.00 0.00 C ATOM 658 O ASP C 132 29.630 -0.539 -22.336 1.00 0.00 O ATOM 659 CB ASP C 132 32.295 1.372 -21.601 1.00 0.00 C ATOM 660 CG ASP C 132 33.768 1.329 -21.238 1.00 0.00 C ATOM 661 OD1 ASP C 132 34.264 0.265 -20.960 1.00 0.00 O ATOM 662 OD2 ASP C 132 34.385 2.381 -21.239 1.00 0.00 O1- ATOM 0 H ASP C 132 33.193 1.304 -23.872 1.00 0.00 H new ATOM 0 HA ASP C 132 32.147 -0.766 -22.131 1.00 0.00 H new ATOM 0 HB2 ASP C 132 32.067 2.325 -22.079 1.00 0.00 H new ATOM 0 HB3 ASP C 132 31.696 1.320 -20.692 1.00 0.00 H new ATOM 667 N ILE C 133 29.986 1.304 -23.531 1.00 0.00 N ATOM 668 CA ILE C 133 28.529 1.502 -23.819 1.00 0.00 C ATOM 669 C ILE C 133 27.990 0.313 -24.638 1.00 0.00 C ATOM 670 O ILE C 133 26.885 -0.171 -24.394 1.00 0.00 O ATOM 671 CB ILE C 133 28.459 2.818 -24.650 1.00 0.00 C ATOM 672 CG1 ILE C 133 29.071 3.984 -23.852 1.00 0.00 C ATOM 673 CG2 ILE C 133 27.002 3.171 -24.980 1.00 0.00 C ATOM 674 CD1 ILE C 133 29.189 5.212 -24.752 1.00 0.00 C ATOM 0 H ILE C 133 30.601 2.007 -23.941 1.00 0.00 H new ATOM 0 HA ILE C 133 27.928 1.563 -22.912 1.00 0.00 H new ATOM 0 HB ILE C 133 29.018 2.661 -25.573 1.00 0.00 H new ATOM 0 HG12 ILE C 133 28.448 4.213 -22.987 1.00 0.00 H new ATOM 0 HG13 ILE C 133 30.053 3.703 -23.472 1.00 0.00 H new ATOM 0 HG21 ILE C 133 26.974 4.093 -25.561 1.00 0.00 H new ATOM 0 HG22 ILE C 133 26.554 2.363 -25.559 1.00 0.00 H new ATOM 0 HG23 ILE C 133 26.442 3.308 -24.055 1.00 0.00 H new ATOM 0 HD11 ILE C 133 29.622 6.037 -24.187 1.00 0.00 H new ATOM 0 HD12 ILE C 133 29.829 4.979 -25.603 1.00 0.00 H new ATOM 0 HD13 ILE C 133 28.200 5.497 -25.110 1.00 0.00 H new ATOM 686 N GLU C 134 28.726 -0.118 -25.650 1.00 0.00 N ATOM 687 CA GLU C 134 28.212 -1.198 -26.541 1.00 0.00 C ATOM 688 C GLU C 134 27.989 -2.498 -25.771 1.00 0.00 C ATOM 689 O GLU C 134 26.959 -3.148 -25.940 1.00 0.00 O ATOM 690 CB GLU C 134 29.296 -1.418 -27.615 1.00 0.00 C ATOM 691 CG GLU C 134 28.653 -2.087 -28.847 1.00 0.00 C ATOM 692 CD GLU C 134 29.603 -3.114 -29.455 1.00 0.00 C ATOM 693 OE1 GLU C 134 30.092 -3.961 -28.720 1.00 0.00 O ATOM 694 OE2 GLU C 134 29.805 -3.073 -30.635 1.00 0.00 O1- ATOM 0 H GLU C 134 29.653 0.236 -25.887 1.00 0.00 H new ATOM 0 HA GLU C 134 27.253 -0.911 -26.972 1.00 0.00 H new ATOM 0 HB2 GLU C 134 29.747 -0.466 -27.896 1.00 0.00 H new ATOM 0 HB3 GLU C 134 30.095 -2.045 -27.220 1.00 0.00 H new ATOM 0 HG2 GLU C 134 27.720 -2.572 -28.559 1.00 0.00 H new ATOM 0 HG3 GLU C 134 28.403 -1.330 -29.590 1.00 0.00 H new ATOM 701 N GLU C 135 28.941 -2.929 -24.968 1.00 0.00 N ATOM 702 CA GLU C 135 28.756 -4.254 -24.290 1.00 0.00 C ATOM 703 C GLU C 135 27.526 -4.224 -23.361 1.00 0.00 C ATOM 704 O GLU C 135 26.746 -5.165 -23.345 1.00 0.00 O ATOM 705 CB GLU C 135 30.059 -4.564 -23.536 1.00 0.00 C ATOM 706 CG GLU C 135 30.201 -6.093 -23.399 1.00 0.00 C ATOM 707 CD GLU C 135 30.525 -6.696 -24.759 1.00 0.00 C ATOM 708 OE1 GLU C 135 29.607 -6.967 -25.509 1.00 0.00 O ATOM 709 OE2 GLU C 135 31.673 -6.869 -25.037 1.00 0.00 O1- ATOM 0 H GLU C 135 29.810 -2.438 -24.759 1.00 0.00 H new ATOM 0 HA GLU C 135 28.560 -5.045 -25.014 1.00 0.00 H new ATOM 0 HB2 GLU C 135 30.913 -4.152 -24.073 1.00 0.00 H new ATOM 0 HB3 GLU C 135 30.046 -4.096 -22.552 1.00 0.00 H new ATOM 0 HG2 GLU C 135 30.989 -6.333 -22.686 1.00 0.00 H new ATOM 0 HG3 GLU C 135 29.277 -6.521 -23.010 1.00 0.00 H new ATOM 716 N LEU C 136 27.280 -3.122 -22.672 1.00 0.00 N ATOM 717 CA LEU C 136 26.022 -3.032 -21.824 1.00 0.00 C ATOM 718 C LEU C 136 24.796 -3.224 -22.729 1.00 0.00 C ATOM 719 O LEU C 136 23.860 -3.925 -22.380 1.00 0.00 O ATOM 720 CB LEU C 136 26.003 -1.610 -21.223 1.00 0.00 C ATOM 721 CG LEU C 136 27.240 -1.374 -20.328 1.00 0.00 C ATOM 722 CD1 LEU C 136 27.144 0.000 -19.675 1.00 0.00 C ATOM 723 CD2 LEU C 136 27.313 -2.440 -19.227 1.00 0.00 C ATOM 0 H LEU C 136 27.878 -2.296 -22.656 1.00 0.00 H new ATOM 0 HA LEU C 136 26.004 -3.792 -21.043 1.00 0.00 H new ATOM 0 HB2 LEU C 136 25.983 -0.872 -22.025 1.00 0.00 H new ATOM 0 HB3 LEU C 136 25.094 -1.470 -20.638 1.00 0.00 H new ATOM 0 HG LEU C 136 28.134 -1.433 -20.949 1.00 0.00 H new ATOM 0 HD11 LEU C 136 28.017 0.165 -19.044 1.00 0.00 H new ATOM 0 HD12 LEU C 136 27.104 0.768 -20.447 1.00 0.00 H new ATOM 0 HD13 LEU C 136 26.242 0.051 -19.066 1.00 0.00 H new ATOM 0 HD21 LEU C 136 28.190 -2.261 -18.605 1.00 0.00 H new ATOM 0 HD22 LEU C 136 26.415 -2.390 -18.612 1.00 0.00 H new ATOM 0 HD23 LEU C 136 27.387 -3.428 -19.681 1.00 0.00 H new ATOM 735 N MET C 137 24.830 -2.663 -23.926 1.00 0.00 N ATOM 736 CA MET C 137 23.702 -2.874 -24.899 1.00 0.00 C ATOM 737 C MET C 137 23.559 -4.377 -25.201 1.00 0.00 C ATOM 738 O MET C 137 22.452 -4.880 -25.321 1.00 0.00 O ATOM 739 CB MET C 137 24.114 -2.103 -26.170 1.00 0.00 C ATOM 740 CG MET C 137 23.069 -2.281 -27.276 1.00 0.00 C ATOM 741 SD MET C 137 21.676 -1.165 -26.968 1.00 0.00 S ATOM 742 CE MET C 137 21.396 -0.664 -28.683 1.00 0.00 C ATOM 0 H MET C 137 25.588 -2.071 -24.267 1.00 0.00 H new ATOM 0 HA MET C 137 22.744 -2.526 -24.512 1.00 0.00 H new ATOM 0 HB2 MET C 137 24.228 -1.044 -25.938 1.00 0.00 H new ATOM 0 HB3 MET C 137 25.084 -2.459 -26.519 1.00 0.00 H new ATOM 0 HG2 MET C 137 23.512 -2.068 -28.249 1.00 0.00 H new ATOM 0 HG3 MET C 137 22.723 -3.314 -27.303 1.00 0.00 H new ATOM 0 HE1 MET C 137 20.360 -0.349 -28.805 1.00 0.00 H new ATOM 0 HE2 MET C 137 22.059 0.164 -28.933 1.00 0.00 H new ATOM 0 HE3 MET C 137 21.600 -1.505 -29.346 1.00 0.00 H new ATOM 752 N LYS C 138 24.671 -5.089 -25.321 1.00 0.00 N ATOM 753 CA LYS C 138 24.597 -6.573 -25.593 1.00 0.00 C ATOM 754 C LYS C 138 23.883 -7.264 -24.428 1.00 0.00 C ATOM 755 O LYS C 138 22.949 -8.008 -24.639 1.00 0.00 O ATOM 756 CB LYS C 138 26.061 -7.065 -25.684 1.00 0.00 C ATOM 757 CG LYS C 138 26.399 -7.508 -27.126 1.00 0.00 C ATOM 758 CD LYS C 138 26.405 -6.302 -28.088 1.00 0.00 C ATOM 759 CE LYS C 138 27.537 -5.316 -27.720 1.00 0.00 C ATOM 760 NZ LYS C 138 28.819 -6.074 -27.830 1.00 0.00 N1+ ATOM 0 H LYS C 138 25.615 -4.710 -25.243 1.00 0.00 H new ATOM 0 HA LYS C 138 24.048 -6.794 -26.508 1.00 0.00 H new ATOM 0 HB2 LYS C 138 26.738 -6.268 -25.375 1.00 0.00 H new ATOM 0 HB3 LYS C 138 26.214 -7.897 -24.997 1.00 0.00 H new ATOM 0 HG2 LYS C 138 27.374 -7.995 -27.141 1.00 0.00 H new ATOM 0 HG3 LYS C 138 25.670 -8.244 -27.464 1.00 0.00 H new ATOM 0 HD2 LYS C 138 26.537 -6.649 -29.113 1.00 0.00 H new ATOM 0 HD3 LYS C 138 25.443 -5.791 -28.045 1.00 0.00 H new ATOM 0 HE2 LYS C 138 27.536 -4.458 -28.392 1.00 0.00 H new ATOM 0 HE3 LYS C 138 27.401 -4.930 -26.710 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 29.588 -5.420 -28.080 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 29.033 -6.529 -26.919 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 28.730 -6.802 -28.568 1.00 0.00 H new ATOM 774 N ASP C 139 24.289 -6.997 -23.188 1.00 0.00 N ATOM 775 CA ASP C 139 23.550 -7.633 -22.036 1.00 0.00 C ATOM 776 C ASP C 139 22.112 -7.147 -22.017 1.00 0.00 C ATOM 777 O ASP C 139 21.196 -7.918 -21.786 1.00 0.00 O ATOM 778 CB ASP C 139 24.237 -7.209 -20.728 1.00 0.00 C ATOM 779 CG ASP C 139 23.484 -7.881 -19.570 1.00 0.00 C ATOM 780 OD1 ASP C 139 23.579 -9.090 -19.437 1.00 0.00 O1- ATOM 781 OD2 ASP C 139 22.758 -7.204 -18.896 1.00 0.00 O ATOM 0 H ASP C 139 25.069 -6.390 -22.937 1.00 0.00 H new ATOM 0 HA ASP C 139 23.561 -8.718 -22.143 1.00 0.00 H new ATOM 0 HB2 ASP C 139 25.284 -7.511 -20.730 1.00 0.00 H new ATOM 0 HB3 ASP C 139 24.218 -6.125 -20.619 1.00 0.00 H new ATOM 786 N GLY C 140 21.911 -5.879 -22.221 1.00 0.00 N ATOM 787 CA GLY C 140 20.549 -5.294 -22.156 1.00 0.00 C ATOM 788 C GLY C 140 19.592 -5.947 -23.143 1.00 0.00 C ATOM 789 O GLY C 140 18.419 -6.098 -22.843 1.00 0.00 O ATOM 0 H GLY C 140 22.650 -5.210 -22.435 1.00 0.00 H new ATOM 0 HA2 GLY C 140 20.156 -5.405 -21.145 1.00 0.00 H new ATOM 0 HA3 GLY C 140 20.605 -4.225 -22.361 1.00 0.00 H new ATOM 793 N ASP C 141 20.041 -6.305 -24.326 1.00 0.00 N ATOM 794 CA ASP C 141 19.078 -6.907 -25.297 1.00 0.00 C ATOM 795 C ASP C 141 19.083 -8.417 -25.168 1.00 0.00 C ATOM 796 O ASP C 141 19.923 -9.099 -25.727 1.00 0.00 O ATOM 797 CB ASP C 141 19.524 -6.471 -26.696 1.00 0.00 C ATOM 798 CG ASP C 141 18.447 -6.829 -27.700 1.00 0.00 C ATOM 799 OD1 ASP C 141 17.305 -6.532 -27.442 1.00 0.00 O ATOM 800 OD2 ASP C 141 18.748 -7.370 -28.708 1.00 0.00 O1- ATOM 0 H ASP C 141 21.003 -6.209 -24.651 1.00 0.00 H new ATOM 0 HA ASP C 141 18.059 -6.572 -25.103 1.00 0.00 H new ATOM 0 HB2 ASP C 141 19.710 -5.397 -26.713 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.461 -6.961 -26.961 1.00 0.00 H new ATOM 805 N LYS C 142 18.142 -8.948 -24.457 1.00 0.00 N ATOM 806 CA LYS C 142 18.053 -10.435 -24.305 1.00 0.00 C ATOM 807 C LYS C 142 16.939 -11.012 -25.216 1.00 0.00 C ATOM 808 O LYS C 142 16.860 -12.216 -25.426 1.00 0.00 O ATOM 809 CB LYS C 142 17.771 -10.652 -22.812 1.00 0.00 C ATOM 810 CG LYS C 142 18.953 -10.041 -22.025 1.00 0.00 C ATOM 811 CD LYS C 142 18.858 -10.345 -20.529 1.00 0.00 C ATOM 812 CE LYS C 142 19.985 -9.576 -19.772 1.00 0.00 C ATOM 813 NZ LYS C 142 21.263 -10.017 -20.403 1.00 0.00 N1+ ATOM 0 H LYS C 142 17.420 -8.421 -23.966 1.00 0.00 H new ATOM 0 HA LYS C 142 18.962 -10.952 -24.611 1.00 0.00 H new ATOM 0 HB2 LYS C 142 16.833 -10.177 -22.526 1.00 0.00 H new ATOM 0 HB3 LYS C 142 17.671 -11.715 -22.591 1.00 0.00 H new ATOM 0 HG2 LYS C 142 19.892 -10.433 -22.417 1.00 0.00 H new ATOM 0 HG3 LYS C 142 18.971 -8.962 -22.176 1.00 0.00 H new ATOM 0 HD2 LYS C 142 17.881 -10.049 -20.148 1.00 0.00 H new ATOM 0 HD3 LYS C 142 18.955 -11.417 -20.357 1.00 0.00 H new ATOM 0 HE2 LYS C 142 19.854 -8.498 -19.864 1.00 0.00 H new ATOM 0 HE3 LYS C 142 19.972 -9.809 -18.707 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 22.048 -9.871 -19.737 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 21.200 -11.026 -20.647 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 21.434 -9.462 -21.266 1.00 0.00 H new ATOM 827 N ASN C 143 16.094 -10.159 -25.783 1.00 0.00 N ATOM 828 CA ASN C 143 15.018 -10.643 -26.723 1.00 0.00 C ATOM 829 C ASN C 143 15.429 -10.473 -28.194 1.00 0.00 C ATOM 830 O ASN C 143 14.629 -10.688 -29.071 1.00 0.00 O ATOM 831 CB ASN C 143 13.754 -9.828 -26.396 1.00 0.00 C ATOM 832 CG ASN C 143 13.218 -10.232 -25.013 1.00 0.00 C ATOM 833 OD1 ASN C 143 13.379 -11.368 -24.594 1.00 0.00 O ATOM 834 ND2 ASN C 143 12.604 -9.363 -24.275 1.00 0.00 N ATOM 0 H ASN C 143 16.107 -9.150 -25.632 1.00 0.00 H new ATOM 0 HA ASN C 143 14.841 -11.710 -26.588 1.00 0.00 H new ATOM 0 HB2 ASN C 143 13.983 -8.762 -26.410 1.00 0.00 H new ATOM 0 HB3 ASN C 143 12.992 -10.000 -27.156 1.00 0.00 H new ATOM 0 HD21 ASN C 143 12.260 -9.630 -23.353 1.00 0.00 H new ATOM 0 HD22 ASN C 143 12.465 -8.412 -24.616 1.00 0.00 H new ATOM 841 N ASN C 144 16.686 -10.125 -28.469 1.00 0.00 N ATOM 842 CA ASN C 144 17.199 -9.966 -29.903 1.00 0.00 C ATOM 843 C ASN C 144 16.418 -8.870 -30.654 1.00 0.00 C ATOM 844 O ASN C 144 16.206 -8.964 -31.852 1.00 0.00 O ATOM 845 CB ASN C 144 16.979 -11.330 -30.612 1.00 0.00 C ATOM 846 CG ASN C 144 17.654 -12.464 -29.844 1.00 0.00 C ATOM 847 OD1 ASN C 144 18.845 -12.652 -29.938 1.00 0.00 O ATOM 848 ND2 ASN C 144 16.943 -13.233 -29.074 1.00 0.00 N ATOM 0 H ASN C 144 17.389 -9.941 -27.753 1.00 0.00 H new ATOM 0 HA ASN C 144 18.250 -9.676 -29.895 1.00 0.00 H new ATOM 0 HB2 ASN C 144 15.911 -11.530 -30.698 1.00 0.00 H new ATOM 0 HB3 ASN C 144 17.378 -11.285 -31.625 1.00 0.00 H new ATOM 0 HD21 ASN C 144 17.390 -13.988 -28.555 1.00 0.00 H new ATOM 0 HD22 ASN C 144 15.938 -13.081 -28.989 1.00 0.00 H new ATOM 855 N ASP C 145 16.067 -7.799 -29.983 1.00 0.00 N ATOM 856 CA ASP C 145 15.367 -6.641 -30.677 1.00 0.00 C ATOM 857 C ASP C 145 16.325 -5.437 -30.876 1.00 0.00 C ATOM 858 O ASP C 145 15.933 -4.416 -31.418 1.00 0.00 O ATOM 859 CB ASP C 145 14.154 -6.252 -29.776 1.00 0.00 C ATOM 860 CG ASP C 145 14.593 -6.000 -28.366 1.00 0.00 C ATOM 861 OD1 ASP C 145 15.031 -4.956 -28.054 1.00 0.00 O1- ATOM 862 OD2 ASP C 145 14.569 -6.881 -27.586 1.00 0.00 O ATOM 0 H ASP C 145 16.230 -7.665 -28.985 1.00 0.00 H new ATOM 0 HA ASP C 145 15.036 -6.932 -31.674 1.00 0.00 H new ATOM 0 HB2 ASP C 145 13.671 -5.360 -30.175 1.00 0.00 H new ATOM 0 HB3 ASP C 145 13.413 -7.051 -29.793 1.00 0.00 H new ATOM 867 N GLY C 146 17.574 -5.551 -30.481 1.00 0.00 N ATOM 868 CA GLY C 146 18.565 -4.438 -30.694 1.00 0.00 C ATOM 869 C GLY C 146 18.493 -3.363 -29.586 1.00 0.00 C ATOM 870 O GLY C 146 19.226 -2.401 -29.634 1.00 0.00 O ATOM 0 H GLY C 146 17.954 -6.375 -30.015 1.00 0.00 H new ATOM 0 HA2 GLY C 146 19.572 -4.854 -30.728 1.00 0.00 H new ATOM 0 HA3 GLY C 146 18.380 -3.971 -31.662 1.00 0.00 H new ATOM 874 N ARG C 147 17.627 -3.498 -28.602 1.00 0.00 N ATOM 875 CA ARG C 147 17.571 -2.480 -27.475 1.00 0.00 C ATOM 876 C ARG C 147 17.032 -3.117 -26.206 1.00 0.00 C ATOM 877 O ARG C 147 16.703 -4.326 -26.183 1.00 0.00 O ATOM 878 CB ARG C 147 16.697 -1.294 -27.933 1.00 0.00 C ATOM 879 CG ARG C 147 15.323 -1.754 -28.458 1.00 0.00 C ATOM 880 CD ARG C 147 15.359 -1.873 -30.001 1.00 0.00 C ATOM 881 NE ARG C 147 15.308 -0.456 -30.529 1.00 0.00 N ATOM 882 CZ ARG C 147 16.318 0.371 -30.353 1.00 0.00 C ATOM 883 NH1 ARG C 147 17.525 0.042 -30.773 1.00 0.00 N ATOM 884 NH2 ARG C 147 16.116 1.508 -29.748 1.00 0.00 N1+ ATOM 0 H ARG C 147 16.956 -4.263 -28.524 1.00 0.00 H new ATOM 0 HA ARG C 147 18.573 -2.117 -27.245 1.00 0.00 H new ATOM 0 HB2 ARG C 147 16.554 -0.606 -27.099 1.00 0.00 H new ATOM 0 HB3 ARG C 147 17.217 -0.742 -28.716 1.00 0.00 H new ATOM 0 HG2 ARG C 147 15.059 -2.715 -28.017 1.00 0.00 H new ATOM 0 HG3 ARG C 147 14.553 -1.043 -28.158 1.00 0.00 H new ATOM 0 HD2 ARG C 147 16.265 -2.381 -30.332 1.00 0.00 H new ATOM 0 HD3 ARG C 147 14.514 -2.457 -30.367 1.00 0.00 H new ATOM 0 HE ARG C 147 14.479 -0.136 -31.029 1.00 0.00 H new ATOM 0 HH11 ARG C 147 17.677 -0.854 -31.235 1.00 0.00 H new ATOM 0 HH12 ARG C 147 18.305 0.684 -30.636 1.00 0.00 H new ATOM 0 HH21 ARG C 147 15.182 1.750 -29.416 1.00 0.00 H new ATOM 0 HH22 ARG C 147 16.891 2.155 -29.607 1.00 0.00 H new ATOM 898 N ILE C 148 16.960 -2.378 -25.142 1.00 0.00 N ATOM 899 CA ILE C 148 16.494 -2.992 -23.869 1.00 0.00 C ATOM 900 C ILE C 148 15.052 -2.553 -23.598 1.00 0.00 C ATOM 901 O ILE C 148 14.763 -1.370 -23.448 1.00 0.00 O ATOM 902 CB ILE C 148 17.446 -2.428 -22.792 1.00 0.00 C ATOM 903 CG1 ILE C 148 18.888 -2.636 -23.245 1.00 0.00 C ATOM 904 CG2 ILE C 148 17.237 -3.169 -21.461 1.00 0.00 C ATOM 905 CD1 ILE C 148 19.832 -2.046 -22.235 1.00 0.00 C ATOM 0 H ILE C 148 17.199 -1.388 -25.094 1.00 0.00 H new ATOM 0 HA ILE C 148 16.506 -4.082 -23.888 1.00 0.00 H new ATOM 0 HB ILE C 148 17.238 -1.367 -22.653 1.00 0.00 H new ATOM 0 HG12 ILE C 148 19.090 -3.700 -23.366 1.00 0.00 H new ATOM 0 HG13 ILE C 148 19.044 -2.169 -24.217 1.00 0.00 H new ATOM 0 HG21 ILE C 148 17.913 -2.763 -20.709 1.00 0.00 H new ATOM 0 HG22 ILE C 148 16.207 -3.039 -21.130 1.00 0.00 H new ATOM 0 HG23 ILE C 148 17.443 -4.230 -21.599 1.00 0.00 H new ATOM 0 HD11 ILE C 148 20.860 -2.198 -22.565 1.00 0.00 H new ATOM 0 HD12 ILE C 148 19.637 -0.978 -22.135 1.00 0.00 H new ATOM 0 HD13 ILE C 148 19.685 -2.533 -21.271 1.00 0.00 H new ATOM 917 N ASP C 149 14.172 -3.506 -23.512 1.00 0.00 N ATOM 918 CA ASP C 149 12.730 -3.261 -23.186 1.00 0.00 C ATOM 919 C ASP C 149 12.609 -3.231 -21.665 1.00 0.00 C ATOM 920 O ASP C 149 13.577 -3.530 -20.955 1.00 0.00 O ATOM 921 CB ASP C 149 11.962 -4.502 -23.727 1.00 0.00 C ATOM 922 CG ASP C 149 10.496 -4.157 -24.020 1.00 0.00 C ATOM 923 OD1 ASP C 149 9.946 -3.299 -23.358 1.00 0.00 O ATOM 924 OD2 ASP C 149 9.949 -4.751 -24.924 1.00 0.00 O1- ATOM 0 H ASP C 149 14.398 -4.490 -23.660 1.00 0.00 H new ATOM 0 HA ASP C 149 12.346 -2.334 -23.611 1.00 0.00 H new ATOM 0 HB2 ASP C 149 12.443 -4.864 -24.636 1.00 0.00 H new ATOM 0 HB3 ASP C 149 12.010 -5.310 -22.997 1.00 0.00 H new ATOM 929 N TYR C 150 11.454 -2.927 -21.149 1.00 0.00 N ATOM 930 CA TYR C 150 11.269 -2.908 -19.657 1.00 0.00 C ATOM 931 C TYR C 150 11.671 -4.281 -19.076 1.00 0.00 C ATOM 932 O TYR C 150 12.469 -4.364 -18.137 1.00 0.00 O ATOM 933 CB TYR C 150 9.754 -2.690 -19.472 1.00 0.00 C ATOM 934 CG TYR C 150 9.424 -2.520 -18.017 1.00 0.00 C ATOM 935 CD1 TYR C 150 9.497 -1.257 -17.438 1.00 0.00 C ATOM 936 CD2 TYR C 150 9.037 -3.629 -17.250 1.00 0.00 C ATOM 937 CE1 TYR C 150 9.180 -1.091 -16.100 1.00 0.00 C ATOM 938 CE2 TYR C 150 8.718 -3.460 -15.904 1.00 0.00 C ATOM 939 CZ TYR C 150 8.793 -2.184 -15.324 1.00 0.00 C ATOM 940 OH TYR C 150 8.478 -1.998 -13.992 1.00 0.00 O ATOM 0 H TYR C 150 10.623 -2.689 -21.690 1.00 0.00 H new ATOM 0 HA TYR C 150 11.869 -2.146 -19.160 1.00 0.00 H new ATOM 0 HB2 TYR C 150 9.436 -1.809 -20.029 1.00 0.00 H new ATOM 0 HB3 TYR C 150 9.205 -3.539 -19.879 1.00 0.00 H new ATOM 0 HD1 TYR C 150 9.800 -0.407 -18.031 1.00 0.00 H new ATOM 0 HD2 TYR C 150 8.987 -4.609 -17.701 1.00 0.00 H new ATOM 0 HE1 TYR C 150 9.233 -0.109 -15.654 1.00 0.00 H new ATOM 0 HE2 TYR C 150 8.414 -4.308 -15.309 1.00 0.00 H new ATOM 0 HH TYR C 150 8.228 -2.857 -13.592 1.00 0.00 H new ATOM 950 N ASP C 151 11.167 -5.361 -19.649 1.00 0.00 N ATOM 951 CA ASP C 151 11.553 -6.728 -19.141 1.00 0.00 C ATOM 952 C ASP C 151 13.024 -6.996 -19.379 1.00 0.00 C ATOM 953 O ASP C 151 13.708 -7.504 -18.503 1.00 0.00 O ATOM 954 CB ASP C 151 10.678 -7.753 -19.888 1.00 0.00 C ATOM 955 CG ASP C 151 9.203 -7.645 -19.453 1.00 0.00 C ATOM 956 OD1 ASP C 151 8.936 -7.078 -18.395 1.00 0.00 O1- ATOM 957 OD2 ASP C 151 8.369 -8.158 -20.165 1.00 0.00 O ATOM 0 H ASP C 151 10.516 -5.355 -20.434 1.00 0.00 H new ATOM 0 HA ASP C 151 11.391 -6.798 -18.065 1.00 0.00 H new ATOM 0 HB2 ASP C 151 10.756 -7.588 -20.963 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.045 -8.760 -19.692 1.00 0.00 H new ATOM 962 N GLU C 152 13.557 -6.619 -20.538 1.00 0.00 N ATOM 963 CA GLU C 152 15.032 -6.831 -20.756 1.00 0.00 C ATOM 964 C GLU C 152 15.784 -6.005 -19.719 1.00 0.00 C ATOM 965 O GLU C 152 16.755 -6.451 -19.171 1.00 0.00 O ATOM 966 CB GLU C 152 15.376 -6.308 -22.153 1.00 0.00 C ATOM 967 CG GLU C 152 14.651 -7.107 -23.251 1.00 0.00 C ATOM 968 CD GLU C 152 15.145 -6.650 -24.597 1.00 0.00 C ATOM 969 OE1 GLU C 152 14.749 -5.643 -25.054 1.00 0.00 O ATOM 970 OE2 GLU C 152 15.936 -7.287 -25.182 1.00 0.00 O1- ATOM 0 H GLU C 152 13.050 -6.190 -21.312 1.00 0.00 H new ATOM 0 HA GLU C 152 15.301 -7.884 -20.666 1.00 0.00 H new ATOM 0 HB2 GLU C 152 15.101 -5.256 -22.226 1.00 0.00 H new ATOM 0 HB3 GLU C 152 16.453 -6.368 -22.310 1.00 0.00 H new ATOM 0 HG2 GLU C 152 14.836 -8.174 -23.125 1.00 0.00 H new ATOM 0 HG3 GLU C 152 13.574 -6.959 -23.175 1.00 0.00 H new ATOM 977 N PHE C 153 15.300 -4.814 -19.410 1.00 0.00 N ATOM 978 CA PHE C 153 15.953 -3.983 -18.349 1.00 0.00 C ATOM 979 C PHE C 153 15.922 -4.742 -17.018 1.00 0.00 C ATOM 980 O PHE C 153 16.930 -4.835 -16.334 1.00 0.00 O ATOM 981 CB PHE C 153 15.143 -2.682 -18.271 1.00 0.00 C ATOM 982 CG PHE C 153 15.766 -1.740 -17.264 1.00 0.00 C ATOM 983 CD1 PHE C 153 16.976 -1.097 -17.553 1.00 0.00 C ATOM 984 CD2 PHE C 153 15.121 -1.503 -16.042 1.00 0.00 C ATOM 985 CE1 PHE C 153 17.536 -0.219 -16.626 1.00 0.00 C ATOM 986 CE2 PHE C 153 15.685 -0.625 -15.116 1.00 0.00 C ATOM 987 CZ PHE C 153 16.894 0.013 -15.410 1.00 0.00 C ATOM 0 H PHE C 153 14.483 -4.389 -19.849 1.00 0.00 H new ATOM 0 HA PHE C 153 16.998 -3.768 -18.573 1.00 0.00 H new ATOM 0 HB2 PHE C 153 15.108 -2.207 -19.251 1.00 0.00 H new ATOM 0 HB3 PHE C 153 14.114 -2.902 -17.987 1.00 0.00 H new ATOM 0 HD1 PHE C 153 17.475 -1.281 -18.493 1.00 0.00 H new ATOM 0 HD2 PHE C 153 14.189 -2.000 -15.818 1.00 0.00 H new ATOM 0 HE1 PHE C 153 18.467 0.281 -16.850 1.00 0.00 H new ATOM 0 HE2 PHE C 153 15.189 -0.439 -14.175 1.00 0.00 H new ATOM 0 HZ PHE C 153 17.333 0.689 -14.691 1.00 0.00 H new ATOM 997 N LEU C 154 14.804 -5.363 -16.695 1.00 0.00 N ATOM 998 CA LEU C 154 14.730 -6.209 -15.447 1.00 0.00 C ATOM 999 C LEU C 154 15.836 -7.290 -15.519 1.00 0.00 C ATOM 1000 O LEU C 154 16.423 -7.670 -14.508 1.00 0.00 O ATOM 1001 CB LEU C 154 13.334 -6.865 -15.497 1.00 0.00 C ATOM 1002 CG LEU C 154 13.075 -7.649 -14.209 1.00 0.00 C ATOM 1003 CD1 LEU C 154 12.827 -6.691 -13.042 1.00 0.00 C ATOM 1004 CD2 LEU C 154 11.864 -8.564 -14.399 1.00 0.00 C ATOM 0 H LEU C 154 13.942 -5.322 -17.239 1.00 0.00 H new ATOM 0 HA LEU C 154 14.873 -5.639 -14.529 1.00 0.00 H new ATOM 0 HB2 LEU C 154 12.569 -6.100 -15.626 1.00 0.00 H new ATOM 0 HB3 LEU C 154 13.267 -7.531 -16.357 1.00 0.00 H new ATOM 0 HG LEU C 154 13.953 -8.254 -13.981 1.00 0.00 H new ATOM 0 HD11 LEU C 154 12.644 -7.264 -12.133 1.00 0.00 H new ATOM 0 HD12 LEU C 154 13.701 -6.056 -12.901 1.00 0.00 H new ATOM 0 HD13 LEU C 154 11.958 -6.070 -13.260 1.00 0.00 H new ATOM 0 HD21 LEU C 154 11.681 -9.121 -13.480 1.00 0.00 H new ATOM 0 HD22 LEU C 154 10.987 -7.962 -14.639 1.00 0.00 H new ATOM 0 HD23 LEU C 154 12.059 -9.261 -15.214 1.00 0.00 H new ATOM 1016 N GLU C 155 16.103 -7.808 -16.688 1.00 0.00 N ATOM 1017 CA GLU C 155 17.213 -8.804 -16.845 1.00 0.00 C ATOM 1018 C GLU C 155 18.565 -8.058 -16.896 1.00 0.00 C ATOM 1019 O GLU C 155 19.539 -8.492 -16.337 1.00 0.00 O ATOM 1020 CB GLU C 155 16.917 -9.531 -18.155 1.00 0.00 C ATOM 1021 CG GLU C 155 15.554 -10.243 -18.035 1.00 0.00 C ATOM 1022 CD GLU C 155 15.534 -11.110 -16.785 1.00 0.00 C ATOM 1023 OE1 GLU C 155 16.383 -11.959 -16.664 1.00 0.00 O ATOM 1024 OE2 GLU C 155 14.718 -10.862 -15.929 1.00 0.00 O1- ATOM 0 H GLU C 155 15.600 -7.586 -17.547 1.00 0.00 H new ATOM 0 HA GLU C 155 17.275 -9.510 -16.017 1.00 0.00 H new ATOM 0 HB2 GLU C 155 16.901 -8.823 -18.984 1.00 0.00 H new ATOM 0 HB3 GLU C 155 17.703 -10.255 -18.370 1.00 0.00 H new ATOM 0 HG2 GLU C 155 14.751 -9.507 -17.991 1.00 0.00 H new ATOM 0 HG3 GLU C 155 15.375 -10.857 -18.918 1.00 0.00 H new ATOM 1031 N PHE C 156 18.604 -6.925 -17.549 1.00 0.00 N ATOM 1032 CA PHE C 156 19.861 -6.092 -17.632 1.00 0.00 C ATOM 1033 C PHE C 156 20.340 -5.743 -16.225 1.00 0.00 C ATOM 1034 O PHE C 156 21.489 -5.931 -15.909 1.00 0.00 O ATOM 1035 CB PHE C 156 19.420 -4.820 -18.399 1.00 0.00 C ATOM 1036 CG PHE C 156 20.573 -3.854 -18.569 1.00 0.00 C ATOM 1037 CD1 PHE C 156 21.704 -4.215 -19.307 1.00 0.00 C ATOM 1038 CD2 PHE C 156 20.493 -2.580 -17.995 1.00 0.00 C ATOM 1039 CE1 PHE C 156 22.747 -3.310 -19.471 1.00 0.00 C ATOM 1040 CE2 PHE C 156 21.541 -1.673 -18.159 1.00 0.00 C ATOM 1041 CZ PHE C 156 22.671 -2.038 -18.894 1.00 0.00 C ATOM 0 H PHE C 156 17.804 -6.527 -18.041 1.00 0.00 H new ATOM 0 HA PHE C 156 20.686 -6.604 -18.127 1.00 0.00 H new ATOM 0 HB2 PHE C 156 19.030 -5.100 -19.377 1.00 0.00 H new ATOM 0 HB3 PHE C 156 18.609 -4.330 -17.860 1.00 0.00 H new ATOM 0 HD1 PHE C 156 21.768 -5.198 -19.750 1.00 0.00 H new ATOM 0 HD2 PHE C 156 19.620 -2.299 -17.425 1.00 0.00 H new ATOM 0 HE1 PHE C 156 23.618 -3.590 -20.045 1.00 0.00 H new ATOM 0 HE2 PHE C 156 21.478 -0.689 -17.718 1.00 0.00 H new ATOM 0 HZ PHE C 156 23.485 -1.339 -19.017 1.00 0.00 H new ATOM 1051 N MET C 157 19.447 -5.321 -15.335 1.00 0.00 N ATOM 1052 CA MET C 157 19.911 -5.057 -13.920 1.00 0.00 C ATOM 1053 C MET C 157 20.490 -6.352 -13.319 1.00 0.00 C ATOM 1054 O MET C 157 21.472 -6.309 -12.640 1.00 0.00 O ATOM 1055 CB MET C 157 18.710 -4.523 -13.090 1.00 0.00 C ATOM 1056 CG MET C 157 17.469 -5.406 -13.249 1.00 0.00 C ATOM 1057 SD MET C 157 16.358 -5.159 -11.844 1.00 0.00 S ATOM 1058 CE MET C 157 17.266 -6.178 -10.658 1.00 0.00 C ATOM 0 H MET C 157 18.458 -5.155 -15.519 1.00 0.00 H new ATOM 0 HA MET C 157 20.699 -4.304 -13.907 1.00 0.00 H new ATOM 0 HB2 MET C 157 18.989 -4.475 -12.037 1.00 0.00 H new ATOM 0 HB3 MET C 157 18.475 -3.506 -13.404 1.00 0.00 H new ATOM 0 HG2 MET C 157 16.955 -5.162 -14.179 1.00 0.00 H new ATOM 0 HG3 MET C 157 17.763 -6.454 -13.313 1.00 0.00 H new ATOM 0 HE1 MET C 157 16.680 -7.065 -10.416 1.00 0.00 H new ATOM 0 HE2 MET C 157 18.219 -6.480 -11.093 1.00 0.00 H new ATOM 0 HE3 MET C 157 17.448 -5.604 -9.749 1.00 0.00 H new