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 87:sc= 1.8 USER MOD Set 1.2: C 150 TYR OH : rot 109:sc= 0.0653 USER MOD Single : C 103 MET CE :methyl -111:sc= -0.06 (180deg=-1.01) USER MOD Single : C 106 LYS NZ :NH3+ -169:sc= 0.349 (180deg=0.0956) USER MOD Single : C 107 ASN : amide:sc= -0.0659 X(o=-0.066,f=-0.017) USER MOD Single : C 111 TYR OH : rot 180:sc= 0 USER MOD Single : C 118 LYS NZ :NH3+ 133:sc= 2.04 (180deg=-0.932!) USER MOD Single : C 120 MET CE :methyl -171:sc=-0.00772 (180deg=-0.107) USER MOD Single : C 122 GLN : amide:sc= -0.0745 K(o=-0.074,f=-2.1) USER MOD Single : C 124 THR OG1 : rot 84:sc= 1.03 USER MOD Single : C 127 THR OG1 : rot 180:sc= 0.126 USER MOD Single : C 129 THR OG1 : rot 84:sc= 0.0928 USER MOD Single : C 137 MET CE :methyl -152:sc= -2.71! (180deg=-3.96!) USER MOD Single : C 138 LYS NZ :NH3+ -158:sc= 0.0187 (180deg=-1.91!) USER MOD Single : C 142 LYS NZ :NH3+ -148:sc= 1.8 (180deg=0.0433!) USER MOD Single : C 143 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.26) USER MOD Single : C 144 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : C 157 MET CE :methyl -166:sc= -0.397 (180deg=-1.02) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 5.773 -3.921 -9.677 1.00 0.00 N ATOM 61 CA GLU C 94 6.597 -3.427 -10.837 1.00 0.00 C ATOM 62 C GLU C 94 6.371 -1.921 -11.083 1.00 0.00 C ATOM 63 O GLU C 94 7.256 -1.243 -11.579 1.00 0.00 O ATOM 64 CB GLU C 94 6.131 -4.235 -12.068 1.00 0.00 C ATOM 65 CG GLU C 94 6.388 -5.740 -11.855 1.00 0.00 C ATOM 66 CD GLU C 94 5.079 -6.435 -11.516 1.00 0.00 C ATOM 67 OE1 GLU C 94 4.620 -6.284 -10.401 1.00 0.00 O ATOM 68 OE2 GLU C 94 4.544 -7.085 -12.372 1.00 0.00 O1- ATOM 0 HA GLU C 94 7.660 -3.561 -10.638 1.00 0.00 H new ATOM 0 HB2 GLU C 94 5.069 -4.063 -12.243 1.00 0.00 H new ATOM 0 HB3 GLU C 94 6.660 -3.892 -12.957 1.00 0.00 H new ATOM 0 HG2 GLU C 94 6.821 -6.177 -12.755 1.00 0.00 H new ATOM 0 HG3 GLU C 94 7.109 -5.886 -11.051 1.00 0.00 H new ATOM 75 N GLU C 95 5.191 -1.394 -10.808 1.00 0.00 N ATOM 76 CA GLU C 95 4.923 0.084 -11.086 1.00 0.00 C ATOM 77 C GLU C 95 6.096 0.961 -10.591 1.00 0.00 C ATOM 78 O GLU C 95 6.626 1.768 -11.350 1.00 0.00 O ATOM 79 CB GLU C 95 3.603 0.479 -10.335 1.00 0.00 C ATOM 80 CG GLU C 95 3.378 -0.354 -9.060 1.00 0.00 C ATOM 81 CD GLU C 95 2.276 -1.347 -9.319 1.00 0.00 C ATOM 82 OE1 GLU C 95 2.514 -2.271 -10.046 1.00 0.00 O ATOM 83 OE2 GLU C 95 1.204 -1.171 -8.781 1.00 0.00 O1- ATOM 0 H GLU C 95 4.406 -1.908 -10.408 1.00 0.00 H new ATOM 0 HA GLU C 95 4.821 0.247 -12.159 1.00 0.00 H new ATOM 0 HB2 GLU C 95 3.641 1.536 -10.072 1.00 0.00 H new ATOM 0 HB3 GLU C 95 2.754 0.347 -11.006 1.00 0.00 H new ATOM 0 HG2 GLU C 95 4.295 -0.872 -8.781 1.00 0.00 H new ATOM 0 HG3 GLU C 95 3.112 0.296 -8.226 1.00 0.00 H new ATOM 90 N GLU C 96 6.541 0.775 -9.354 1.00 0.00 N ATOM 91 CA GLU C 96 7.712 1.584 -8.848 1.00 0.00 C ATOM 92 C GLU C 96 8.994 1.218 -9.638 1.00 0.00 C ATOM 93 O GLU C 96 9.756 2.087 -10.036 1.00 0.00 O ATOM 94 CB GLU C 96 7.865 1.236 -7.354 1.00 0.00 C ATOM 95 CG GLU C 96 6.623 1.719 -6.574 1.00 0.00 C ATOM 96 CD GLU C 96 6.888 1.623 -5.089 1.00 0.00 C ATOM 97 OE1 GLU C 96 7.559 2.502 -4.578 1.00 0.00 O ATOM 98 OE2 GLU C 96 6.419 0.698 -4.474 1.00 0.00 O1- ATOM 0 H GLU C 96 6.150 0.110 -8.687 1.00 0.00 H new ATOM 0 HA GLU C 96 7.550 2.654 -8.981 1.00 0.00 H new ATOM 0 HB2 GLU C 96 7.986 0.160 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU C 96 8.763 1.705 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU C 96 6.388 2.748 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU C 96 5.756 1.113 -6.839 1.00 0.00 H new ATOM 105 N LEU C 97 9.186 -0.056 -9.959 1.00 0.00 N ATOM 106 CA LEU C 97 10.366 -0.447 -10.823 1.00 0.00 C ATOM 107 C LEU C 97 10.265 0.263 -12.169 1.00 0.00 C ATOM 108 O LEU C 97 11.259 0.745 -12.711 1.00 0.00 O ATOM 109 CB LEU C 97 10.242 -1.969 -11.034 1.00 0.00 C ATOM 110 CG LEU C 97 11.269 -2.427 -12.075 1.00 0.00 C ATOM 111 CD1 LEU C 97 12.677 -2.252 -11.554 1.00 0.00 C ATOM 112 CD2 LEU C 97 11.019 -3.877 -12.441 1.00 0.00 C ATOM 0 H LEU C 97 8.587 -0.828 -9.665 1.00 0.00 H new ATOM 0 HA LEU C 97 11.316 -0.177 -10.363 1.00 0.00 H new ATOM 0 HB2 LEU C 97 10.406 -2.492 -10.092 1.00 0.00 H new ATOM 0 HB3 LEU C 97 9.235 -2.220 -11.367 1.00 0.00 H new ATOM 0 HG LEU C 97 11.159 -1.810 -12.967 1.00 0.00 H new ATOM 0 HD11 LEU C 97 13.389 -2.584 -12.310 1.00 0.00 H new ATOM 0 HD12 LEU C 97 12.853 -1.201 -11.327 1.00 0.00 H new ATOM 0 HD13 LEU C 97 12.806 -2.845 -10.649 1.00 0.00 H new ATOM 0 HD21 LEU C 97 11.752 -4.197 -13.181 1.00 0.00 H new ATOM 0 HD22 LEU C 97 11.109 -4.498 -11.550 1.00 0.00 H new ATOM 0 HD23 LEU C 97 10.016 -3.980 -12.855 1.00 0.00 H new ATOM 124 N SER C 98 9.094 0.306 -12.725 1.00 0.00 N ATOM 125 CA SER C 98 8.916 0.956 -14.042 1.00 0.00 C ATOM 126 C SER C 98 9.330 2.430 -13.937 1.00 0.00 C ATOM 127 O SER C 98 9.967 2.958 -14.833 1.00 0.00 O ATOM 128 CB SER C 98 7.430 0.849 -14.345 1.00 0.00 C ATOM 129 OG SER C 98 6.981 -0.495 -14.107 1.00 0.00 O ATOM 0 H SER C 98 8.244 -0.086 -12.318 1.00 0.00 H new ATOM 0 HA SER C 98 9.520 0.493 -14.822 1.00 0.00 H new ATOM 0 HB2 SER C 98 6.871 1.545 -13.720 1.00 0.00 H new ATOM 0 HB3 SER C 98 7.240 1.128 -15.381 1.00 0.00 H new ATOM 0 HG SER C 98 6.726 -0.593 -13.166 1.00 0.00 H new ATOM 135 N ASP C 99 9.012 3.089 -12.830 1.00 0.00 N ATOM 136 CA ASP C 99 9.445 4.520 -12.667 1.00 0.00 C ATOM 137 C ASP C 99 10.972 4.592 -12.680 1.00 0.00 C ATOM 138 O ASP C 99 11.557 5.462 -13.326 1.00 0.00 O ATOM 139 CB ASP C 99 8.923 4.970 -11.308 1.00 0.00 C ATOM 140 CG ASP C 99 8.838 6.471 -11.307 1.00 0.00 C ATOM 141 OD1 ASP C 99 7.893 6.984 -11.858 1.00 0.00 O ATOM 142 OD2 ASP C 99 9.713 7.093 -10.764 1.00 0.00 O1- ATOM 0 H ASP C 99 8.481 2.701 -12.050 1.00 0.00 H new ATOM 0 HA ASP C 99 9.063 5.151 -13.470 1.00 0.00 H new ATOM 0 HB2 ASP C 99 7.943 4.534 -11.115 1.00 0.00 H new ATOM 0 HB3 ASP C 99 9.586 4.627 -10.514 1.00 0.00 H new ATOM 147 N LEU C 100 11.633 3.655 -12.013 1.00 0.00 N ATOM 148 CA LEU C 100 13.138 3.621 -12.051 1.00 0.00 C ATOM 149 C LEU C 100 13.568 3.400 -13.510 1.00 0.00 C ATOM 150 O LEU C 100 14.447 4.061 -14.007 1.00 0.00 O ATOM 151 CB LEU C 100 13.529 2.399 -11.201 1.00 0.00 C ATOM 152 CG LEU C 100 15.043 2.379 -10.974 1.00 0.00 C ATOM 153 CD1 LEU C 100 15.414 3.507 -10.014 1.00 0.00 C ATOM 154 CD2 LEU C 100 15.452 1.034 -10.358 1.00 0.00 C ATOM 0 H LEU C 100 11.197 2.923 -11.452 1.00 0.00 H new ATOM 0 HA LEU C 100 13.603 4.534 -11.680 1.00 0.00 H new ATOM 0 HB2 LEU C 100 13.010 2.432 -10.243 1.00 0.00 H new ATOM 0 HB3 LEU C 100 13.216 1.483 -11.702 1.00 0.00 H new ATOM 0 HG LEU C 100 15.560 2.513 -11.924 1.00 0.00 H new ATOM 0 HD11 LEU C 100 16.491 3.502 -9.845 1.00 0.00 H new ATOM 0 HD12 LEU C 100 15.119 4.464 -10.445 1.00 0.00 H new ATOM 0 HD13 LEU C 100 14.897 3.362 -9.065 1.00 0.00 H new ATOM 0 HD21 LEU C 100 16.530 1.020 -10.197 1.00 0.00 H new ATOM 0 HD22 LEU C 100 14.941 0.900 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU C 100 15.176 0.225 -11.035 1.00 0.00 H new ATOM 166 N PHE C 101 12.885 2.524 -14.215 1.00 0.00 N ATOM 167 CA PHE C 101 13.183 2.330 -15.673 1.00 0.00 C ATOM 168 C PHE C 101 12.919 3.649 -16.429 1.00 0.00 C ATOM 169 O PHE C 101 13.694 4.051 -17.278 1.00 0.00 O ATOM 170 CB PHE C 101 12.217 1.225 -16.142 1.00 0.00 C ATOM 171 CG PHE C 101 12.455 0.920 -17.600 1.00 0.00 C ATOM 172 CD1 PHE C 101 13.577 0.196 -17.994 1.00 0.00 C ATOM 173 CD2 PHE C 101 11.555 1.387 -18.555 1.00 0.00 C ATOM 174 CE1 PHE C 101 13.796 -0.067 -19.350 1.00 0.00 C ATOM 175 CE2 PHE C 101 11.776 1.126 -19.905 1.00 0.00 C ATOM 176 CZ PHE C 101 12.895 0.400 -20.306 1.00 0.00 C ATOM 0 H PHE C 101 12.137 1.938 -13.845 1.00 0.00 H new ATOM 0 HA PHE C 101 14.221 2.052 -15.858 1.00 0.00 H new ATOM 0 HB2 PHE C 101 12.363 0.325 -15.545 1.00 0.00 H new ATOM 0 HB3 PHE C 101 11.186 1.544 -15.992 1.00 0.00 H new ATOM 0 HD1 PHE C 101 14.277 -0.162 -17.254 1.00 0.00 H new ATOM 0 HD2 PHE C 101 10.686 1.951 -18.249 1.00 0.00 H new ATOM 0 HE1 PHE C 101 14.664 -0.632 -19.657 1.00 0.00 H new ATOM 0 HE2 PHE C 101 11.077 1.488 -20.644 1.00 0.00 H new ATOM 0 HZ PHE C 101 13.064 0.200 -21.354 1.00 0.00 H new ATOM 186 N ARG C 102 11.820 4.310 -16.116 1.00 0.00 N ATOM 187 CA ARG C 102 11.438 5.591 -16.809 1.00 0.00 C ATOM 188 C ARG C 102 12.573 6.620 -16.715 1.00 0.00 C ATOM 189 O ARG C 102 12.859 7.292 -17.680 1.00 0.00 O ATOM 190 CB ARG C 102 10.197 6.089 -16.029 1.00 0.00 C ATOM 191 CG ARG C 102 9.574 7.330 -16.697 1.00 0.00 C ATOM 192 CD ARG C 102 8.335 7.788 -15.886 1.00 0.00 C ATOM 193 NE ARG C 102 8.886 8.361 -14.607 1.00 0.00 N ATOM 194 CZ ARG C 102 8.340 9.429 -14.070 1.00 0.00 C ATOM 195 NH1 ARG C 102 8.431 10.586 -14.695 1.00 0.00 N1+ ATOM 196 NH2 ARG C 102 7.722 9.334 -12.919 1.00 0.00 N ATOM 0 H ARG C 102 11.162 4.009 -15.397 1.00 0.00 H new ATOM 0 HA ARG C 102 11.240 5.445 -17.871 1.00 0.00 H new ATOM 0 HB2 ARG C 102 9.455 5.292 -15.975 1.00 0.00 H new ATOM 0 HB3 ARG C 102 10.482 6.330 -15.005 1.00 0.00 H new ATOM 0 HG2 ARG C 102 10.307 8.135 -16.747 1.00 0.00 H new ATOM 0 HG3 ARG C 102 9.285 7.098 -17.722 1.00 0.00 H new ATOM 0 HD2 ARG C 102 7.759 8.533 -16.435 1.00 0.00 H new ATOM 0 HD3 ARG C 102 7.665 6.952 -15.686 1.00 0.00 H new ATOM 0 HE ARG C 102 9.686 7.918 -14.156 1.00 0.00 H new ATOM 0 HH11 ARG C 102 8.922 10.647 -15.587 1.00 0.00 H new ATOM 0 HH12 ARG C 102 8.011 11.421 -14.287 1.00 0.00 H new ATOM 0 HH21 ARG C 102 7.666 8.434 -12.443 1.00 0.00 H new ATOM 0 HH22 ARG C 102 7.297 10.160 -12.499 1.00 0.00 H new ATOM 210 N MET C 103 13.220 6.764 -15.566 1.00 0.00 N ATOM 211 CA MET C 103 14.343 7.780 -15.489 1.00 0.00 C ATOM 212 C MET C 103 15.532 7.351 -16.382 1.00 0.00 C ATOM 213 O MET C 103 16.247 8.194 -16.922 1.00 0.00 O ATOM 214 CB MET C 103 14.762 7.953 -14.002 1.00 0.00 C ATOM 215 CG MET C 103 15.129 6.614 -13.351 1.00 0.00 C ATOM 216 SD MET C 103 16.269 6.896 -11.976 1.00 0.00 S ATOM 217 CE MET C 103 17.800 6.928 -12.945 1.00 0.00 C ATOM 0 H MET C 103 13.030 6.244 -14.709 1.00 0.00 H new ATOM 0 HA MET C 103 14.001 8.743 -15.868 1.00 0.00 H new ATOM 0 HB2 MET C 103 15.613 8.631 -13.941 1.00 0.00 H new ATOM 0 HB3 MET C 103 13.946 8.415 -13.446 1.00 0.00 H new ATOM 0 HG2 MET C 103 14.229 6.114 -12.993 1.00 0.00 H new ATOM 0 HG3 MET C 103 15.588 5.955 -14.087 1.00 0.00 H new ATOM 0 HE1 MET C 103 18.395 6.044 -12.715 1.00 0.00 H new ATOM 0 HE2 MET C 103 17.558 6.936 -14.008 1.00 0.00 H new ATOM 0 HE3 MET C 103 18.370 7.823 -12.696 1.00 0.00 H new ATOM 227 N PHE C 104 15.759 6.053 -16.545 1.00 0.00 N ATOM 228 CA PHE C 104 16.891 5.582 -17.431 1.00 0.00 C ATOM 229 C PHE C 104 16.642 5.937 -18.907 1.00 0.00 C ATOM 230 O PHE C 104 17.588 6.326 -19.622 1.00 0.00 O ATOM 231 CB PHE C 104 16.998 4.052 -17.248 1.00 0.00 C ATOM 232 CG PHE C 104 17.952 3.747 -16.112 1.00 0.00 C ATOM 233 CD1 PHE C 104 17.489 3.653 -14.798 1.00 0.00 C ATOM 234 CD2 PHE C 104 19.316 3.571 -16.385 1.00 0.00 C ATOM 235 CE1 PHE C 104 18.386 3.380 -13.756 1.00 0.00 C ATOM 236 CE2 PHE C 104 20.211 3.302 -15.346 1.00 0.00 C ATOM 237 CZ PHE C 104 19.746 3.207 -14.030 1.00 0.00 C ATOM 0 H PHE C 104 15.215 5.310 -16.107 1.00 0.00 H new ATOM 0 HA PHE C 104 17.820 6.077 -17.149 1.00 0.00 H new ATOM 0 HB2 PHE C 104 16.016 3.630 -17.036 1.00 0.00 H new ATOM 0 HB3 PHE C 104 17.352 3.588 -18.169 1.00 0.00 H new ATOM 0 HD1 PHE C 104 16.439 3.791 -14.584 1.00 0.00 H new ATOM 0 HD2 PHE C 104 19.676 3.644 -17.401 1.00 0.00 H new ATOM 0 HE1 PHE C 104 18.026 3.303 -12.741 1.00 0.00 H new ATOM 0 HE2 PHE C 104 21.261 3.168 -15.559 1.00 0.00 H new ATOM 0 HZ PHE C 104 20.437 3.000 -13.226 1.00 0.00 H new ATOM 247 N ASP C 105 15.412 5.813 -19.388 1.00 0.00 N ATOM 248 CA ASP C 105 15.130 6.123 -20.841 1.00 0.00 C ATOM 249 C ASP C 105 15.113 7.629 -21.049 1.00 0.00 C ATOM 250 O ASP C 105 14.425 8.366 -20.354 1.00 0.00 O ATOM 251 CB ASP C 105 13.752 5.534 -21.162 1.00 0.00 C ATOM 252 CG ASP C 105 13.514 5.634 -22.659 1.00 0.00 C ATOM 253 OD1 ASP C 105 14.265 5.039 -23.397 1.00 0.00 O ATOM 254 OD2 ASP C 105 12.611 6.296 -23.053 1.00 0.00 O1- ATOM 0 H ASP C 105 14.603 5.514 -18.844 1.00 0.00 H new ATOM 0 HA ASP C 105 15.895 5.699 -21.491 1.00 0.00 H new ATOM 0 HB2 ASP C 105 13.702 4.494 -20.840 1.00 0.00 H new ATOM 0 HB3 ASP C 105 12.975 6.073 -20.619 1.00 0.00 H new ATOM 259 N LYS C 106 15.945 8.099 -21.925 1.00 0.00 N ATOM 260 CA LYS C 106 16.082 9.579 -22.136 1.00 0.00 C ATOM 261 C LYS C 106 15.309 10.014 -23.370 1.00 0.00 C ATOM 262 O LYS C 106 14.867 11.141 -23.451 1.00 0.00 O ATOM 263 CB LYS C 106 17.589 9.786 -22.334 1.00 0.00 C ATOM 264 CG LYS C 106 18.289 9.204 -21.111 1.00 0.00 C ATOM 265 CD LYS C 106 19.808 9.433 -21.142 1.00 0.00 C ATOM 266 CE LYS C 106 20.548 8.620 -20.006 1.00 0.00 C ATOM 267 NZ LYS C 106 19.500 8.000 -19.096 1.00 0.00 N1+ ATOM 0 H LYS C 106 16.547 7.524 -22.515 1.00 0.00 H new ATOM 0 HA LYS C 106 15.686 10.164 -21.306 1.00 0.00 H new ATOM 0 HB2 LYS C 106 17.929 9.291 -23.244 1.00 0.00 H new ATOM 0 HB3 LYS C 106 17.821 10.846 -22.442 1.00 0.00 H new ATOM 0 HG2 LYS C 106 17.875 9.655 -20.209 1.00 0.00 H new ATOM 0 HG3 LYS C 106 18.087 8.134 -21.054 1.00 0.00 H new ATOM 0 HD2 LYS C 106 20.200 9.137 -22.115 1.00 0.00 H new ATOM 0 HD3 LYS C 106 20.018 10.496 -21.024 1.00 0.00 H new ATOM 0 HE2 LYS C 106 21.177 7.844 -20.443 1.00 0.00 H new ATOM 0 HE3 LYS C 106 21.204 9.278 -19.435 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 19.960 7.621 -18.244 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 18.806 8.725 -18.821 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 19.015 7.230 -19.599 1.00 0.00 H new ATOM 281 N ASN C 107 15.170 9.151 -24.354 1.00 0.00 N ATOM 282 CA ASN C 107 14.449 9.581 -25.591 1.00 0.00 C ATOM 283 C ASN C 107 12.924 9.362 -25.471 1.00 0.00 C ATOM 284 O ASN C 107 12.202 9.554 -26.438 1.00 0.00 O ATOM 285 CB ASN C 107 15.040 8.768 -26.760 1.00 0.00 C ATOM 286 CG ASN C 107 16.502 9.171 -26.997 1.00 0.00 C ATOM 287 OD1 ASN C 107 16.795 10.333 -27.216 1.00 0.00 O ATOM 288 ND2 ASN C 107 17.438 8.276 -26.945 1.00 0.00 N ATOM 0 H ASN C 107 15.516 8.192 -24.353 1.00 0.00 H new ATOM 0 HA ASN C 107 14.584 10.650 -25.755 1.00 0.00 H new ATOM 0 HB2 ASN C 107 14.980 7.702 -26.539 1.00 0.00 H new ATOM 0 HB3 ASN C 107 14.456 8.940 -27.664 1.00 0.00 H new ATOM 0 HD21 ASN C 107 18.411 8.547 -27.087 1.00 0.00 H new ATOM 0 HD22 ASN C 107 17.202 7.301 -26.762 1.00 0.00 H new ATOM 295 N ALA C 108 12.427 8.930 -24.305 1.00 0.00 N ATOM 296 CA ALA C 108 10.943 8.641 -24.104 1.00 0.00 C ATOM 297 C ALA C 108 10.448 7.543 -25.070 1.00 0.00 C ATOM 298 O ALA C 108 9.254 7.341 -25.216 1.00 0.00 O ATOM 299 CB ALA C 108 10.198 9.964 -24.361 1.00 0.00 C ATOM 0 H ALA C 108 12.998 8.765 -23.476 1.00 0.00 H new ATOM 0 HA ALA C 108 10.759 8.273 -23.095 1.00 0.00 H new ATOM 0 HB1 ALA C 108 9.127 9.810 -24.229 1.00 0.00 H new ATOM 0 HB2 ALA C 108 10.545 10.720 -23.657 1.00 0.00 H new ATOM 0 HB3 ALA C 108 10.394 10.300 -25.379 1.00 0.00 H new ATOM 305 N ASP C 109 11.349 6.797 -25.679 1.00 0.00 N ATOM 306 CA ASP C 109 10.940 5.658 -26.572 1.00 0.00 C ATOM 307 C ASP C 109 10.465 4.456 -25.723 1.00 0.00 C ATOM 308 O ASP C 109 9.745 3.597 -26.214 1.00 0.00 O ATOM 309 CB ASP C 109 12.185 5.294 -27.423 1.00 0.00 C ATOM 310 CG ASP C 109 13.308 4.813 -26.543 1.00 0.00 C ATOM 311 OD1 ASP C 109 14.005 5.614 -26.016 1.00 0.00 O ATOM 312 OD2 ASP C 109 13.467 3.656 -26.400 1.00 0.00 O1- ATOM 0 H ASP C 109 12.357 6.931 -25.594 1.00 0.00 H new ATOM 0 HA ASP C 109 10.106 5.935 -27.218 1.00 0.00 H new ATOM 0 HB2 ASP C 109 11.925 4.520 -28.145 1.00 0.00 H new ATOM 0 HB3 ASP C 109 12.510 6.165 -27.993 1.00 0.00 H new ATOM 317 N GLY C 110 10.868 4.380 -24.470 1.00 0.00 N ATOM 318 CA GLY C 110 10.428 3.243 -23.588 1.00 0.00 C ATOM 319 C GLY C 110 11.487 2.124 -23.526 1.00 0.00 C ATOM 320 O GLY C 110 11.300 1.150 -22.822 1.00 0.00 O ATOM 0 H GLY C 110 11.484 5.058 -24.020 1.00 0.00 H new ATOM 0 HA2 GLY C 110 10.235 3.617 -22.582 1.00 0.00 H new ATOM 0 HA3 GLY C 110 9.489 2.835 -23.962 1.00 0.00 H new ATOM 324 N TYR C 111 12.578 2.231 -24.253 1.00 0.00 N ATOM 325 CA TYR C 111 13.648 1.162 -24.212 1.00 0.00 C ATOM 326 C TYR C 111 14.985 1.836 -23.921 1.00 0.00 C ATOM 327 O TYR C 111 15.241 2.956 -24.411 1.00 0.00 O ATOM 328 CB TYR C 111 13.686 0.558 -25.624 1.00 0.00 C ATOM 329 CG TYR C 111 12.302 0.111 -26.048 1.00 0.00 C ATOM 330 CD1 TYR C 111 11.813 -1.145 -25.672 1.00 0.00 C ATOM 331 CD2 TYR C 111 11.498 0.973 -26.795 1.00 0.00 C ATOM 332 CE1 TYR C 111 10.530 -1.534 -26.061 1.00 0.00 C ATOM 333 CE2 TYR C 111 10.223 0.587 -27.177 1.00 0.00 C ATOM 334 CZ TYR C 111 9.730 -0.658 -26.807 1.00 0.00 C ATOM 335 OH TYR C 111 8.453 -1.021 -27.185 1.00 0.00 O ATOM 0 H TYR C 111 12.779 3.013 -24.876 1.00 0.00 H new ATOM 0 HA TYR C 111 13.453 0.404 -23.454 1.00 0.00 H new ATOM 0 HB2 TYR C 111 14.069 1.294 -26.331 1.00 0.00 H new ATOM 0 HB3 TYR C 111 14.371 -0.290 -25.645 1.00 0.00 H new ATOM 0 HD1 TYR C 111 12.426 -1.811 -25.083 1.00 0.00 H new ATOM 0 HD2 TYR C 111 11.871 1.946 -27.077 1.00 0.00 H new ATOM 0 HE1 TYR C 111 10.154 -2.509 -25.787 1.00 0.00 H new ATOM 0 HE2 TYR C 111 9.611 1.256 -27.764 1.00 0.00 H new ATOM 0 HH TYR C 111 8.043 -0.292 -27.695 1.00 0.00 H new ATOM 345 N ILE C 112 15.889 1.171 -23.251 1.00 0.00 N ATOM 346 CA ILE C 112 17.223 1.805 -23.014 1.00 0.00 C ATOM 347 C ILE C 112 18.047 1.570 -24.283 1.00 0.00 C ATOM 348 O ILE C 112 18.198 0.431 -24.750 1.00 0.00 O ATOM 349 CB ILE C 112 17.850 1.070 -21.788 1.00 0.00 C ATOM 350 CG1 ILE C 112 16.856 1.029 -20.601 1.00 0.00 C ATOM 351 CG2 ILE C 112 19.108 1.821 -21.332 1.00 0.00 C ATOM 352 CD1 ILE C 112 16.306 2.436 -20.304 1.00 0.00 C ATOM 0 H ILE C 112 15.768 0.235 -22.864 1.00 0.00 H new ATOM 0 HA ILE C 112 17.174 2.874 -22.808 1.00 0.00 H new ATOM 0 HB ILE C 112 18.094 0.052 -22.091 1.00 0.00 H new ATOM 0 HG12 ILE C 112 16.033 0.353 -20.832 1.00 0.00 H new ATOM 0 HG13 ILE C 112 17.355 0.634 -19.716 1.00 0.00 H new ATOM 0 HG21 ILE C 112 19.547 1.309 -20.476 1.00 0.00 H new ATOM 0 HG22 ILE C 112 19.831 1.849 -22.148 1.00 0.00 H new ATOM 0 HG23 ILE C 112 18.841 2.839 -21.048 1.00 0.00 H new ATOM 0 HD11 ILE C 112 15.610 2.385 -19.467 1.00 0.00 H new ATOM 0 HD12 ILE C 112 17.130 3.103 -20.050 1.00 0.00 H new ATOM 0 HD13 ILE C 112 15.788 2.817 -21.184 1.00 0.00 H new ATOM 364 N ASP C 113 18.463 2.644 -24.901 1.00 0.00 N ATOM 365 CA ASP C 113 19.166 2.580 -26.227 1.00 0.00 C ATOM 366 C ASP C 113 20.647 2.884 -26.040 1.00 0.00 C ATOM 367 O ASP C 113 21.051 3.446 -25.032 1.00 0.00 O ATOM 368 CB ASP C 113 18.509 3.685 -27.080 1.00 0.00 C ATOM 369 CG ASP C 113 17.013 3.465 -27.132 1.00 0.00 C ATOM 370 OD1 ASP C 113 16.593 2.553 -27.791 1.00 0.00 O1- ATOM 371 OD2 ASP C 113 16.306 4.210 -26.471 1.00 0.00 O ATOM 0 H ASP C 113 18.344 3.589 -24.536 1.00 0.00 H new ATOM 0 HA ASP C 113 19.086 1.597 -26.691 1.00 0.00 H new ATOM 0 HB2 ASP C 113 18.728 4.665 -26.655 1.00 0.00 H new ATOM 0 HB3 ASP C 113 18.923 3.675 -28.088 1.00 0.00 H new ATOM 376 N LEU C 114 21.460 2.549 -27.017 1.00 0.00 N ATOM 377 CA LEU C 114 22.955 2.813 -26.910 1.00 0.00 C ATOM 378 C LEU C 114 23.227 4.279 -26.579 1.00 0.00 C ATOM 379 O LEU C 114 24.026 4.581 -25.696 1.00 0.00 O ATOM 380 CB LEU C 114 23.532 2.502 -28.311 1.00 0.00 C ATOM 381 CG LEU C 114 23.384 1.014 -28.639 1.00 0.00 C ATOM 382 CD1 LEU C 114 23.812 0.768 -30.082 1.00 0.00 C ATOM 383 CD2 LEU C 114 24.300 0.211 -27.721 1.00 0.00 C ATOM 0 H LEU C 114 21.164 2.105 -27.886 1.00 0.00 H new ATOM 0 HA LEU C 114 23.402 2.206 -26.123 1.00 0.00 H new ATOM 0 HB2 LEU C 114 23.015 3.098 -29.063 1.00 0.00 H new ATOM 0 HB3 LEU C 114 24.584 2.785 -28.347 1.00 0.00 H new ATOM 0 HG LEU C 114 22.346 0.712 -28.501 1.00 0.00 H new ATOM 0 HD11 LEU C 114 23.707 -0.291 -30.317 1.00 0.00 H new ATOM 0 HD12 LEU C 114 23.183 1.353 -30.753 1.00 0.00 H new ATOM 0 HD13 LEU C 114 24.853 1.067 -30.209 1.00 0.00 H new ATOM 0 HD21 LEU C 114 24.202 -0.851 -27.947 1.00 0.00 H new ATOM 0 HD22 LEU C 114 25.333 0.521 -27.877 1.00 0.00 H new ATOM 0 HD23 LEU C 114 24.020 0.388 -26.682 1.00 0.00 H new ATOM 395 N ASP C 115 22.574 5.192 -27.268 1.00 0.00 N ATOM 396 CA ASP C 115 22.809 6.645 -26.990 1.00 0.00 C ATOM 397 C ASP C 115 22.410 6.987 -25.555 1.00 0.00 C ATOM 398 O ASP C 115 23.127 7.675 -24.848 1.00 0.00 O ATOM 399 CB ASP C 115 21.939 7.419 -27.990 1.00 0.00 C ATOM 400 CG ASP C 115 22.539 8.782 -28.215 1.00 0.00 C ATOM 401 OD1 ASP C 115 23.707 8.849 -28.498 1.00 0.00 O1- ATOM 402 OD2 ASP C 115 21.829 9.736 -28.152 1.00 0.00 O ATOM 0 H ASP C 115 21.895 4.993 -28.003 1.00 0.00 H new ATOM 0 HA ASP C 115 23.862 6.904 -27.099 1.00 0.00 H new ATOM 0 HB2 ASP C 115 21.876 6.876 -28.933 1.00 0.00 H new ATOM 0 HB3 ASP C 115 20.922 7.514 -27.609 1.00 0.00 H new ATOM 407 N GLU C 116 21.316 6.446 -25.083 1.00 0.00 N ATOM 408 CA GLU C 116 20.920 6.700 -23.665 1.00 0.00 C ATOM 409 C GLU C 116 22.001 6.125 -22.729 1.00 0.00 C ATOM 410 O GLU C 116 22.339 6.739 -21.716 1.00 0.00 O ATOM 411 CB GLU C 116 19.571 5.978 -23.484 1.00 0.00 C ATOM 412 CG GLU C 116 18.515 6.653 -24.390 1.00 0.00 C ATOM 413 CD GLU C 116 17.162 5.970 -24.299 1.00 0.00 C ATOM 414 OE1 GLU C 116 17.064 4.875 -23.874 1.00 0.00 O1- ATOM 415 OE2 GLU C 116 16.231 6.525 -24.722 1.00 0.00 O ATOM 0 H GLU C 116 20.685 5.845 -25.613 1.00 0.00 H new ATOM 0 HA GLU C 116 20.825 7.760 -23.430 1.00 0.00 H new ATOM 0 HB2 GLU C 116 19.670 4.924 -23.742 1.00 0.00 H new ATOM 0 HB3 GLU C 116 19.257 6.023 -22.441 1.00 0.00 H new ATOM 0 HG2 GLU C 116 18.411 7.700 -24.107 1.00 0.00 H new ATOM 0 HG3 GLU C 116 18.861 6.635 -25.424 1.00 0.00 H new ATOM 422 N LEU C 117 22.582 4.988 -23.078 1.00 0.00 N ATOM 423 CA LEU C 117 23.677 4.423 -22.223 1.00 0.00 C ATOM 424 C LEU C 117 24.906 5.337 -22.251 1.00 0.00 C ATOM 425 O LEU C 117 25.439 5.671 -21.206 1.00 0.00 O ATOM 426 CB LEU C 117 24.032 3.042 -22.816 1.00 0.00 C ATOM 427 CG LEU C 117 22.838 2.067 -22.714 1.00 0.00 C ATOM 428 CD1 LEU C 117 23.268 0.683 -23.192 1.00 0.00 C ATOM 429 CD2 LEU C 117 22.375 1.964 -21.255 1.00 0.00 C ATOM 0 H LEU C 117 22.346 4.440 -23.905 1.00 0.00 H new ATOM 0 HA LEU C 117 23.355 4.339 -21.185 1.00 0.00 H new ATOM 0 HB2 LEU C 117 24.324 3.156 -23.860 1.00 0.00 H new ATOM 0 HB3 LEU C 117 24.890 2.626 -22.288 1.00 0.00 H new ATOM 0 HG LEU C 117 22.022 2.439 -23.334 1.00 0.00 H new ATOM 0 HD11 LEU C 117 22.426 -0.005 -23.120 1.00 0.00 H new ATOM 0 HD12 LEU C 117 23.600 0.743 -24.228 1.00 0.00 H new ATOM 0 HD13 LEU C 117 24.086 0.321 -22.569 1.00 0.00 H new ATOM 0 HD21 LEU C 117 21.533 1.275 -21.188 1.00 0.00 H new ATOM 0 HD22 LEU C 117 23.195 1.596 -20.638 1.00 0.00 H new ATOM 0 HD23 LEU C 117 22.068 2.948 -20.900 1.00 0.00 H new ATOM 441 N LYS C 118 25.339 5.815 -23.424 1.00 0.00 N ATOM 442 CA LYS C 118 26.530 6.747 -23.401 1.00 0.00 C ATOM 443 C LYS C 118 26.181 8.024 -22.636 1.00 0.00 C ATOM 444 O LYS C 118 26.950 8.473 -21.807 1.00 0.00 O ATOM 445 CB LYS C 118 27.019 7.045 -24.868 1.00 0.00 C ATOM 446 CG LYS C 118 25.878 7.430 -25.837 1.00 0.00 C ATOM 447 CD LYS C 118 25.648 8.963 -25.819 1.00 0.00 C ATOM 448 CE LYS C 118 26.624 9.689 -26.777 1.00 0.00 C ATOM 449 NZ LYS C 118 26.180 9.351 -28.153 1.00 0.00 N1+ ATOM 0 H LYS C 118 24.941 5.610 -24.340 1.00 0.00 H new ATOM 0 HA LYS C 118 27.357 6.268 -22.877 1.00 0.00 H new ATOM 0 HB2 LYS C 118 27.749 7.854 -24.841 1.00 0.00 H new ATOM 0 HB3 LYS C 118 27.532 6.165 -25.256 1.00 0.00 H new ATOM 0 HG2 LYS C 118 26.125 7.105 -26.848 1.00 0.00 H new ATOM 0 HG3 LYS C 118 24.961 6.915 -25.552 1.00 0.00 H new ATOM 0 HD2 LYS C 118 24.620 9.182 -26.109 1.00 0.00 H new ATOM 0 HD3 LYS C 118 25.781 9.341 -24.805 1.00 0.00 H new ATOM 0 HE2 LYS C 118 26.601 10.766 -26.614 1.00 0.00 H new ATOM 0 HE3 LYS C 118 27.650 9.363 -26.608 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 26.143 10.217 -28.728 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 26.851 8.680 -28.579 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 25.235 8.919 -28.116 1.00 0.00 H new ATOM 463 N ILE C 119 24.985 8.563 -22.833 1.00 0.00 N ATOM 464 CA ILE C 119 24.577 9.774 -22.039 1.00 0.00 C ATOM 465 C ILE C 119 24.619 9.435 -20.535 1.00 0.00 C ATOM 466 O ILE C 119 25.091 10.220 -19.733 1.00 0.00 O ATOM 467 CB ILE C 119 23.134 10.129 -22.499 1.00 0.00 C ATOM 468 CG1 ILE C 119 23.141 10.518 -23.989 1.00 0.00 C ATOM 469 CG2 ILE C 119 22.593 11.315 -21.688 1.00 0.00 C ATOM 470 CD1 ILE C 119 21.706 10.716 -24.479 1.00 0.00 C ATOM 0 H ILE C 119 24.291 8.221 -23.497 1.00 0.00 H new ATOM 0 HA ILE C 119 25.245 10.620 -22.200 1.00 0.00 H new ATOM 0 HB ILE C 119 22.499 9.257 -22.342 1.00 0.00 H new ATOM 0 HG12 ILE C 119 23.714 11.434 -24.132 1.00 0.00 H new ATOM 0 HG13 ILE C 119 23.631 9.741 -24.575 1.00 0.00 H new ATOM 0 HG21 ILE C 119 21.583 11.552 -22.021 1.00 0.00 H new ATOM 0 HG22 ILE C 119 22.575 11.054 -20.630 1.00 0.00 H new ATOM 0 HG23 ILE C 119 23.237 12.182 -21.837 1.00 0.00 H new ATOM 0 HD11 ILE C 119 21.716 10.991 -25.534 1.00 0.00 H new ATOM 0 HD12 ILE C 119 21.147 9.789 -24.351 1.00 0.00 H new ATOM 0 HD13 ILE C 119 21.231 11.509 -23.902 1.00 0.00 H new ATOM 482 N MET C 120 24.165 8.253 -20.157 1.00 0.00 N ATOM 483 CA MET C 120 24.228 7.850 -18.707 1.00 0.00 C ATOM 484 C MET C 120 25.694 7.851 -18.249 1.00 0.00 C ATOM 485 O MET C 120 26.019 8.376 -17.190 1.00 0.00 O ATOM 486 CB MET C 120 23.654 6.419 -18.675 1.00 0.00 C ATOM 487 CG MET C 120 23.562 5.917 -17.229 1.00 0.00 C ATOM 488 SD MET C 120 22.274 6.836 -16.350 1.00 0.00 S ATOM 489 CE MET C 120 23.364 7.623 -15.132 1.00 0.00 C ATOM 0 H MET C 120 23.758 7.558 -20.783 1.00 0.00 H new ATOM 0 HA MET C 120 23.677 8.523 -18.050 1.00 0.00 H new ATOM 0 HB2 MET C 120 22.666 6.405 -19.136 1.00 0.00 H new ATOM 0 HB3 MET C 120 24.288 5.752 -19.259 1.00 0.00 H new ATOM 0 HG2 MET C 120 23.335 4.851 -17.217 1.00 0.00 H new ATOM 0 HG3 MET C 120 24.521 6.045 -16.727 1.00 0.00 H new ATOM 0 HE1 MET C 120 22.761 8.122 -14.373 1.00 0.00 H new ATOM 0 HE2 MET C 120 23.988 6.865 -14.659 1.00 0.00 H new ATOM 0 HE3 MET C 120 23.999 8.355 -15.631 1.00 0.00 H new ATOM 499 N LEU C 121 26.588 7.314 -19.044 1.00 0.00 N ATOM 500 CA LEU C 121 28.038 7.340 -18.654 1.00 0.00 C ATOM 501 C LEU C 121 28.569 8.781 -18.665 1.00 0.00 C ATOM 502 O LEU C 121 29.290 9.187 -17.768 1.00 0.00 O ATOM 503 CB LEU C 121 28.781 6.467 -19.670 1.00 0.00 C ATOM 504 CG LEU C 121 28.230 5.020 -19.669 1.00 0.00 C ATOM 505 CD1 LEU C 121 29.152 4.128 -20.487 1.00 0.00 C ATOM 506 CD2 LEU C 121 28.159 4.471 -18.239 1.00 0.00 C ATOM 0 H LEU C 121 26.383 6.863 -19.936 1.00 0.00 H new ATOM 0 HA LEU C 121 28.184 6.959 -17.643 1.00 0.00 H new ATOM 0 HB2 LEU C 121 28.680 6.897 -20.666 1.00 0.00 H new ATOM 0 HB3 LEU C 121 29.845 6.455 -19.434 1.00 0.00 H new ATOM 0 HG LEU C 121 27.229 5.031 -20.100 1.00 0.00 H new ATOM 0 HD11 LEU C 121 28.766 3.109 -20.488 1.00 0.00 H new ATOM 0 HD12 LEU C 121 29.202 4.498 -21.511 1.00 0.00 H new ATOM 0 HD13 LEU C 121 30.150 4.138 -20.049 1.00 0.00 H new ATOM 0 HD21 LEU C 121 27.769 3.453 -18.259 1.00 0.00 H new ATOM 0 HD22 LEU C 121 29.157 4.469 -17.800 1.00 0.00 H new ATOM 0 HD23 LEU C 121 27.500 5.100 -17.640 1.00 0.00 H new ATOM 518 N GLN C 122 28.156 9.586 -19.625 1.00 0.00 N ATOM 519 CA GLN C 122 28.582 11.036 -19.627 1.00 0.00 C ATOM 520 C GLN C 122 28.062 11.745 -18.363 1.00 0.00 C ATOM 521 O GLN C 122 28.754 12.570 -17.796 1.00 0.00 O ATOM 522 CB GLN C 122 27.974 11.660 -20.900 1.00 0.00 C ATOM 523 CG GLN C 122 28.655 11.066 -22.151 1.00 0.00 C ATOM 524 CD GLN C 122 28.114 11.753 -23.404 1.00 0.00 C ATOM 525 OE1 GLN C 122 27.534 11.112 -24.265 1.00 0.00 O ATOM 526 NE2 GLN C 122 28.257 13.037 -23.547 1.00 0.00 N ATOM 0 H GLN C 122 27.551 9.309 -20.398 1.00 0.00 H new ATOM 0 HA GLN C 122 29.667 11.137 -19.624 1.00 0.00 H new ATOM 0 HB2 GLN C 122 26.901 11.468 -20.933 1.00 0.00 H new ATOM 0 HB3 GLN C 122 28.104 12.742 -20.883 1.00 0.00 H new ATOM 0 HG2 GLN C 122 29.735 11.200 -22.088 1.00 0.00 H new ATOM 0 HG3 GLN C 122 28.470 9.993 -22.203 1.00 0.00 H new ATOM 0 HE21 GLN C 122 28.741 13.579 -22.831 1.00 0.00 H new ATOM 0 HE22 GLN C 122 27.885 13.502 -24.375 1.00 0.00 H new ATOM 535 N ALA C 123 26.877 11.384 -17.880 1.00 0.00 N ATOM 536 CA ALA C 123 26.358 11.986 -16.587 1.00 0.00 C ATOM 537 C ALA C 123 27.214 11.463 -15.436 1.00 0.00 C ATOM 538 O ALA C 123 27.504 12.167 -14.496 1.00 0.00 O ATOM 539 CB ALA C 123 24.916 11.482 -16.440 1.00 0.00 C ATOM 0 H ALA C 123 26.254 10.707 -18.320 1.00 0.00 H new ATOM 0 HA ALA C 123 26.396 13.075 -16.585 1.00 0.00 H new ATOM 0 HB1 ALA C 123 24.483 11.882 -15.523 1.00 0.00 H new ATOM 0 HB2 ALA C 123 24.326 11.813 -17.295 1.00 0.00 H new ATOM 0 HB3 ALA C 123 24.914 10.393 -16.398 1.00 0.00 H new ATOM 545 N THR C 124 27.631 10.232 -15.540 1.00 0.00 N ATOM 546 CA THR C 124 28.520 9.614 -14.518 1.00 0.00 C ATOM 547 C THR C 124 29.878 10.384 -14.485 1.00 0.00 C ATOM 548 O THR C 124 30.480 10.550 -13.440 1.00 0.00 O ATOM 549 CB THR C 124 28.694 8.156 -15.005 1.00 0.00 C ATOM 550 OG1 THR C 124 27.405 7.533 -15.185 1.00 0.00 O ATOM 551 CG2 THR C 124 29.469 7.368 -13.977 1.00 0.00 C ATOM 0 H THR C 124 27.385 9.613 -16.312 1.00 0.00 H new ATOM 0 HA THR C 124 28.122 9.649 -13.504 1.00 0.00 H new ATOM 0 HB THR C 124 29.230 8.168 -15.954 1.00 0.00 H new ATOM 0 HG1 THR C 124 27.051 7.763 -16.069 1.00 0.00 H new ATOM 0 HG21 THR C 124 29.591 6.341 -14.322 1.00 0.00 H new ATOM 0 HG22 THR C 124 30.450 7.822 -13.835 1.00 0.00 H new ATOM 0 HG23 THR C 124 28.927 7.372 -13.031 1.00 0.00 H new ATOM 559 N GLY C 125 30.342 10.862 -15.622 1.00 0.00 N ATOM 560 CA GLY C 125 31.616 11.646 -15.660 1.00 0.00 C ATOM 561 C GLY C 125 32.842 10.729 -15.800 1.00 0.00 C ATOM 562 O GLY C 125 33.943 11.115 -15.434 1.00 0.00 O ATOM 0 H GLY C 125 29.887 10.740 -16.527 1.00 0.00 H new ATOM 0 HA2 GLY C 125 31.588 12.346 -16.495 1.00 0.00 H new ATOM 0 HA3 GLY C 125 31.706 12.238 -14.750 1.00 0.00 H new ATOM 566 N GLU C 126 32.693 9.558 -16.378 1.00 0.00 N ATOM 567 CA GLU C 126 33.893 8.672 -16.617 1.00 0.00 C ATOM 568 C GLU C 126 34.164 8.608 -18.124 1.00 0.00 C ATOM 569 O GLU C 126 33.262 8.797 -18.927 1.00 0.00 O ATOM 570 CB GLU C 126 33.518 7.282 -16.091 1.00 0.00 C ATOM 571 CG GLU C 126 33.258 7.330 -14.580 1.00 0.00 C ATOM 572 CD GLU C 126 33.132 5.916 -14.055 1.00 0.00 C ATOM 573 OE1 GLU C 126 32.124 5.303 -14.277 1.00 0.00 O1- ATOM 574 OE2 GLU C 126 34.061 5.460 -13.447 1.00 0.00 O ATOM 0 H GLU C 126 31.802 9.175 -16.694 1.00 0.00 H new ATOM 0 HA GLU C 126 34.786 9.047 -16.118 1.00 0.00 H new ATOM 0 HB2 GLU C 126 32.629 6.919 -16.607 1.00 0.00 H new ATOM 0 HB3 GLU C 126 34.321 6.577 -16.305 1.00 0.00 H new ATOM 0 HG2 GLU C 126 34.073 7.848 -14.074 1.00 0.00 H new ATOM 0 HG3 GLU C 126 32.347 7.891 -14.373 1.00 0.00 H new ATOM 581 N THR C 127 35.379 8.329 -18.520 1.00 0.00 N ATOM 582 CA THR C 127 35.676 8.227 -19.991 1.00 0.00 C ATOM 583 C THR C 127 35.110 6.889 -20.507 1.00 0.00 C ATOM 584 O THR C 127 35.553 5.823 -20.096 1.00 0.00 O ATOM 585 CB THR C 127 37.225 8.242 -20.100 1.00 0.00 C ATOM 586 OG1 THR C 127 37.815 7.693 -18.911 1.00 0.00 O ATOM 587 CG2 THR C 127 37.718 9.681 -20.286 1.00 0.00 C ATOM 0 H THR C 127 36.174 8.168 -17.901 1.00 0.00 H new ATOM 0 HA THR C 127 35.234 9.034 -20.576 1.00 0.00 H new ATOM 0 HB THR C 127 37.518 7.637 -20.958 1.00 0.00 H new ATOM 0 HG1 THR C 127 38.791 7.707 -18.994 1.00 0.00 H new ATOM 0 HG21 THR C 127 38.805 9.686 -20.362 1.00 0.00 H new ATOM 0 HG22 THR C 127 37.289 10.098 -21.197 1.00 0.00 H new ATOM 0 HG23 THR C 127 37.411 10.284 -19.431 1.00 0.00 H new ATOM 595 N ILE C 128 34.147 6.941 -21.390 1.00 0.00 N ATOM 596 CA ILE C 128 33.528 5.686 -21.929 1.00 0.00 C ATOM 597 C ILE C 128 33.569 5.697 -23.466 1.00 0.00 C ATOM 598 O ILE C 128 33.701 6.762 -24.087 1.00 0.00 O ATOM 599 CB ILE C 128 32.073 5.683 -21.393 1.00 0.00 C ATOM 600 CG1 ILE C 128 31.235 6.886 -21.979 1.00 0.00 C ATOM 601 CG2 ILE C 128 32.087 5.704 -19.847 1.00 0.00 C ATOM 602 CD1 ILE C 128 31.223 8.110 -21.036 1.00 0.00 C ATOM 0 H ILE C 128 33.757 7.805 -21.766 1.00 0.00 H new ATOM 0 HA ILE C 128 34.060 4.788 -21.615 1.00 0.00 H new ATOM 0 HB ILE C 128 31.583 4.768 -21.726 1.00 0.00 H new ATOM 0 HG12 ILE C 128 31.650 7.178 -22.944 1.00 0.00 H new ATOM 0 HG13 ILE C 128 30.211 6.559 -22.158 1.00 0.00 H new ATOM 0 HG21 ILE C 128 31.063 5.702 -19.474 1.00 0.00 H new ATOM 0 HG22 ILE C 128 32.610 4.823 -19.476 1.00 0.00 H new ATOM 0 HG23 ILE C 128 32.598 6.602 -19.500 1.00 0.00 H new ATOM 0 HD11 ILE C 128 30.634 8.909 -21.485 1.00 0.00 H new ATOM 0 HD12 ILE C 128 30.783 7.828 -20.079 1.00 0.00 H new ATOM 0 HD13 ILE C 128 32.244 8.457 -20.877 1.00 0.00 H new ATOM 614 N THR C 129 33.443 4.561 -24.076 1.00 0.00 N ATOM 615 CA THR C 129 33.452 4.475 -25.567 1.00 0.00 C ATOM 616 C THR C 129 32.088 3.896 -25.986 1.00 0.00 C ATOM 617 O THR C 129 31.616 2.940 -25.397 1.00 0.00 O ATOM 618 CB THR C 129 34.578 3.451 -25.893 1.00 0.00 C ATOM 619 OG1 THR C 129 35.653 3.579 -24.953 1.00 0.00 O ATOM 620 CG2 THR C 129 35.124 3.697 -27.308 1.00 0.00 C ATOM 0 H THR C 129 33.331 3.666 -23.600 1.00 0.00 H new ATOM 0 HA THR C 129 33.616 5.427 -26.071 1.00 0.00 H new ATOM 0 HB THR C 129 34.156 2.448 -25.831 1.00 0.00 H new ATOM 0 HG1 THR C 129 35.444 3.065 -24.145 1.00 0.00 H new ATOM 0 HG21 THR C 129 35.911 2.975 -27.525 1.00 0.00 H new ATOM 0 HG22 THR C 129 34.318 3.585 -28.034 1.00 0.00 H new ATOM 0 HG23 THR C 129 35.530 4.706 -27.371 1.00 0.00 H new ATOM 628 N GLU C 130 31.465 4.417 -27.013 1.00 0.00 N ATOM 629 CA GLU C 130 30.143 3.828 -27.430 1.00 0.00 C ATOM 630 C GLU C 130 30.304 2.340 -27.774 1.00 0.00 C ATOM 631 O GLU C 130 29.393 1.559 -27.558 1.00 0.00 O ATOM 632 CB GLU C 130 29.636 4.644 -28.630 1.00 0.00 C ATOM 633 CG GLU C 130 29.259 6.072 -28.157 1.00 0.00 C ATOM 634 CD GLU C 130 28.624 6.880 -29.294 1.00 0.00 C ATOM 635 OE1 GLU C 130 28.654 6.452 -30.423 1.00 0.00 O ATOM 636 OE2 GLU C 130 28.091 7.918 -29.005 1.00 0.00 O1- ATOM 0 H GLU C 130 31.798 5.203 -27.571 1.00 0.00 H new ATOM 0 HA GLU C 130 29.416 3.880 -26.619 1.00 0.00 H new ATOM 0 HB2 GLU C 130 30.405 4.695 -29.401 1.00 0.00 H new ATOM 0 HB3 GLU C 130 28.770 4.156 -29.076 1.00 0.00 H new ATOM 0 HG2 GLU C 130 28.565 6.009 -27.319 1.00 0.00 H new ATOM 0 HG3 GLU C 130 30.150 6.586 -27.795 1.00 0.00 H new ATOM 643 N ASP C 131 31.461 1.938 -28.271 1.00 0.00 N ATOM 644 CA ASP C 131 31.683 0.480 -28.595 1.00 0.00 C ATOM 645 C ASP C 131 31.549 -0.373 -27.316 1.00 0.00 C ATOM 646 O ASP C 131 30.859 -1.376 -27.323 1.00 0.00 O ATOM 647 CB ASP C 131 33.133 0.371 -29.124 1.00 0.00 C ATOM 648 CG ASP C 131 33.335 1.258 -30.327 1.00 0.00 C ATOM 649 OD1 ASP C 131 32.721 1.025 -31.337 1.00 0.00 O1- ATOM 650 OD2 ASP C 131 34.101 2.179 -30.219 1.00 0.00 O ATOM 0 H ASP C 131 32.254 2.550 -28.465 1.00 0.00 H new ATOM 0 HA ASP C 131 30.953 0.125 -29.323 1.00 0.00 H new ATOM 0 HB2 ASP C 131 33.833 0.653 -28.338 1.00 0.00 H new ATOM 0 HB3 ASP C 131 33.351 -0.664 -29.389 1.00 0.00 H new ATOM 655 N ASP C 132 32.150 0.049 -26.185 1.00 0.00 N ATOM 656 CA ASP C 132 31.970 -0.769 -24.922 1.00 0.00 C ATOM 657 C ASP C 132 30.510 -0.709 -24.474 1.00 0.00 C ATOM 658 O ASP C 132 29.918 -1.729 -24.130 1.00 0.00 O ATOM 659 CB ASP C 132 32.978 -0.268 -23.818 1.00 0.00 C ATOM 660 CG ASP C 132 32.723 1.154 -23.315 1.00 0.00 C ATOM 661 OD1 ASP C 132 31.701 1.390 -22.710 1.00 0.00 O1- ATOM 662 OD2 ASP C 132 33.607 1.972 -23.488 1.00 0.00 O ATOM 0 H ASP C 132 32.727 0.885 -26.096 1.00 0.00 H new ATOM 0 HA ASP C 132 32.201 -1.818 -25.109 1.00 0.00 H new ATOM 0 HB2 ASP C 132 32.935 -0.951 -22.970 1.00 0.00 H new ATOM 0 HB3 ASP C 132 33.990 -0.320 -24.219 1.00 0.00 H new ATOM 667 N ILE C 133 29.890 0.442 -24.583 1.00 0.00 N ATOM 668 CA ILE C 133 28.431 0.559 -24.262 1.00 0.00 C ATOM 669 C ILE C 133 27.615 -0.369 -25.178 1.00 0.00 C ATOM 670 O ILE C 133 26.649 -0.994 -24.734 1.00 0.00 O ATOM 671 CB ILE C 133 28.097 2.052 -24.475 1.00 0.00 C ATOM 672 CG1 ILE C 133 28.763 2.867 -23.361 1.00 0.00 C ATOM 673 CG2 ILE C 133 26.588 2.289 -24.443 1.00 0.00 C ATOM 674 CD1 ILE C 133 29.347 4.147 -23.924 1.00 0.00 C ATOM 0 H ILE C 133 30.334 1.310 -24.882 1.00 0.00 H new ATOM 0 HA ILE C 133 28.187 0.253 -23.245 1.00 0.00 H new ATOM 0 HB ILE C 133 28.469 2.361 -25.452 1.00 0.00 H new ATOM 0 HG12 ILE C 133 28.033 3.102 -22.587 1.00 0.00 H new ATOM 0 HG13 ILE C 133 29.549 2.277 -22.889 1.00 0.00 H new ATOM 0 HG21 ILE C 133 26.383 3.349 -24.596 1.00 0.00 H new ATOM 0 HG22 ILE C 133 26.112 1.710 -25.234 1.00 0.00 H new ATOM 0 HG23 ILE C 133 26.191 1.978 -23.477 1.00 0.00 H new ATOM 0 HD11 ILE C 133 29.817 4.716 -23.122 1.00 0.00 H new ATOM 0 HD12 ILE C 133 30.092 3.905 -24.682 1.00 0.00 H new ATOM 0 HD13 ILE C 133 28.553 4.742 -24.374 1.00 0.00 H new ATOM 686 N GLU C 134 28.003 -0.498 -26.430 1.00 0.00 N ATOM 687 CA GLU C 134 27.271 -1.424 -27.343 1.00 0.00 C ATOM 688 C GLU C 134 27.389 -2.856 -26.810 1.00 0.00 C ATOM 689 O GLU C 134 26.397 -3.570 -26.731 1.00 0.00 O ATOM 690 CB GLU C 134 27.976 -1.304 -28.716 1.00 0.00 C ATOM 691 CG GLU C 134 27.019 -0.685 -29.744 1.00 0.00 C ATOM 692 CD GLU C 134 26.270 -1.792 -30.439 1.00 0.00 C ATOM 693 OE1 GLU C 134 25.256 -2.217 -29.932 1.00 0.00 O ATOM 694 OE2 GLU C 134 26.736 -2.250 -31.462 1.00 0.00 O1- ATOM 0 H GLU C 134 28.790 -0.003 -26.851 1.00 0.00 H new ATOM 0 HA GLU C 134 26.212 -1.179 -27.418 1.00 0.00 H new ATOM 0 HB2 GLU C 134 28.870 -0.688 -28.622 1.00 0.00 H new ATOM 0 HB3 GLU C 134 28.300 -2.288 -29.055 1.00 0.00 H new ATOM 0 HG2 GLU C 134 26.321 -0.009 -29.250 1.00 0.00 H new ATOM 0 HG3 GLU C 134 27.576 -0.093 -30.470 1.00 0.00 H new ATOM 701 N GLU C 135 28.567 -3.280 -26.400 1.00 0.00 N ATOM 702 CA GLU C 135 28.687 -4.683 -25.850 1.00 0.00 C ATOM 703 C GLU C 135 27.837 -4.816 -24.614 1.00 0.00 C ATOM 704 O GLU C 135 27.144 -5.812 -24.430 1.00 0.00 O ATOM 705 CB GLU C 135 30.152 -4.867 -25.468 1.00 0.00 C ATOM 706 CG GLU C 135 31.011 -4.815 -26.719 1.00 0.00 C ATOM 707 CD GLU C 135 30.499 -5.830 -27.746 1.00 0.00 C ATOM 708 OE1 GLU C 135 30.440 -6.999 -27.417 1.00 0.00 O1- ATOM 709 OE2 GLU C 135 30.151 -5.426 -28.824 1.00 0.00 O ATOM 0 H GLU C 135 29.430 -2.736 -26.419 1.00 0.00 H new ATOM 0 HA GLU C 135 28.360 -5.424 -26.579 1.00 0.00 H new ATOM 0 HB2 GLU C 135 30.458 -4.087 -24.771 1.00 0.00 H new ATOM 0 HB3 GLU C 135 30.289 -5.821 -24.959 1.00 0.00 H new ATOM 0 HG2 GLU C 135 30.989 -3.812 -27.144 1.00 0.00 H new ATOM 0 HG3 GLU C 135 32.049 -5.032 -26.467 1.00 0.00 H new ATOM 716 N LEU C 136 27.834 -3.807 -23.773 1.00 0.00 N ATOM 717 CA LEU C 136 26.972 -3.878 -22.559 1.00 0.00 C ATOM 718 C LEU C 136 25.497 -3.901 -22.992 1.00 0.00 C ATOM 719 O LEU C 136 24.689 -4.629 -22.441 1.00 0.00 O ATOM 720 CB LEU C 136 27.297 -2.629 -21.710 1.00 0.00 C ATOM 721 CG LEU C 136 28.807 -2.613 -21.330 1.00 0.00 C ATOM 722 CD1 LEU C 136 29.097 -1.489 -20.345 1.00 0.00 C ATOM 723 CD2 LEU C 136 29.223 -3.955 -20.711 1.00 0.00 C ATOM 0 H LEU C 136 28.383 -2.953 -23.875 1.00 0.00 H new ATOM 0 HA LEU C 136 27.155 -4.779 -21.974 1.00 0.00 H new ATOM 0 HB2 LEU C 136 27.045 -1.727 -22.267 1.00 0.00 H new ATOM 0 HB3 LEU C 136 26.687 -2.626 -20.806 1.00 0.00 H new ATOM 0 HG LEU C 136 29.382 -2.448 -22.241 1.00 0.00 H new ATOM 0 HD11 LEU C 136 30.157 -1.493 -20.090 1.00 0.00 H new ATOM 0 HD12 LEU C 136 28.836 -0.532 -20.797 1.00 0.00 H new ATOM 0 HD13 LEU C 136 28.506 -1.636 -19.441 1.00 0.00 H new ATOM 0 HD21 LEU C 136 30.281 -3.924 -20.452 1.00 0.00 H new ATOM 0 HD22 LEU C 136 28.635 -4.139 -19.812 1.00 0.00 H new ATOM 0 HD23 LEU C 136 29.048 -4.756 -21.429 1.00 0.00 H new ATOM 735 N MET C 137 25.160 -3.148 -24.024 1.00 0.00 N ATOM 736 CA MET C 137 23.759 -3.168 -24.566 1.00 0.00 C ATOM 737 C MET C 137 23.405 -4.586 -25.029 1.00 0.00 C ATOM 738 O MET C 137 22.321 -5.074 -24.772 1.00 0.00 O ATOM 739 CB MET C 137 23.791 -2.176 -25.765 1.00 0.00 C ATOM 740 CG MET C 137 22.707 -2.509 -26.816 1.00 0.00 C ATOM 741 SD MET C 137 21.064 -2.285 -26.091 1.00 0.00 S ATOM 742 CE MET C 137 20.870 -0.534 -26.492 1.00 0.00 C ATOM 0 H MET C 137 25.799 -2.521 -24.512 1.00 0.00 H new ATOM 0 HA MET C 137 23.009 -2.883 -23.828 1.00 0.00 H new ATOM 0 HB2 MET C 137 23.643 -1.160 -25.400 1.00 0.00 H new ATOM 0 HB3 MET C 137 24.774 -2.206 -26.235 1.00 0.00 H new ATOM 0 HG2 MET C 137 22.821 -1.864 -27.687 1.00 0.00 H new ATOM 0 HG3 MET C 137 22.825 -3.536 -27.162 1.00 0.00 H new ATOM 0 HE1 MET C 137 20.215 -0.063 -25.759 1.00 0.00 H new ATOM 0 HE2 MET C 137 21.845 -0.046 -26.474 1.00 0.00 H new ATOM 0 HE3 MET C 137 20.433 -0.435 -27.485 1.00 0.00 H new ATOM 752 N LYS C 138 24.309 -5.235 -25.709 1.00 0.00 N ATOM 753 CA LYS C 138 24.040 -6.632 -26.205 1.00 0.00 C ATOM 754 C LYS C 138 23.795 -7.563 -25.017 1.00 0.00 C ATOM 755 O LYS C 138 22.879 -8.381 -25.050 1.00 0.00 O ATOM 756 CB LYS C 138 25.307 -7.010 -26.971 1.00 0.00 C ATOM 757 CG LYS C 138 25.431 -6.056 -28.169 1.00 0.00 C ATOM 758 CD LYS C 138 26.797 -6.188 -28.832 1.00 0.00 C ATOM 759 CE LYS C 138 27.129 -4.840 -29.489 1.00 0.00 C ATOM 760 NZ LYS C 138 26.177 -4.694 -30.623 1.00 0.00 N1+ ATOM 0 H LYS C 138 25.229 -4.864 -25.948 1.00 0.00 H new ATOM 0 HA LYS C 138 23.155 -6.706 -26.837 1.00 0.00 H new ATOM 0 HB2 LYS C 138 26.182 -6.930 -26.326 1.00 0.00 H new ATOM 0 HB3 LYS C 138 25.255 -8.045 -27.310 1.00 0.00 H new ATOM 0 HG2 LYS C 138 24.648 -6.274 -28.895 1.00 0.00 H new ATOM 0 HG3 LYS C 138 25.281 -5.028 -27.837 1.00 0.00 H new ATOM 0 HD2 LYS C 138 27.556 -6.452 -28.095 1.00 0.00 H new ATOM 0 HD3 LYS C 138 26.785 -6.984 -29.577 1.00 0.00 H new ATOM 0 HE2 LYS C 138 27.018 -4.021 -28.778 1.00 0.00 H new ATOM 0 HE3 LYS C 138 28.161 -4.820 -29.840 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 26.564 -4.023 -31.317 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 26.034 -5.619 -31.077 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 25.267 -4.338 -30.268 1.00 0.00 H new ATOM 774 N ASP C 139 24.556 -7.407 -23.930 1.00 0.00 N ATOM 775 CA ASP C 139 24.271 -8.242 -22.705 1.00 0.00 C ATOM 776 C ASP C 139 22.902 -7.875 -22.148 1.00 0.00 C ATOM 777 O ASP C 139 22.151 -8.728 -21.760 1.00 0.00 O ATOM 778 CB ASP C 139 25.347 -7.909 -21.660 1.00 0.00 C ATOM 779 CG ASP C 139 25.126 -8.797 -20.441 1.00 0.00 C ATOM 780 OD1 ASP C 139 25.610 -9.900 -20.445 1.00 0.00 O ATOM 781 OD2 ASP C 139 24.452 -8.375 -19.539 1.00 0.00 O1- ATOM 0 H ASP C 139 25.337 -6.756 -23.847 1.00 0.00 H new ATOM 0 HA ASP C 139 24.281 -9.304 -22.951 1.00 0.00 H new ATOM 0 HB2 ASP C 139 26.342 -8.074 -22.074 1.00 0.00 H new ATOM 0 HB3 ASP C 139 25.290 -6.858 -21.379 1.00 0.00 H new ATOM 786 N GLY C 140 22.581 -6.609 -22.082 1.00 0.00 N ATOM 787 CA GLY C 140 21.242 -6.196 -21.550 1.00 0.00 C ATOM 788 C GLY C 140 20.131 -6.661 -22.492 1.00 0.00 C ATOM 789 O GLY C 140 19.033 -6.995 -22.059 1.00 0.00 O ATOM 0 H GLY C 140 23.186 -5.841 -22.373 1.00 0.00 H new ATOM 0 HA2 GLY C 140 21.090 -6.622 -20.558 1.00 0.00 H new ATOM 0 HA3 GLY C 140 21.205 -5.112 -21.440 1.00 0.00 H new ATOM 793 N ASP C 141 20.375 -6.628 -23.784 1.00 0.00 N ATOM 794 CA ASP C 141 19.313 -7.008 -24.769 1.00 0.00 C ATOM 795 C ASP C 141 19.127 -8.541 -24.798 1.00 0.00 C ATOM 796 O ASP C 141 19.506 -9.208 -25.752 1.00 0.00 O ATOM 797 CB ASP C 141 19.859 -6.495 -26.123 1.00 0.00 C ATOM 798 CG ASP C 141 18.824 -6.586 -27.221 1.00 0.00 C ATOM 799 OD1 ASP C 141 17.650 -6.522 -26.938 1.00 0.00 O1- ATOM 800 OD2 ASP C 141 19.204 -6.673 -28.335 1.00 0.00 O ATOM 0 H ASP C 141 21.266 -6.353 -24.197 1.00 0.00 H new ATOM 0 HA ASP C 141 18.338 -6.586 -24.525 1.00 0.00 H new ATOM 0 HB2 ASP C 141 20.183 -5.460 -26.015 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.737 -7.076 -26.404 1.00 0.00 H new ATOM 805 N LYS C 142 18.483 -9.096 -23.796 1.00 0.00 N ATOM 806 CA LYS C 142 18.212 -10.594 -23.782 1.00 0.00 C ATOM 807 C LYS C 142 17.357 -11.006 -24.991 1.00 0.00 C ATOM 808 O LYS C 142 17.511 -12.087 -25.520 1.00 0.00 O ATOM 809 CB LYS C 142 17.432 -10.882 -22.480 1.00 0.00 C ATOM 810 CG LYS C 142 18.294 -10.577 -21.245 1.00 0.00 C ATOM 811 CD LYS C 142 19.407 -11.640 -21.107 1.00 0.00 C ATOM 812 CE LYS C 142 20.768 -10.996 -21.392 1.00 0.00 C ATOM 813 NZ LYS C 142 21.219 -10.381 -20.109 1.00 0.00 N1+ ATOM 0 H LYS C 142 18.130 -8.588 -22.985 1.00 0.00 H new ATOM 0 HA LYS C 142 19.146 -11.154 -23.832 1.00 0.00 H new ATOM 0 HB2 LYS C 142 16.525 -10.278 -22.454 1.00 0.00 H new ATOM 0 HB3 LYS C 142 17.120 -11.926 -22.462 1.00 0.00 H new ATOM 0 HG2 LYS C 142 18.736 -9.585 -21.335 1.00 0.00 H new ATOM 0 HG3 LYS C 142 17.673 -10.570 -20.349 1.00 0.00 H new ATOM 0 HD2 LYS C 142 19.397 -12.064 -20.103 1.00 0.00 H new ATOM 0 HD3 LYS C 142 19.229 -12.461 -21.802 1.00 0.00 H new ATOM 0 HE2 LYS C 142 21.485 -11.740 -21.739 1.00 0.00 H new ATOM 0 HE3 LYS C 142 20.685 -10.243 -22.176 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 21.783 -9.531 -20.311 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 20.389 -10.119 -19.539 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 21.800 -11.064 -19.582 1.00 0.00 H new ATOM 827 N ASN C 143 16.432 -10.167 -25.402 1.00 0.00 N ATOM 828 CA ASN C 143 15.535 -10.529 -26.564 1.00 0.00 C ATOM 829 C ASN C 143 16.213 -10.250 -27.935 1.00 0.00 C ATOM 830 O ASN C 143 15.625 -10.512 -28.972 1.00 0.00 O ATOM 831 CB ASN C 143 14.270 -9.671 -26.376 1.00 0.00 C ATOM 832 CG ASN C 143 13.249 -9.990 -27.465 1.00 0.00 C ATOM 833 OD1 ASN C 143 12.824 -11.123 -27.608 1.00 0.00 O ATOM 834 ND2 ASN C 143 12.831 -9.040 -28.248 1.00 0.00 N ATOM 0 H ASN C 143 16.256 -9.251 -24.989 1.00 0.00 H new ATOM 0 HA ASN C 143 15.308 -11.595 -26.574 1.00 0.00 H new ATOM 0 HB2 ASN C 143 13.836 -9.860 -25.394 1.00 0.00 H new ATOM 0 HB3 ASN C 143 14.531 -8.613 -26.411 1.00 0.00 H new ATOM 0 HD21 ASN C 143 12.150 -9.244 -28.979 1.00 0.00 H new ATOM 0 HD22 ASN C 143 13.184 -8.090 -28.131 1.00 0.00 H new ATOM 841 N ASN C 144 17.448 -9.743 -27.951 1.00 0.00 N ATOM 842 CA ASN C 144 18.188 -9.465 -29.256 1.00 0.00 C ATOM 843 C ASN C 144 17.351 -8.533 -30.167 1.00 0.00 C ATOM 844 O ASN C 144 17.288 -8.700 -31.370 1.00 0.00 O ATOM 845 CB ASN C 144 18.411 -10.850 -29.913 1.00 0.00 C ATOM 846 CG ASN C 144 19.564 -10.784 -30.930 1.00 0.00 C ATOM 847 OD1 ASN C 144 19.414 -11.195 -32.063 1.00 0.00 O ATOM 848 ND2 ASN C 144 20.723 -10.314 -30.573 1.00 0.00 N ATOM 0 H ASN C 144 17.977 -9.509 -27.111 1.00 0.00 H new ATOM 0 HA ASN C 144 19.136 -8.955 -29.087 1.00 0.00 H new ATOM 0 HB2 ASN C 144 18.637 -11.591 -29.146 1.00 0.00 H new ATOM 0 HB3 ASN C 144 17.497 -11.174 -30.411 1.00 0.00 H new ATOM 0 HD21 ASN C 144 21.493 -10.294 -31.242 1.00 0.00 H new ATOM 0 HD22 ASN C 144 20.862 -9.966 -29.624 1.00 0.00 H new ATOM 855 N ASP C 145 16.751 -7.518 -29.584 1.00 0.00 N ATOM 856 CA ASP C 145 15.955 -6.497 -30.378 1.00 0.00 C ATOM 857 C ASP C 145 16.764 -5.201 -30.625 1.00 0.00 C ATOM 858 O ASP C 145 16.239 -4.248 -31.184 1.00 0.00 O ATOM 859 CB ASP C 145 14.670 -6.191 -29.547 1.00 0.00 C ATOM 860 CG ASP C 145 15.012 -5.865 -28.113 1.00 0.00 C ATOM 861 OD1 ASP C 145 15.535 -4.863 -27.842 1.00 0.00 O1- ATOM 862 OD2 ASP C 145 14.827 -6.668 -27.276 1.00 0.00 O ATOM 0 H ASP C 145 16.774 -7.344 -28.579 1.00 0.00 H new ATOM 0 HA ASP C 145 15.709 -6.894 -31.363 1.00 0.00 H new ATOM 0 HB2 ASP C 145 14.135 -5.354 -29.995 1.00 0.00 H new ATOM 0 HB3 ASP C 145 14.001 -7.051 -29.578 1.00 0.00 H new ATOM 867 N GLY C 146 18.018 -5.144 -30.224 1.00 0.00 N ATOM 868 CA GLY C 146 18.852 -3.915 -30.473 1.00 0.00 C ATOM 869 C GLY C 146 18.806 -2.931 -29.286 1.00 0.00 C ATOM 870 O GLY C 146 19.522 -1.937 -29.287 1.00 0.00 O ATOM 0 H GLY C 146 18.501 -5.897 -29.734 1.00 0.00 H new ATOM 0 HA2 GLY C 146 19.885 -4.210 -30.659 1.00 0.00 H new ATOM 0 HA3 GLY C 146 18.497 -3.413 -31.373 1.00 0.00 H new ATOM 874 N ARG C 147 17.967 -3.160 -28.290 1.00 0.00 N ATOM 875 CA ARG C 147 17.893 -2.203 -27.122 1.00 0.00 C ATOM 876 C ARG C 147 17.424 -2.943 -25.856 1.00 0.00 C ATOM 877 O ARG C 147 17.049 -4.153 -25.910 1.00 0.00 O ATOM 878 CB ARG C 147 16.909 -1.075 -27.559 1.00 0.00 C ATOM 879 CG ARG C 147 15.469 -1.605 -27.672 1.00 0.00 C ATOM 880 CD ARG C 147 14.674 -0.865 -28.783 1.00 0.00 C ATOM 881 NE ARG C 147 14.942 0.625 -28.660 1.00 0.00 N ATOM 882 CZ ARG C 147 14.220 1.465 -29.377 1.00 0.00 C ATOM 883 NH1 ARG C 147 14.104 1.267 -30.672 1.00 0.00 N1+ ATOM 884 NH2 ARG C 147 13.639 2.490 -28.804 1.00 0.00 N ATOM 0 H ARG C 147 17.336 -3.960 -28.235 1.00 0.00 H new ATOM 0 HA ARG C 147 18.864 -1.776 -26.870 1.00 0.00 H new ATOM 0 HB2 ARG C 147 16.943 -0.259 -26.837 1.00 0.00 H new ATOM 0 HB3 ARG C 147 17.225 -0.665 -28.518 1.00 0.00 H new ATOM 0 HG2 ARG C 147 15.490 -2.673 -27.888 1.00 0.00 H new ATOM 0 HG3 ARG C 147 14.959 -1.483 -26.716 1.00 0.00 H new ATOM 0 HD2 ARG C 147 14.976 -1.224 -29.767 1.00 0.00 H new ATOM 0 HD3 ARG C 147 13.608 -1.067 -28.683 1.00 0.00 H new ATOM 0 HE ARG C 147 15.669 0.971 -28.033 1.00 0.00 H new ATOM 0 HH11 ARG C 147 14.569 0.472 -31.110 1.00 0.00 H new ATOM 0 HH12 ARG C 147 13.549 1.909 -31.238 1.00 0.00 H new ATOM 0 HH21 ARG C 147 13.744 2.641 -27.801 1.00 0.00 H new ATOM 0 HH22 ARG C 147 13.082 3.137 -29.361 1.00 0.00 H new ATOM 898 N ILE C 148 17.440 -2.298 -24.719 1.00 0.00 N ATOM 899 CA ILE C 148 16.986 -3.005 -23.487 1.00 0.00 C ATOM 900 C ILE C 148 15.589 -2.492 -23.125 1.00 0.00 C ATOM 901 O ILE C 148 15.380 -1.315 -22.881 1.00 0.00 O ATOM 902 CB ILE C 148 18.020 -2.668 -22.383 1.00 0.00 C ATOM 903 CG1 ILE C 148 19.431 -3.031 -22.866 1.00 0.00 C ATOM 904 CG2 ILE C 148 17.716 -3.484 -21.113 1.00 0.00 C ATOM 905 CD1 ILE C 148 20.435 -2.607 -21.809 1.00 0.00 C ATOM 0 H ILE C 148 17.741 -1.332 -24.591 1.00 0.00 H new ATOM 0 HA ILE C 148 16.923 -4.086 -23.616 1.00 0.00 H new ATOM 0 HB ILE C 148 17.961 -1.602 -22.164 1.00 0.00 H new ATOM 0 HG12 ILE C 148 19.504 -4.103 -23.047 1.00 0.00 H new ATOM 0 HG13 ILE C 148 19.646 -2.533 -23.812 1.00 0.00 H new ATOM 0 HG21 ILE C 148 18.447 -3.242 -20.341 1.00 0.00 H new ATOM 0 HG22 ILE C 148 16.716 -3.240 -20.755 1.00 0.00 H new ATOM 0 HG23 ILE C 148 17.770 -4.548 -21.343 1.00 0.00 H new ATOM 0 HD11 ILE C 148 21.442 -2.860 -22.141 1.00 0.00 H new ATOM 0 HD12 ILE C 148 20.365 -1.531 -21.651 1.00 0.00 H new ATOM 0 HD13 ILE C 148 20.220 -3.125 -20.875 1.00 0.00 H new ATOM 917 N ASP C 149 14.651 -3.376 -23.106 1.00 0.00 N ATOM 918 CA ASP C 149 13.240 -3.040 -22.766 1.00 0.00 C ATOM 919 C ASP C 149 13.084 -3.129 -21.253 1.00 0.00 C ATOM 920 O ASP C 149 13.979 -3.590 -20.560 1.00 0.00 O ATOM 921 CB ASP C 149 12.380 -4.132 -23.457 1.00 0.00 C ATOM 922 CG ASP C 149 10.896 -3.729 -23.545 1.00 0.00 C ATOM 923 OD1 ASP C 149 10.515 -2.735 -22.984 1.00 0.00 O ATOM 924 OD2 ASP C 149 10.167 -4.423 -24.182 1.00 0.00 O1- ATOM 0 H ASP C 149 14.802 -4.362 -23.320 1.00 0.00 H new ATOM 0 HA ASP C 149 12.946 -2.041 -23.089 1.00 0.00 H new ATOM 0 HB2 ASP C 149 12.766 -4.316 -24.460 1.00 0.00 H new ATOM 0 HB3 ASP C 149 12.469 -5.067 -22.904 1.00 0.00 H new ATOM 929 N TYR C 150 11.973 -2.711 -20.740 1.00 0.00 N ATOM 930 CA TYR C 150 11.731 -2.766 -19.262 1.00 0.00 C ATOM 931 C TYR C 150 11.964 -4.199 -18.730 1.00 0.00 C ATOM 932 O TYR C 150 12.672 -4.390 -17.745 1.00 0.00 O ATOM 933 CB TYR C 150 10.244 -2.379 -19.129 1.00 0.00 C ATOM 934 CG TYR C 150 9.789 -2.439 -17.691 1.00 0.00 C ATOM 935 CD1 TYR C 150 10.522 -1.800 -16.691 1.00 0.00 C ATOM 936 CD2 TYR C 150 8.617 -3.135 -17.364 1.00 0.00 C ATOM 937 CE1 TYR C 150 10.088 -1.854 -15.373 1.00 0.00 C ATOM 938 CE2 TYR C 150 8.183 -3.181 -16.044 1.00 0.00 C ATOM 939 CZ TYR C 150 8.920 -2.543 -15.050 1.00 0.00 C ATOM 940 OH TYR C 150 8.482 -2.575 -13.762 1.00 0.00 O ATOM 0 H TYR C 150 11.201 -2.324 -21.283 1.00 0.00 H new ATOM 0 HA TYR C 150 12.396 -2.114 -18.695 1.00 0.00 H new ATOM 0 HB2 TYR C 150 10.091 -1.373 -19.519 1.00 0.00 H new ATOM 0 HB3 TYR C 150 9.635 -3.051 -19.734 1.00 0.00 H new ATOM 0 HD1 TYR C 150 11.426 -1.264 -16.941 1.00 0.00 H new ATOM 0 HD2 TYR C 150 8.052 -3.635 -18.137 1.00 0.00 H new ATOM 0 HE1 TYR C 150 10.656 -1.362 -14.597 1.00 0.00 H new ATOM 0 HE2 TYR C 150 7.276 -3.710 -15.790 1.00 0.00 H new ATOM 0 HH TYR C 150 7.672 -2.030 -13.678 1.00 0.00 H new ATOM 950 N ASP C 151 11.420 -5.202 -19.397 1.00 0.00 N ATOM 951 CA ASP C 151 11.641 -6.623 -18.945 1.00 0.00 C ATOM 952 C ASP C 151 13.134 -6.981 -19.048 1.00 0.00 C ATOM 953 O ASP C 151 13.726 -7.501 -18.095 1.00 0.00 O ATOM 954 CB ASP C 151 10.811 -7.493 -19.915 1.00 0.00 C ATOM 955 CG ASP C 151 10.746 -8.952 -19.432 1.00 0.00 C ATOM 956 OD1 ASP C 151 10.874 -9.195 -18.244 1.00 0.00 O1- ATOM 957 OD2 ASP C 151 10.548 -9.803 -20.262 1.00 0.00 O ATOM 0 H ASP C 151 10.837 -5.098 -20.228 1.00 0.00 H new ATOM 0 HA ASP C 151 11.342 -6.776 -17.908 1.00 0.00 H new ATOM 0 HB2 ASP C 151 9.802 -7.089 -19.998 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.253 -7.456 -20.911 1.00 0.00 H new ATOM 962 N GLU C 152 13.775 -6.619 -20.165 1.00 0.00 N ATOM 963 CA GLU C 152 15.263 -6.871 -20.310 1.00 0.00 C ATOM 964 C GLU C 152 16.003 -6.072 -19.217 1.00 0.00 C ATOM 965 O GLU C 152 16.994 -6.509 -18.676 1.00 0.00 O ATOM 966 CB GLU C 152 15.663 -6.309 -21.709 1.00 0.00 C ATOM 967 CG GLU C 152 14.939 -7.065 -22.861 1.00 0.00 C ATOM 968 CD GLU C 152 15.470 -6.600 -24.212 1.00 0.00 C ATOM 969 OE1 GLU C 152 15.183 -5.532 -24.631 1.00 0.00 O ATOM 970 OE2 GLU C 152 16.160 -7.298 -24.839 1.00 0.00 O1- ATOM 0 H GLU C 152 13.334 -6.168 -20.966 1.00 0.00 H new ATOM 0 HA GLU C 152 15.511 -7.928 -20.216 1.00 0.00 H new ATOM 0 HB2 GLU C 152 15.417 -5.248 -21.759 1.00 0.00 H new ATOM 0 HB3 GLU C 152 16.742 -6.393 -21.840 1.00 0.00 H new ATOM 0 HG2 GLU C 152 15.091 -8.139 -22.753 1.00 0.00 H new ATOM 0 HG3 GLU C 152 13.865 -6.887 -22.804 1.00 0.00 H new ATOM 977 N PHE C 153 15.539 -4.878 -18.928 1.00 0.00 N ATOM 978 CA PHE C 153 16.216 -4.021 -17.908 1.00 0.00 C ATOM 979 C PHE C 153 16.152 -4.685 -16.531 1.00 0.00 C ATOM 980 O PHE C 153 17.151 -4.784 -15.853 1.00 0.00 O ATOM 981 CB PHE C 153 15.422 -2.702 -17.911 1.00 0.00 C ATOM 982 CG PHE C 153 16.086 -1.682 -17.013 1.00 0.00 C ATOM 983 CD1 PHE C 153 17.102 -0.859 -17.517 1.00 0.00 C ATOM 984 CD2 PHE C 153 15.671 -1.545 -15.677 1.00 0.00 C ATOM 985 CE1 PHE C 153 17.706 0.097 -16.687 1.00 0.00 C ATOM 986 CE2 PHE C 153 16.270 -0.589 -14.854 1.00 0.00 C ATOM 987 CZ PHE C 153 17.289 0.232 -15.357 1.00 0.00 C ATOM 0 H PHE C 153 14.715 -4.460 -19.359 1.00 0.00 H new ATOM 0 HA PHE C 153 17.271 -3.864 -18.133 1.00 0.00 H new ATOM 0 HB2 PHE C 153 15.356 -2.313 -18.927 1.00 0.00 H new ATOM 0 HB3 PHE C 153 14.402 -2.884 -17.573 1.00 0.00 H new ATOM 0 HD1 PHE C 153 17.420 -0.961 -18.544 1.00 0.00 H new ATOM 0 HD2 PHE C 153 14.889 -2.179 -15.287 1.00 0.00 H new ATOM 0 HE1 PHE C 153 18.492 0.729 -17.073 1.00 0.00 H new ATOM 0 HE2 PHE C 153 15.948 -0.482 -13.829 1.00 0.00 H new ATOM 0 HZ PHE C 153 17.753 0.969 -14.718 1.00 0.00 H new ATOM 997 N LEU C 154 14.983 -5.137 -16.110 1.00 0.00 N ATOM 998 CA LEU C 154 14.866 -5.765 -14.737 1.00 0.00 C ATOM 999 C LEU C 154 15.817 -6.960 -14.589 1.00 0.00 C ATOM 1000 O LEU C 154 16.479 -7.089 -13.571 1.00 0.00 O ATOM 1001 CB LEU C 154 13.394 -6.204 -14.596 1.00 0.00 C ATOM 1002 CG LEU C 154 13.166 -6.867 -13.219 1.00 0.00 C ATOM 1003 CD1 LEU C 154 13.428 -5.870 -12.086 1.00 0.00 C ATOM 1004 CD2 LEU C 154 11.724 -7.359 -13.128 1.00 0.00 C ATOM 0 H LEU C 154 14.116 -5.100 -16.647 1.00 0.00 H new ATOM 0 HA LEU C 154 15.146 -5.059 -13.955 1.00 0.00 H new ATOM 0 HB2 LEU C 154 12.737 -5.341 -14.706 1.00 0.00 H new ATOM 0 HB3 LEU C 154 13.137 -6.903 -15.392 1.00 0.00 H new ATOM 0 HG LEU C 154 13.857 -7.704 -13.118 1.00 0.00 H new ATOM 0 HD11 LEU C 154 13.261 -6.358 -11.126 1.00 0.00 H new ATOM 0 HD12 LEU C 154 14.459 -5.519 -12.141 1.00 0.00 H new ATOM 0 HD13 LEU C 154 12.751 -5.022 -12.184 1.00 0.00 H new ATOM 0 HD21 LEU C 154 11.560 -7.827 -12.158 1.00 0.00 H new ATOM 0 HD22 LEU C 154 11.044 -6.515 -13.243 1.00 0.00 H new ATOM 0 HD23 LEU C 154 11.537 -8.086 -13.918 1.00 0.00 H new ATOM 1016 N GLU C 155 15.937 -7.804 -15.593 1.00 0.00 N ATOM 1017 CA GLU C 155 16.914 -8.931 -15.464 1.00 0.00 C ATOM 1018 C GLU C 155 18.361 -8.383 -15.574 1.00 0.00 C ATOM 1019 O GLU C 155 19.253 -8.828 -14.868 1.00 0.00 O ATOM 1020 CB GLU C 155 16.542 -9.967 -16.556 1.00 0.00 C ATOM 1021 CG GLU C 155 17.128 -9.601 -17.935 1.00 0.00 C ATOM 1022 CD GLU C 155 18.459 -10.309 -18.128 1.00 0.00 C ATOM 1023 OE1 GLU C 155 18.506 -11.512 -17.974 1.00 0.00 O1- ATOM 1024 OE2 GLU C 155 19.409 -9.646 -18.446 1.00 0.00 O ATOM 0 H GLU C 155 15.417 -7.763 -16.469 1.00 0.00 H new ATOM 0 HA GLU C 155 16.869 -9.425 -14.493 1.00 0.00 H new ATOM 0 HB2 GLU C 155 16.905 -10.951 -16.259 1.00 0.00 H new ATOM 0 HB3 GLU C 155 15.457 -10.038 -16.632 1.00 0.00 H new ATOM 0 HG2 GLU C 155 16.434 -9.889 -18.724 1.00 0.00 H new ATOM 0 HG3 GLU C 155 17.265 -8.522 -18.009 1.00 0.00 H new ATOM 1031 N PHE C 156 18.570 -7.363 -16.383 1.00 0.00 N ATOM 1032 CA PHE C 156 19.924 -6.697 -16.474 1.00 0.00 C ATOM 1033 C PHE C 156 20.293 -6.136 -15.082 1.00 0.00 C ATOM 1034 O PHE C 156 21.384 -6.354 -14.588 1.00 0.00 O ATOM 1035 CB PHE C 156 19.717 -5.576 -17.518 1.00 0.00 C ATOM 1036 CG PHE C 156 21.007 -4.856 -17.827 1.00 0.00 C ATOM 1037 CD1 PHE C 156 22.046 -5.520 -18.491 1.00 0.00 C ATOM 1038 CD2 PHE C 156 21.146 -3.507 -17.481 1.00 0.00 C ATOM 1039 CE1 PHE C 156 23.223 -4.839 -18.803 1.00 0.00 C ATOM 1040 CE2 PHE C 156 22.323 -2.825 -17.790 1.00 0.00 C ATOM 1041 CZ PHE C 156 23.363 -3.490 -18.455 1.00 0.00 C ATOM 0 H PHE C 156 17.857 -6.958 -16.990 1.00 0.00 H new ATOM 0 HA PHE C 156 20.736 -7.362 -16.767 1.00 0.00 H new ATOM 0 HB2 PHE C 156 19.310 -6.003 -18.435 1.00 0.00 H new ATOM 0 HB3 PHE C 156 18.982 -4.862 -17.145 1.00 0.00 H new ATOM 0 HD1 PHE C 156 21.936 -6.560 -18.762 1.00 0.00 H new ATOM 0 HD2 PHE C 156 20.342 -2.994 -16.975 1.00 0.00 H new ATOM 0 HE1 PHE C 156 24.025 -5.352 -19.312 1.00 0.00 H new ATOM 0 HE2 PHE C 156 22.433 -1.786 -17.517 1.00 0.00 H new ATOM 0 HZ PHE C 156 24.273 -2.961 -18.699 1.00 0.00 H new ATOM 1051 N MET C 157 19.342 -5.529 -14.392 1.00 0.00 N ATOM 1052 CA MET C 157 19.602 -5.083 -12.974 1.00 0.00 C ATOM 1053 C MET C 157 19.097 -6.164 -11.983 1.00 0.00 C ATOM 1054 O MET C 157 18.612 -5.851 -10.909 1.00 0.00 O ATOM 1055 CB MET C 157 18.858 -3.726 -12.764 1.00 0.00 C ATOM 1056 CG MET C 157 17.352 -3.843 -13.086 1.00 0.00 C ATOM 1057 SD MET C 157 16.407 -2.708 -12.039 1.00 0.00 S ATOM 1058 CE MET C 157 16.586 -3.625 -10.492 1.00 0.00 C ATOM 0 H MET C 157 18.407 -5.325 -14.746 1.00 0.00 H new ATOM 0 HA MET C 157 20.668 -4.948 -12.792 1.00 0.00 H new ATOM 0 HB2 MET C 157 18.985 -3.398 -11.732 1.00 0.00 H new ATOM 0 HB3 MET C 157 19.307 -2.963 -13.399 1.00 0.00 H new ATOM 0 HG2 MET C 157 17.177 -3.613 -14.137 1.00 0.00 H new ATOM 0 HG3 MET C 157 17.015 -4.867 -12.924 1.00 0.00 H new ATOM 0 HE1 MET C 157 15.877 -3.242 -9.758 1.00 0.00 H new ATOM 0 HE2 MET C 157 16.388 -4.682 -10.671 1.00 0.00 H new ATOM 0 HE3 MET C 157 17.601 -3.505 -10.113 1.00 0.00 H new