USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 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 Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.414 K(o=-0.41,f=-1.2!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 153:sc= -0.788 (180deg=-1.84!) USER MOD Single : A 115 LYS NZ :NH3+ -139:sc= -0.693 (180deg=-2.31!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.18) USER MOD Single : A 128 MET CE :methyl -141:sc=-0.00383 (180deg=-0.423) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.048) USER MOD Single : A 137 ASN : amide:sc=-0.00978 K(o=-0.0098,f=-0.82) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 THR OG1 : rot 100:sc= 1.1 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 25:sc= 0.366 USER MOD Single : A 157 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0388) USER MOD Single : A 160 TYR OH : rot 180:sc= -0.722 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.715 10.301 -5.843 1.00 0.00 N ATOM 67 CA PHE A 105 7.935 9.084 -6.033 1.00 0.00 C ATOM 68 C PHE A 105 7.289 8.641 -4.723 1.00 0.00 C ATOM 69 O PHE A 105 6.191 8.083 -4.716 1.00 0.00 O ATOM 70 CB PHE A 105 8.823 7.965 -6.581 1.00 0.00 C ATOM 71 CG PHE A 105 8.334 6.587 -6.233 1.00 0.00 C ATOM 72 CD1 PHE A 105 7.066 6.173 -6.607 1.00 0.00 C ATOM 73 CD2 PHE A 105 9.143 5.708 -5.532 1.00 0.00 C ATOM 74 CE1 PHE A 105 6.615 4.906 -6.288 1.00 0.00 C ATOM 75 CE2 PHE A 105 8.697 4.440 -5.210 1.00 0.00 C ATOM 76 CZ PHE A 105 7.431 4.038 -5.589 1.00 0.00 C ATOM 0 HA PHE A 105 7.145 9.297 -6.753 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.883 8.058 -7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.834 8.092 -6.194 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.423 6.847 -7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.134 6.017 -5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.625 4.595 -6.585 1.00 0.00 H new ATOM 0 HE2 PHE A 105 9.338 3.764 -4.663 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.080 3.048 -5.339 1.00 0.00 H new ATOM 86 N LEU A 106 7.979 8.894 -3.616 1.00 0.00 N ATOM 87 CA LEU A 106 7.474 8.522 -2.299 1.00 0.00 C ATOM 88 C LEU A 106 6.267 9.372 -1.918 1.00 0.00 C ATOM 89 O LEU A 106 5.249 8.854 -1.456 1.00 0.00 O ATOM 90 CB LEU A 106 8.574 8.677 -1.247 1.00 0.00 C ATOM 91 CG LEU A 106 9.897 7.972 -1.549 1.00 0.00 C ATOM 92 CD1 LEU A 106 10.807 8.873 -2.369 1.00 0.00 C ATOM 93 CD2 LEU A 106 10.583 7.549 -0.259 1.00 0.00 C ATOM 0 H LEU A 106 8.889 9.355 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 106 7.162 7.478 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.774 9.740 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.195 8.303 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 106 9.684 7.077 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.744 8.354 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.318 9.125 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.013 9.787 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.523 7.049 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.783 8.429 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.936 6.865 0.290 1.00 0.00 H new ATOM 105 N THR A 107 6.384 10.681 -2.117 1.00 0.00 N ATOM 106 CA THR A 107 5.303 11.603 -1.796 1.00 0.00 C ATOM 107 C THR A 107 4.087 11.355 -2.682 1.00 0.00 C ATOM 108 O THR A 107 2.957 11.304 -2.199 1.00 0.00 O ATOM 109 CB THR A 107 5.749 13.069 -1.955 1.00 0.00 C ATOM 110 OG1 THR A 107 6.973 13.288 -1.245 1.00 0.00 O ATOM 111 CG2 THR A 107 4.679 14.019 -1.436 1.00 0.00 C ATOM 0 H THR A 107 7.218 11.126 -2.500 1.00 0.00 H new ATOM 0 HA THR A 107 5.034 11.424 -0.755 1.00 0.00 H new ATOM 0 HB THR A 107 5.904 13.266 -3.016 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.251 14.222 -1.352 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.016 15.048 -1.558 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.757 13.870 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.497 13.820 -0.380 1.00 0.00 H new ATOM 119 N GLU A 108 4.328 11.201 -3.980 1.00 0.00 N ATOM 120 CA GLU A 108 3.251 10.957 -4.933 1.00 0.00 C ATOM 121 C GLU A 108 2.618 9.589 -4.700 1.00 0.00 C ATOM 122 O GLU A 108 1.416 9.408 -4.892 1.00 0.00 O ATOM 123 CB GLU A 108 3.778 11.051 -6.366 1.00 0.00 C ATOM 124 CG GLU A 108 4.144 12.464 -6.789 1.00 0.00 C ATOM 125 CD GLU A 108 2.965 13.227 -7.359 1.00 0.00 C ATOM 126 OE1 GLU A 108 2.109 13.676 -6.568 1.00 0.00 O ATOM 127 OE2 GLU A 108 2.897 13.375 -8.597 1.00 0.00 O ATOM 0 H GLU A 108 5.259 11.241 -4.396 1.00 0.00 H new ATOM 0 HA GLU A 108 2.488 11.721 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.656 10.413 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.023 10.661 -7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.541 13.005 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.939 12.422 -7.534 1.00 0.00 H new ATOM 134 N PHE A 109 3.437 8.627 -4.286 1.00 0.00 N ATOM 135 CA PHE A 109 2.958 7.274 -4.029 1.00 0.00 C ATOM 136 C PHE A 109 2.035 7.245 -2.814 1.00 0.00 C ATOM 137 O PHE A 109 0.945 6.674 -2.863 1.00 0.00 O ATOM 138 CB PHE A 109 4.139 6.326 -3.809 1.00 0.00 C ATOM 139 CG PHE A 109 3.806 5.145 -2.942 1.00 0.00 C ATOM 140 CD1 PHE A 109 2.909 4.182 -3.374 1.00 0.00 C ATOM 141 CD2 PHE A 109 4.391 4.998 -1.694 1.00 0.00 C ATOM 142 CE1 PHE A 109 2.601 3.095 -2.578 1.00 0.00 C ATOM 143 CE2 PHE A 109 4.087 3.913 -0.894 1.00 0.00 C ATOM 144 CZ PHE A 109 3.191 2.960 -1.337 1.00 0.00 C ATOM 0 H PHE A 109 4.435 8.760 -4.122 1.00 0.00 H new ATOM 0 HA PHE A 109 2.393 6.944 -4.900 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.493 5.969 -4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.960 6.880 -3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.445 4.282 -4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.093 5.740 -1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.899 2.352 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.550 3.810 0.077 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.952 2.111 -0.714 1.00 0.00 H new ATOM 154 N ILE A 110 2.480 7.865 -1.726 1.00 0.00 N ATOM 155 CA ILE A 110 1.694 7.911 -0.499 1.00 0.00 C ATOM 156 C ILE A 110 0.371 8.636 -0.720 1.00 0.00 C ATOM 157 O ILE A 110 -0.664 8.235 -0.190 1.00 0.00 O ATOM 158 CB ILE A 110 2.465 8.608 0.637 1.00 0.00 C ATOM 159 CG1 ILE A 110 3.753 7.845 0.953 1.00 0.00 C ATOM 160 CG2 ILE A 110 1.592 8.721 1.878 1.00 0.00 C ATOM 161 CD1 ILE A 110 4.741 8.640 1.777 1.00 0.00 C ATOM 0 H ILE A 110 3.380 8.342 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 110 1.496 6.878 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 110 2.732 9.613 0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.501 6.929 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.228 7.548 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.151 9.216 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.701 9.304 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.298 7.725 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.629 8.036 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.023 9.543 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.284 8.914 2.728 1.00 0.00 H new ATOM 173 N ASN A 111 0.413 9.705 -1.509 1.00 0.00 N ATOM 174 CA ASN A 111 -0.783 10.486 -1.802 1.00 0.00 C ATOM 175 C ASN A 111 -1.887 9.598 -2.369 1.00 0.00 C ATOM 176 O ASN A 111 -3.071 9.831 -2.126 1.00 0.00 O ATOM 177 CB ASN A 111 -0.456 11.607 -2.791 1.00 0.00 C ATOM 178 CG ASN A 111 0.292 12.753 -2.138 1.00 0.00 C ATOM 179 OD1 ASN A 111 0.077 13.062 -0.966 1.00 0.00 O ATOM 180 ND2 ASN A 111 1.176 13.391 -2.897 1.00 0.00 N ATOM 0 H ASN A 111 1.262 10.050 -1.957 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.137 10.925 -0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.143 11.204 -3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.381 11.983 -3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.709 14.171 -2.513 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.322 13.101 -3.864 1.00 0.00 H new ATOM 187 N TYR A 112 -1.490 8.581 -3.125 1.00 0.00 N ATOM 188 CA TYR A 112 -2.445 7.659 -3.729 1.00 0.00 C ATOM 189 C TYR A 112 -3.182 6.860 -2.658 1.00 0.00 C ATOM 190 O TYR A 112 -4.404 6.720 -2.704 1.00 0.00 O ATOM 191 CB TYR A 112 -1.730 6.707 -4.689 1.00 0.00 C ATOM 192 CG TYR A 112 -2.665 5.776 -5.427 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.795 6.262 -6.074 1.00 0.00 C ATOM 194 CD2 TYR A 112 -2.419 4.409 -5.478 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.652 5.415 -6.748 1.00 0.00 C ATOM 196 CE2 TYR A 112 -3.270 3.555 -6.151 1.00 0.00 C ATOM 197 CZ TYR A 112 -4.385 4.062 -6.784 1.00 0.00 C ATOM 198 OH TYR A 112 -5.236 3.215 -7.457 1.00 0.00 O ATOM 0 H TYR A 112 -0.513 8.374 -3.334 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.175 8.246 -4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.166 7.293 -5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.008 6.114 -4.128 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.006 7.321 -6.049 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.547 4.008 -4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.526 5.809 -7.244 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.063 2.495 -6.181 1.00 0.00 H new ATOM 0 HH TYR A 112 -4.905 2.295 -7.387 1.00 0.00 H new ATOM 208 N ILE A 113 -2.429 6.339 -1.695 1.00 0.00 N ATOM 209 CA ILE A 113 -3.010 5.555 -0.612 1.00 0.00 C ATOM 210 C ILE A 113 -3.889 6.422 0.284 1.00 0.00 C ATOM 211 O ILE A 113 -4.987 6.023 0.669 1.00 0.00 O ATOM 212 CB ILE A 113 -1.920 4.889 0.248 1.00 0.00 C ATOM 213 CG1 ILE A 113 -1.056 3.964 -0.612 1.00 0.00 C ATOM 214 CG2 ILE A 113 -2.550 4.117 1.398 1.00 0.00 C ATOM 215 CD1 ILE A 113 0.270 3.611 0.025 1.00 0.00 C ATOM 0 H ILE A 113 -1.416 6.446 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.620 4.780 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.282 5.667 0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.609 3.046 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.872 4.442 -1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.767 3.652 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.126 4.800 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.209 3.345 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.829 2.953 -0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.843 4.521 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.094 3.104 0.974 1.00 0.00 H new ATOM 227 N LYS A 114 -3.398 7.613 0.610 1.00 0.00 N ATOM 228 CA LYS A 114 -4.138 8.540 1.458 1.00 0.00 C ATOM 229 C LYS A 114 -5.527 8.810 0.886 1.00 0.00 C ATOM 230 O LYS A 114 -6.526 8.755 1.603 1.00 0.00 O ATOM 231 CB LYS A 114 -3.371 9.856 1.603 1.00 0.00 C ATOM 232 CG LYS A 114 -1.961 9.681 2.141 1.00 0.00 C ATOM 233 CD LYS A 114 -1.937 9.705 3.660 1.00 0.00 C ATOM 234 CE LYS A 114 -1.827 11.125 4.193 1.00 0.00 C ATOM 235 NZ LYS A 114 -3.133 11.839 4.146 1.00 0.00 N ATOM 0 H LYS A 114 -2.490 7.959 0.299 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.251 8.082 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.322 10.347 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.925 10.519 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.549 8.737 1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.322 10.474 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.843 9.239 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.096 9.113 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.464 11.100 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.091 11.676 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.156 12.570 4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.251 12.286 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.905 11.161 4.305 1.00 0.00 H new ATOM 249 N LYS A 115 -5.582 9.099 -0.409 1.00 0.00 N ATOM 250 CA LYS A 115 -6.847 9.374 -1.079 1.00 0.00 C ATOM 251 C LYS A 115 -7.678 8.102 -1.217 1.00 0.00 C ATOM 252 O LYS A 115 -8.890 8.115 -1.002 1.00 0.00 O ATOM 253 CB LYS A 115 -6.595 9.983 -2.460 1.00 0.00 C ATOM 254 CG LYS A 115 -5.916 11.341 -2.411 1.00 0.00 C ATOM 255 CD LYS A 115 -6.230 12.167 -3.648 1.00 0.00 C ATOM 256 CE LYS A 115 -7.605 12.812 -3.552 1.00 0.00 C ATOM 257 NZ LYS A 115 -8.669 11.935 -4.114 1.00 0.00 N ATOM 0 H LYS A 115 -4.764 9.149 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.404 10.087 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.978 9.299 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.546 10.080 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.241 11.879 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.838 11.207 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.472 12.940 -3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.186 11.531 -4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.830 13.033 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.598 13.763 -4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.340 12.511 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.238 11.221 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.173 11.460 -3.338 1.00 0.00 H new ATOM 271 N SER A 116 -7.018 7.006 -1.574 1.00 0.00 N ATOM 272 CA SER A 116 -7.697 5.726 -1.742 1.00 0.00 C ATOM 273 C SER A 116 -8.150 5.170 -0.395 1.00 0.00 C ATOM 274 O SER A 116 -8.023 5.830 0.637 1.00 0.00 O ATOM 275 CB SER A 116 -6.773 4.722 -2.435 1.00 0.00 C ATOM 276 OG SER A 116 -6.912 4.790 -3.844 1.00 0.00 O ATOM 0 H SER A 116 -6.014 6.978 -1.753 1.00 0.00 H new ATOM 0 HA SER A 116 -8.578 5.889 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.738 4.924 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.004 3.713 -2.092 1.00 0.00 H new ATOM 0 HG SER A 116 -6.310 4.140 -4.264 1.00 0.00 H new ATOM 282 N LYS A 117 -8.681 3.952 -0.413 1.00 0.00 N ATOM 283 CA LYS A 117 -9.153 3.305 0.805 1.00 0.00 C ATOM 284 C LYS A 117 -8.509 1.933 0.977 1.00 0.00 C ATOM 285 O LYS A 117 -7.768 1.699 1.931 1.00 0.00 O ATOM 286 CB LYS A 117 -10.677 3.165 0.774 1.00 0.00 C ATOM 287 CG LYS A 117 -11.410 4.495 0.784 1.00 0.00 C ATOM 288 CD LYS A 117 -12.898 4.310 1.033 1.00 0.00 C ATOM 289 CE LYS A 117 -13.632 3.924 -0.242 1.00 0.00 C ATOM 290 NZ LYS A 117 -13.989 5.116 -1.059 1.00 0.00 N ATOM 0 H LYS A 117 -8.795 3.393 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.868 3.929 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -10.964 2.608 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.997 2.577 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.988 5.138 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -11.260 5.001 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.049 3.539 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -13.319 5.233 1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -13.007 3.253 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -14.538 3.374 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -14.488 4.811 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -14.606 5.744 -0.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.123 5.627 -1.324 1.00 0.00 H new ATOM 304 N VAL A 118 -8.796 1.029 0.045 1.00 0.00 N ATOM 305 CA VAL A 118 -8.242 -0.319 0.092 1.00 0.00 C ATOM 306 C VAL A 118 -7.228 -0.536 -1.025 1.00 0.00 C ATOM 307 O VAL A 118 -7.586 -0.596 -2.201 1.00 0.00 O ATOM 308 CB VAL A 118 -9.349 -1.385 -0.020 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.743 -2.776 -0.121 1.00 0.00 C ATOM 310 CG2 VAL A 118 -10.299 -1.292 1.164 1.00 0.00 C ATOM 0 H VAL A 118 -9.409 1.206 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.744 -0.423 1.056 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.920 -1.197 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.540 -3.515 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.107 -2.833 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.146 -2.978 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.075 -2.052 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.745 -1.453 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.760 -0.304 1.184 1.00 0.00 H new ATOM 320 N VAL A 119 -5.958 -0.654 -0.649 1.00 0.00 N ATOM 321 CA VAL A 119 -4.890 -0.867 -1.619 1.00 0.00 C ATOM 322 C VAL A 119 -4.078 -2.111 -1.278 1.00 0.00 C ATOM 323 O VAL A 119 -3.570 -2.248 -0.164 1.00 0.00 O ATOM 324 CB VAL A 119 -3.945 0.347 -1.688 1.00 0.00 C ATOM 325 CG1 VAL A 119 -3.142 0.326 -2.979 1.00 0.00 C ATOM 326 CG2 VAL A 119 -4.733 1.643 -1.562 1.00 0.00 C ATOM 0 H VAL A 119 -5.644 -0.606 0.320 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.366 -1.003 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.247 0.290 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.480 1.191 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.548 -0.587 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.821 0.358 -3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.050 2.491 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -5.455 1.710 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -5.259 1.658 -0.607 1.00 0.00 H new ATOM 336 N LEU A 120 -3.958 -3.015 -2.244 1.00 0.00 N ATOM 337 CA LEU A 120 -3.205 -4.249 -2.047 1.00 0.00 C ATOM 338 C LEU A 120 -1.795 -4.123 -2.613 1.00 0.00 C ATOM 339 O LEU A 120 -1.582 -3.480 -3.641 1.00 0.00 O ATOM 340 CB LEU A 120 -3.930 -5.423 -2.709 1.00 0.00 C ATOM 341 CG LEU A 120 -3.779 -6.780 -2.021 1.00 0.00 C ATOM 342 CD1 LEU A 120 -5.019 -7.632 -2.242 1.00 0.00 C ATOM 343 CD2 LEU A 120 -2.537 -7.499 -2.527 1.00 0.00 C ATOM 0 H LEU A 120 -4.372 -2.917 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.131 -4.433 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.992 -5.183 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.569 -5.516 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 120 -3.666 -6.612 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.893 -8.594 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.889 -7.122 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -5.165 -7.792 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.445 -8.463 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.620 -7.655 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.655 -6.895 -2.315 1.00 0.00 H new ATOM 355 N LEU A 121 -0.834 -4.743 -1.936 1.00 0.00 N ATOM 356 CA LEU A 121 0.558 -4.702 -2.372 1.00 0.00 C ATOM 357 C LEU A 121 0.694 -5.207 -3.805 1.00 0.00 C ATOM 358 O LEU A 121 1.427 -4.632 -4.609 1.00 0.00 O ATOM 359 CB LEU A 121 1.430 -5.543 -1.438 1.00 0.00 C ATOM 360 CG LEU A 121 1.272 -5.266 0.057 1.00 0.00 C ATOM 361 CD1 LEU A 121 1.961 -6.347 0.876 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.829 -3.893 0.407 1.00 0.00 C ATOM 0 H LEU A 121 -0.993 -5.280 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 121 0.894 -3.666 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 121 1.210 -6.595 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.474 -5.385 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 121 0.209 -5.278 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 121 1.838 -6.133 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 121 1.517 -7.316 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.023 -6.368 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.708 -3.713 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.888 -3.853 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.291 -3.128 -0.153 1.00 0.00 H new ATOM 374 N GLU A 122 -0.019 -6.285 -4.118 1.00 0.00 N ATOM 375 CA GLU A 122 0.022 -6.866 -5.455 1.00 0.00 C ATOM 376 C GLU A 122 -0.557 -5.901 -6.485 1.00 0.00 C ATOM 377 O GLU A 122 -0.006 -5.735 -7.574 1.00 0.00 O ATOM 378 CB GLU A 122 -0.751 -8.186 -5.485 1.00 0.00 C ATOM 379 CG GLU A 122 -0.215 -9.182 -6.500 1.00 0.00 C ATOM 380 CD GLU A 122 -1.294 -10.099 -7.043 1.00 0.00 C ATOM 381 OE1 GLU A 122 -2.238 -9.592 -7.683 1.00 0.00 O ATOM 382 OE2 GLU A 122 -1.193 -11.325 -6.826 1.00 0.00 O ATOM 0 H GLU A 122 -0.631 -6.773 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 122 1.065 -7.058 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -0.720 -8.638 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.798 -7.980 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.246 -8.641 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.567 -9.783 -6.036 1.00 0.00 H new ATOM 389 N ASP A 123 -1.670 -5.267 -6.134 1.00 0.00 N ATOM 390 CA ASP A 123 -2.324 -4.318 -7.027 1.00 0.00 C ATOM 391 C ASP A 123 -1.464 -3.073 -7.221 1.00 0.00 C ATOM 392 O ASP A 123 -1.368 -2.538 -8.326 1.00 0.00 O ATOM 393 CB ASP A 123 -3.694 -3.924 -6.473 1.00 0.00 C ATOM 394 CG ASP A 123 -4.470 -3.035 -7.424 1.00 0.00 C ATOM 395 OD1 ASP A 123 -3.833 -2.379 -8.276 1.00 0.00 O ATOM 396 OD2 ASP A 123 -5.713 -2.995 -7.318 1.00 0.00 O ATOM 0 H ASP A 123 -2.139 -5.393 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.457 -4.801 -7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.273 -4.825 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.563 -3.407 -5.522 1.00 0.00 H new ATOM 401 N LEU A 124 -0.841 -2.616 -6.140 1.00 0.00 N ATOM 402 CA LEU A 124 0.011 -1.433 -6.191 1.00 0.00 C ATOM 403 C LEU A 124 1.250 -1.691 -7.043 1.00 0.00 C ATOM 404 O LEU A 124 1.647 -0.850 -7.850 1.00 0.00 O ATOM 405 CB LEU A 124 0.426 -1.018 -4.778 1.00 0.00 C ATOM 406 CG LEU A 124 1.620 -0.068 -4.681 1.00 0.00 C ATOM 407 CD1 LEU A 124 1.203 1.350 -5.039 1.00 0.00 C ATOM 408 CD2 LEU A 124 2.225 -0.112 -3.286 1.00 0.00 C ATOM 0 H LEU A 124 -0.910 -3.047 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.559 -0.624 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.429 -0.546 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.657 -1.919 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 124 2.378 -0.393 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.065 2.013 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.817 1.369 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.427 1.686 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 124 3.074 0.570 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.475 0.188 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.561 -1.126 -3.067 1.00 0.00 H new ATOM 420 N ALA A 125 1.856 -2.859 -6.858 1.00 0.00 N ATOM 421 CA ALA A 125 3.048 -3.229 -7.612 1.00 0.00 C ATOM 422 C ALA A 125 2.753 -3.295 -9.107 1.00 0.00 C ATOM 423 O ALA A 125 3.508 -2.768 -9.923 1.00 0.00 O ATOM 424 CB ALA A 125 3.591 -4.562 -7.120 1.00 0.00 C ATOM 0 H ALA A 125 1.541 -3.565 -6.193 1.00 0.00 H new ATOM 0 HA ALA A 125 3.803 -2.460 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.481 -4.826 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 125 3.849 -4.482 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.833 -5.334 -7.251 1.00 0.00 H new ATOM 430 N PHE A 126 1.650 -3.948 -9.459 1.00 0.00 N ATOM 431 CA PHE A 126 1.256 -4.085 -10.856 1.00 0.00 C ATOM 432 C PHE A 126 0.844 -2.736 -11.440 1.00 0.00 C ATOM 433 O PHE A 126 1.203 -2.402 -12.569 1.00 0.00 O ATOM 434 CB PHE A 126 0.103 -5.083 -10.988 1.00 0.00 C ATOM 435 CG PHE A 126 -0.580 -5.037 -12.325 1.00 0.00 C ATOM 436 CD1 PHE A 126 -1.457 -4.010 -12.634 1.00 0.00 C ATOM 437 CD2 PHE A 126 -0.345 -6.020 -13.272 1.00 0.00 C ATOM 438 CE1 PHE A 126 -2.087 -3.965 -13.863 1.00 0.00 C ATOM 439 CE2 PHE A 126 -0.972 -5.981 -14.503 1.00 0.00 C ATOM 440 CZ PHE A 126 -1.844 -4.952 -14.799 1.00 0.00 C ATOM 0 H PHE A 126 1.014 -4.390 -8.796 1.00 0.00 H new ATOM 0 HA PHE A 126 2.115 -4.457 -11.414 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.484 -6.090 -10.818 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.631 -4.883 -10.207 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -1.650 -3.236 -11.906 1.00 0.00 H new ATOM 0 HD2 PHE A 126 0.336 -6.827 -13.046 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -2.769 -3.159 -14.092 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -0.780 -6.754 -15.232 1.00 0.00 H new ATOM 0 HZ PHE A 126 -2.335 -4.919 -15.760 1.00 0.00 H new ATOM 450 N GLN A 127 0.090 -1.967 -10.662 1.00 0.00 N ATOM 451 CA GLN A 127 -0.371 -0.655 -11.103 1.00 0.00 C ATOM 452 C GLN A 127 0.807 0.244 -11.461 1.00 0.00 C ATOM 453 O GLN A 127 0.804 0.902 -12.501 1.00 0.00 O ATOM 454 CB GLN A 127 -1.218 0.004 -10.012 1.00 0.00 C ATOM 455 CG GLN A 127 -2.141 1.093 -10.533 1.00 0.00 C ATOM 456 CD GLN A 127 -3.224 0.553 -11.445 1.00 0.00 C ATOM 457 OE1 GLN A 127 -3.323 0.943 -12.609 1.00 0.00 O ATOM 458 NE2 GLN A 127 -4.045 -0.349 -10.920 1.00 0.00 N ATOM 0 H GLN A 127 -0.215 -2.229 -9.724 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.983 -0.793 -11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.816 -0.761 -9.516 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.556 0.430 -9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -2.604 1.606 -9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -1.553 1.835 -11.073 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -3.926 -0.644 -9.951 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.794 -0.747 -11.486 1.00 0.00 H new ATOM 467 N MET A 128 1.813 0.268 -10.593 1.00 0.00 N ATOM 468 CA MET A 128 2.998 1.086 -10.819 1.00 0.00 C ATOM 469 C MET A 128 4.075 0.293 -11.553 1.00 0.00 C ATOM 470 O MET A 128 5.126 0.829 -11.902 1.00 0.00 O ATOM 471 CB MET A 128 3.548 1.605 -9.489 1.00 0.00 C ATOM 472 CG MET A 128 2.655 2.640 -8.825 1.00 0.00 C ATOM 473 SD MET A 128 3.426 3.401 -7.384 1.00 0.00 S ATOM 474 CE MET A 128 2.419 4.870 -7.197 1.00 0.00 C ATOM 0 H MET A 128 1.831 -0.270 -9.727 1.00 0.00 H new ATOM 0 HA MET A 128 2.709 1.934 -11.440 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.684 0.764 -8.809 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.533 2.041 -9.658 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.403 3.415 -9.549 1.00 0.00 H new ATOM 0 HG3 MET A 128 1.719 2.168 -8.525 1.00 0.00 H new ATOM 0 HE1 MET A 128 3.051 5.711 -6.912 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.922 5.093 -8.141 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.670 4.702 -6.423 1.00 0.00 H new ATOM 484 N GLY A 129 3.805 -0.989 -11.784 1.00 0.00 N ATOM 485 CA GLY A 129 4.761 -1.835 -12.474 1.00 0.00 C ATOM 486 C GLY A 129 5.772 -2.456 -11.531 1.00 0.00 C ATOM 487 O GLY A 129 6.157 -3.615 -11.697 1.00 0.00 O ATOM 0 H GLY A 129 2.942 -1.456 -11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.227 -2.626 -13.002 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.285 -1.247 -13.227 1.00 0.00 H new ATOM 491 N LEU A 130 6.205 -1.686 -10.540 1.00 0.00 N ATOM 492 CA LEU A 130 7.180 -2.167 -9.567 1.00 0.00 C ATOM 493 C LEU A 130 6.812 -3.562 -9.071 1.00 0.00 C ATOM 494 O LEU A 130 5.661 -3.985 -9.177 1.00 0.00 O ATOM 495 CB LEU A 130 7.270 -1.200 -8.384 1.00 0.00 C ATOM 496 CG LEU A 130 7.626 0.247 -8.727 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.328 1.162 -7.549 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.088 0.355 -9.133 1.00 0.00 C ATOM 0 H LEU A 130 5.897 -0.726 -10.388 1.00 0.00 H new ATOM 0 HA LEU A 130 8.151 -2.221 -10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.312 -1.204 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.015 -1.581 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 130 7.012 0.563 -9.571 1.00 0.00 H new ATOM 0 HD11 LEU A 130 7.587 2.188 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.267 1.107 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 130 7.916 0.848 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.323 1.392 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 130 9.720 0.021 -8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.270 -0.270 -10.007 1.00 0.00 H new ATOM 510 N ARG A 131 7.796 -4.270 -8.527 1.00 0.00 N ATOM 511 CA ARG A 131 7.575 -5.617 -8.014 1.00 0.00 C ATOM 512 C ARG A 131 6.831 -5.576 -6.682 1.00 0.00 C ATOM 513 O ARG A 131 6.840 -4.561 -5.984 1.00 0.00 O ATOM 514 CB ARG A 131 8.909 -6.345 -7.842 1.00 0.00 C ATOM 515 CG ARG A 131 9.488 -6.871 -9.146 1.00 0.00 C ATOM 516 CD ARG A 131 10.581 -7.899 -8.896 1.00 0.00 C ATOM 517 NE ARG A 131 11.069 -8.492 -10.138 1.00 0.00 N ATOM 518 CZ ARG A 131 12.119 -9.303 -10.202 1.00 0.00 C ATOM 519 NH1 ARG A 131 12.786 -9.618 -9.100 1.00 0.00 N ATOM 520 NH2 ARG A 131 12.502 -9.803 -11.369 1.00 0.00 N ATOM 0 H ARG A 131 8.754 -3.934 -8.430 1.00 0.00 H new ATOM 0 HA ARG A 131 6.964 -6.158 -8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 131 9.627 -5.666 -7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 131 8.772 -7.178 -7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 131 8.694 -7.320 -9.743 1.00 0.00 H new ATOM 0 HG3 ARG A 131 9.893 -6.042 -9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 131 11.410 -7.426 -8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 131 10.198 -8.685 -8.245 1.00 0.00 H new ATOM 0 HE ARG A 131 10.577 -8.271 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 131 12.493 -9.237 -8.200 1.00 0.00 H new ATOM 0 HH12 ARG A 131 13.592 -10.241 -9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 131 11.990 -9.565 -12.219 1.00 0.00 H new ATOM 0 HH22 ARG A 131 13.308 -10.426 -11.417 1.00 0.00 H new ATOM 534 N THR A 132 6.186 -6.685 -6.336 1.00 0.00 N ATOM 535 CA THR A 132 5.436 -6.776 -5.090 1.00 0.00 C ATOM 536 C THR A 132 6.351 -6.605 -3.883 1.00 0.00 C ATOM 537 O THR A 132 6.040 -5.853 -2.959 1.00 0.00 O ATOM 538 CB THR A 132 4.700 -8.124 -4.974 1.00 0.00 C ATOM 539 OG1 THR A 132 3.916 -8.357 -6.150 1.00 0.00 O ATOM 540 CG2 THR A 132 3.802 -8.147 -3.747 1.00 0.00 C ATOM 0 H THR A 132 6.168 -7.534 -6.902 1.00 0.00 H new ATOM 0 HA THR A 132 4.703 -5.970 -5.104 1.00 0.00 H new ATOM 0 HB THR A 132 5.446 -8.912 -4.873 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.453 -9.217 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 132 3.293 -9.109 -3.687 1.00 0.00 H new ATOM 0 HG22 THR A 132 4.406 -7.999 -2.852 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.063 -7.349 -3.822 1.00 0.00 H new ATOM 548 N GLN A 133 7.480 -7.306 -3.898 1.00 0.00 N ATOM 549 CA GLN A 133 8.441 -7.230 -2.804 1.00 0.00 C ATOM 550 C GLN A 133 9.078 -5.846 -2.733 1.00 0.00 C ATOM 551 O GLN A 133 9.334 -5.324 -1.648 1.00 0.00 O ATOM 552 CB GLN A 133 9.525 -8.295 -2.974 1.00 0.00 C ATOM 553 CG GLN A 133 10.202 -8.688 -1.670 1.00 0.00 C ATOM 554 CD GLN A 133 9.316 -9.548 -0.789 1.00 0.00 C ATOM 555 OE1 GLN A 133 8.935 -10.656 -1.166 1.00 0.00 O ATOM 556 NE2 GLN A 133 8.985 -9.040 0.392 1.00 0.00 N ATOM 0 H GLN A 133 7.752 -7.933 -4.655 1.00 0.00 H new ATOM 0 HA GLN A 133 7.906 -7.412 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.083 -9.183 -3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.280 -7.926 -3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.122 -9.228 -1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.484 -7.787 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.324 -8.117 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.392 -9.573 1.028 1.00 0.00 H new ATOM 565 N ASP A 134 9.332 -5.257 -3.897 1.00 0.00 N ATOM 566 CA ASP A 134 9.939 -3.933 -3.967 1.00 0.00 C ATOM 567 C ASP A 134 9.058 -2.894 -3.280 1.00 0.00 C ATOM 568 O ASP A 134 9.532 -2.106 -2.463 1.00 0.00 O ATOM 569 CB ASP A 134 10.177 -3.535 -5.425 1.00 0.00 C ATOM 570 CG ASP A 134 11.539 -3.971 -5.929 1.00 0.00 C ATOM 571 OD1 ASP A 134 11.726 -5.184 -6.160 1.00 0.00 O ATOM 572 OD2 ASP A 134 12.417 -3.099 -6.093 1.00 0.00 O ATOM 0 H ASP A 134 9.127 -5.676 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 134 10.897 -3.971 -3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 134 9.402 -3.978 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 134 10.086 -2.453 -5.523 1.00 0.00 H new ATOM 577 N ALA A 135 7.773 -2.899 -3.619 1.00 0.00 N ATOM 578 CA ALA A 135 6.825 -1.958 -3.035 1.00 0.00 C ATOM 579 C ALA A 135 6.693 -2.175 -1.531 1.00 0.00 C ATOM 580 O ALA A 135 6.624 -1.217 -0.761 1.00 0.00 O ATOM 581 CB ALA A 135 5.468 -2.087 -3.711 1.00 0.00 C ATOM 0 H ALA A 135 7.365 -3.544 -4.295 1.00 0.00 H new ATOM 0 HA ALA A 135 7.204 -0.949 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.770 -1.378 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.570 -1.874 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 135 5.090 -3.101 -3.578 1.00 0.00 H new ATOM 587 N ILE A 136 6.657 -3.438 -1.122 1.00 0.00 N ATOM 588 CA ILE A 136 6.533 -3.779 0.290 1.00 0.00 C ATOM 589 C ILE A 136 7.698 -3.217 1.096 1.00 0.00 C ATOM 590 O ILE A 136 7.512 -2.694 2.194 1.00 0.00 O ATOM 591 CB ILE A 136 6.468 -5.304 0.497 1.00 0.00 C ATOM 592 CG1 ILE A 136 5.190 -5.872 -0.123 1.00 0.00 C ATOM 593 CG2 ILE A 136 6.540 -5.641 1.979 1.00 0.00 C ATOM 594 CD1 ILE A 136 5.248 -7.363 -0.369 1.00 0.00 C ATOM 0 H ILE A 136 6.712 -4.242 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 136 5.603 -3.333 0.642 1.00 0.00 H new ATOM 0 HB ILE A 136 7.324 -5.760 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 136 4.349 -5.653 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 136 4.997 -5.363 -1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.493 -6.722 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 136 7.476 -5.266 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.702 -5.176 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.308 -7.696 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 136 6.068 -7.588 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.410 -7.882 0.576 1.00 0.00 H new ATOM 606 N ASN A 137 8.901 -3.327 0.542 1.00 0.00 N ATOM 607 CA ASN A 137 10.098 -2.828 1.209 1.00 0.00 C ATOM 608 C ASN A 137 9.964 -1.341 1.528 1.00 0.00 C ATOM 609 O ASN A 137 10.310 -0.897 2.623 1.00 0.00 O ATOM 610 CB ASN A 137 11.331 -3.064 0.334 1.00 0.00 C ATOM 611 CG ASN A 137 11.719 -4.528 0.265 1.00 0.00 C ATOM 612 OD1 ASN A 137 11.608 -5.259 1.250 1.00 0.00 O ATOM 613 ND2 ASN A 137 12.176 -4.964 -0.903 1.00 0.00 N ATOM 0 H ASN A 137 9.073 -3.757 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 137 10.215 -3.373 2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 137 11.135 -2.695 -0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 137 12.168 -2.487 0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.452 -5.940 -1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.251 -4.323 -1.693 1.00 0.00 H new ATOM 620 N ARG A 138 9.460 -0.579 0.563 1.00 0.00 N ATOM 621 CA ARG A 138 9.280 0.857 0.740 1.00 0.00 C ATOM 622 C ARG A 138 8.164 1.147 1.740 1.00 0.00 C ATOM 623 O ARG A 138 8.313 1.989 2.625 1.00 0.00 O ATOM 624 CB ARG A 138 8.963 1.522 -0.600 1.00 0.00 C ATOM 625 CG ARG A 138 10.199 1.938 -1.381 1.00 0.00 C ATOM 626 CD ARG A 138 11.001 0.729 -1.839 1.00 0.00 C ATOM 627 NE ARG A 138 11.989 0.319 -0.845 1.00 0.00 N ATOM 628 CZ ARG A 138 12.935 -0.584 -1.078 1.00 0.00 C ATOM 629 NH1 ARG A 138 13.020 -1.168 -2.265 1.00 0.00 N ATOM 630 NH2 ARG A 138 13.797 -0.905 -0.122 1.00 0.00 N ATOM 0 H ARG A 138 9.169 -0.932 -0.349 1.00 0.00 H new ATOM 0 HA ARG A 138 10.211 1.268 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.374 0.834 -1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.343 2.401 -0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.902 2.528 -2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.826 2.578 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.323 -0.101 -2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 138 11.505 0.963 -2.777 1.00 0.00 H new ATOM 0 HE ARG A 138 11.951 0.750 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 138 12.358 -0.924 -3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 138 13.747 -1.861 -2.441 1.00 0.00 H new ATOM 0 HH21 ARG A 138 13.734 -0.458 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 138 14.523 -1.598 -0.302 1.00 0.00 H new ATOM 644 N ILE A 139 7.047 0.443 1.592 1.00 0.00 N ATOM 645 CA ILE A 139 5.907 0.624 2.481 1.00 0.00 C ATOM 646 C ILE A 139 6.283 0.317 3.927 1.00 0.00 C ATOM 647 O ILE A 139 5.945 1.071 4.839 1.00 0.00 O ATOM 648 CB ILE A 139 4.724 -0.273 2.070 1.00 0.00 C ATOM 649 CG1 ILE A 139 4.199 0.139 0.693 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.615 -0.197 3.109 1.00 0.00 C ATOM 651 CD1 ILE A 139 3.541 -0.992 -0.066 1.00 0.00 C ATOM 0 H ILE A 139 6.907 -0.258 0.864 1.00 0.00 H new ATOM 0 HA ILE A 139 5.607 1.669 2.399 1.00 0.00 H new ATOM 0 HB ILE A 139 5.072 -1.304 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.481 0.950 0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 139 5.026 0.531 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.786 -0.836 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.996 -0.533 4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 139 3.267 0.832 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 139 3.193 -0.628 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 139 4.262 -1.795 -0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 139 2.693 -1.369 0.506 1.00 0.00 H new ATOM 663 N GLN A 140 6.986 -0.793 4.127 1.00 0.00 N ATOM 664 CA GLN A 140 7.410 -1.198 5.462 1.00 0.00 C ATOM 665 C GLN A 140 8.218 -0.094 6.135 1.00 0.00 C ATOM 666 O GLN A 140 8.078 0.149 7.334 1.00 0.00 O ATOM 667 CB GLN A 140 8.240 -2.481 5.389 1.00 0.00 C ATOM 668 CG GLN A 140 7.408 -3.750 5.489 1.00 0.00 C ATOM 669 CD GLN A 140 7.156 -4.171 6.923 1.00 0.00 C ATOM 670 OE1 GLN A 140 8.019 -4.767 7.568 1.00 0.00 O ATOM 671 NE2 GLN A 140 5.968 -3.863 7.430 1.00 0.00 N ATOM 0 H GLN A 140 7.274 -1.428 3.382 1.00 0.00 H new ATOM 0 HA GLN A 140 6.517 -1.384 6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 140 8.794 -2.493 4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 140 8.976 -2.474 6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 140 6.453 -3.594 4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 140 7.918 -4.557 4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 140 5.283 -3.368 6.859 1.00 0.00 H new ATOM 0 HE22 GLN A 140 5.741 -4.121 8.390 1.00 0.00 H new ATOM 680 N ASP A 141 9.064 0.572 5.357 1.00 0.00 N ATOM 681 CA ASP A 141 9.894 1.652 5.878 1.00 0.00 C ATOM 682 C ASP A 141 9.035 2.830 6.327 1.00 0.00 C ATOM 683 O ASP A 141 9.351 3.504 7.309 1.00 0.00 O ATOM 684 CB ASP A 141 10.896 2.111 4.817 1.00 0.00 C ATOM 685 CG ASP A 141 12.191 1.324 4.865 1.00 0.00 C ATOM 686 OD1 ASP A 141 12.633 0.976 5.980 1.00 0.00 O ATOM 687 OD2 ASP A 141 12.761 1.056 3.787 1.00 0.00 O ATOM 0 H ASP A 141 9.193 0.383 4.363 1.00 0.00 H new ATOM 0 HA ASP A 141 10.439 1.273 6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 141 10.448 2.007 3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.112 3.170 4.959 1.00 0.00 H new ATOM 692 N LEU A 142 7.948 3.073 5.603 1.00 0.00 N ATOM 693 CA LEU A 142 7.043 4.171 5.926 1.00 0.00 C ATOM 694 C LEU A 142 6.323 3.913 7.245 1.00 0.00 C ATOM 695 O LEU A 142 6.297 4.770 8.129 1.00 0.00 O ATOM 696 CB LEU A 142 6.022 4.363 4.803 1.00 0.00 C ATOM 697 CG LEU A 142 6.595 4.659 3.417 1.00 0.00 C ATOM 698 CD1 LEU A 142 5.489 4.672 2.374 1.00 0.00 C ATOM 699 CD2 LEU A 142 7.343 5.984 3.421 1.00 0.00 C ATOM 0 H LEU A 142 7.672 2.525 4.788 1.00 0.00 H new ATOM 0 HA LEU A 142 7.636 5.080 6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.411 3.463 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 142 5.356 5.180 5.081 1.00 0.00 H new ATOM 0 HG LEU A 142 7.299 3.868 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.916 4.884 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 142 4.997 3.699 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 142 4.760 5.442 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 142 7.744 6.178 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.660 6.786 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 142 8.161 5.938 4.139 1.00 0.00 H new ATOM 711 N LEU A 143 5.742 2.725 7.373 1.00 0.00 N ATOM 712 CA LEU A 143 5.023 2.352 8.586 1.00 0.00 C ATOM 713 C LEU A 143 5.967 2.293 9.783 1.00 0.00 C ATOM 714 O LEU A 143 5.573 2.579 10.914 1.00 0.00 O ATOM 715 CB LEU A 143 4.335 0.999 8.399 1.00 0.00 C ATOM 716 CG LEU A 143 3.038 1.012 7.588 1.00 0.00 C ATOM 717 CD1 LEU A 143 1.970 1.824 8.303 1.00 0.00 C ATOM 718 CD2 LEU A 143 3.287 1.565 6.193 1.00 0.00 C ATOM 0 H LEU A 143 5.755 2.004 6.652 1.00 0.00 H new ATOM 0 HA LEU A 143 4.268 3.114 8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.037 0.321 7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.120 0.584 9.384 1.00 0.00 H new ATOM 0 HG LEU A 143 2.682 -0.014 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 143 1.055 1.822 7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 143 1.771 1.384 9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 143 2.317 2.849 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 143 2.353 1.567 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 143 3.667 2.584 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 143 4.019 0.941 5.680 1.00 0.00 H new ATOM 730 N THR A 144 7.218 1.924 9.525 1.00 0.00 N ATOM 731 CA THR A 144 8.220 1.829 10.580 1.00 0.00 C ATOM 732 C THR A 144 8.591 3.209 11.111 1.00 0.00 C ATOM 733 O THR A 144 8.637 3.426 12.321 1.00 0.00 O ATOM 734 CB THR A 144 9.495 1.122 10.082 1.00 0.00 C ATOM 735 OG1 THR A 144 9.160 -0.148 9.512 1.00 0.00 O ATOM 736 CG2 THR A 144 10.485 0.928 11.221 1.00 0.00 C ATOM 0 H THR A 144 7.561 1.686 8.595 1.00 0.00 H new ATOM 0 HA THR A 144 7.778 1.240 11.384 1.00 0.00 H new ATOM 0 HB THR A 144 9.959 1.749 9.321 1.00 0.00 H new ATOM 0 HG1 THR A 144 9.140 -0.073 8.535 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.377 0.427 10.846 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.760 1.899 11.633 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.028 0.319 12.001 1.00 0.00 H new ATOM 744 N GLU A 145 8.856 4.138 10.197 1.00 0.00 N ATOM 745 CA GLU A 145 9.224 5.497 10.575 1.00 0.00 C ATOM 746 C GLU A 145 8.027 6.243 11.158 1.00 0.00 C ATOM 747 O GLU A 145 8.185 7.239 11.862 1.00 0.00 O ATOM 748 CB GLU A 145 9.773 6.256 9.365 1.00 0.00 C ATOM 749 CG GLU A 145 11.057 5.666 8.807 1.00 0.00 C ATOM 750 CD GLU A 145 12.265 5.978 9.669 1.00 0.00 C ATOM 751 OE1 GLU A 145 12.093 6.148 10.894 1.00 0.00 O ATOM 752 OE2 GLU A 145 13.383 6.053 9.117 1.00 0.00 O ATOM 0 H GLU A 145 8.823 3.974 9.191 1.00 0.00 H new ATOM 0 HA GLU A 145 9.999 5.437 11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 145 9.017 6.267 8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 145 9.953 7.293 9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 145 10.948 4.585 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 145 11.223 6.053 7.801 1.00 0.00 H new ATOM 759 N GLY A 146 6.828 5.752 10.857 1.00 0.00 N ATOM 760 CA GLY A 146 5.622 6.384 11.358 1.00 0.00 C ATOM 761 C GLY A 146 4.873 7.141 10.278 1.00 0.00 C ATOM 762 O GLY A 146 3.672 7.384 10.399 1.00 0.00 O ATOM 0 H GLY A 146 6.671 4.929 10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 146 4.968 5.624 11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 146 5.883 7.070 12.164 1.00 0.00 H new ATOM 766 N THR A 147 5.584 7.517 9.220 1.00 0.00 N ATOM 767 CA THR A 147 4.981 8.254 8.116 1.00 0.00 C ATOM 768 C THR A 147 3.573 7.748 7.822 1.00 0.00 C ATOM 769 O THR A 147 2.687 8.523 7.460 1.00 0.00 O ATOM 770 CB THR A 147 5.831 8.144 6.837 1.00 0.00 C ATOM 771 OG1 THR A 147 7.038 8.901 6.984 1.00 0.00 O ATOM 772 CG2 THR A 147 5.056 8.646 5.627 1.00 0.00 C ATOM 0 H THR A 147 6.579 7.323 9.104 1.00 0.00 H new ATOM 0 HA THR A 147 4.932 9.299 8.422 1.00 0.00 H new ATOM 0 HB THR A 147 6.078 7.094 6.681 1.00 0.00 H new ATOM 0 HG1 THR A 147 7.574 8.824 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 147 5.677 8.558 4.735 1.00 0.00 H new ATOM 0 HG22 THR A 147 4.153 8.049 5.500 1.00 0.00 H new ATOM 0 HG23 THR A 147 4.783 9.690 5.778 1.00 0.00 H new ATOM 780 N LEU A 148 3.373 6.444 7.980 1.00 0.00 N ATOM 781 CA LEU A 148 2.072 5.834 7.732 1.00 0.00 C ATOM 782 C LEU A 148 1.697 4.874 8.857 1.00 0.00 C ATOM 783 O LEU A 148 2.566 4.289 9.505 1.00 0.00 O ATOM 784 CB LEU A 148 2.081 5.092 6.395 1.00 0.00 C ATOM 785 CG LEU A 148 1.994 5.965 5.142 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.356 5.160 3.904 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.601 6.562 5.004 1.00 0.00 C ATOM 0 H LEU A 148 4.096 5.789 8.279 1.00 0.00 H new ATOM 0 HA LEU A 148 1.327 6.629 7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 148 2.994 4.499 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 148 1.245 4.392 6.385 1.00 0.00 H new ATOM 0 HG LEU A 148 2.709 6.781 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.288 5.798 3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.374 4.781 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 148 1.666 4.323 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.557 7.180 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -0.133 5.760 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.379 7.175 5.878 1.00 0.00 H new ATOM 799 N THR A 149 0.396 4.714 9.083 1.00 0.00 N ATOM 800 CA THR A 149 -0.094 3.824 10.128 1.00 0.00 C ATOM 801 C THR A 149 -1.138 2.858 9.582 1.00 0.00 C ATOM 802 O THR A 149 -2.161 3.274 9.040 1.00 0.00 O ATOM 803 CB THR A 149 -0.707 4.617 11.298 1.00 0.00 C ATOM 804 OG1 THR A 149 -1.794 5.421 10.829 1.00 0.00 O ATOM 805 CG2 THR A 149 0.339 5.503 11.958 1.00 0.00 C ATOM 0 H THR A 149 -0.337 5.189 8.556 1.00 0.00 H new ATOM 0 HA THR A 149 0.765 3.259 10.491 1.00 0.00 H new ATOM 0 HB THR A 149 -1.075 3.905 12.037 1.00 0.00 H new ATOM 0 HG1 THR A 149 -2.168 5.023 10.015 1.00 0.00 H new ATOM 0 HG21 THR A 149 -0.117 6.053 12.781 1.00 0.00 H new ATOM 0 HG22 THR A 149 1.151 4.884 12.341 1.00 0.00 H new ATOM 0 HG23 THR A 149 0.734 6.207 11.226 1.00 0.00 H new ATOM 813 N GLY A 150 -0.873 1.563 9.728 1.00 0.00 N ATOM 814 CA GLY A 150 -1.801 0.557 9.244 1.00 0.00 C ATOM 815 C GLY A 150 -1.463 -0.833 9.748 1.00 0.00 C ATOM 816 O GLY A 150 -0.444 -1.031 10.409 1.00 0.00 O ATOM 0 H GLY A 150 -0.033 1.193 10.172 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.812 0.818 9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.796 0.556 8.154 1.00 0.00 H new ATOM 820 N VAL A 151 -2.322 -1.798 9.436 1.00 0.00 N ATOM 821 CA VAL A 151 -2.111 -3.176 9.862 1.00 0.00 C ATOM 822 C VAL A 151 -2.016 -4.114 8.664 1.00 0.00 C ATOM 823 O VAL A 151 -2.490 -3.793 7.573 1.00 0.00 O ATOM 824 CB VAL A 151 -3.244 -3.658 10.788 1.00 0.00 C ATOM 825 CG1 VAL A 151 -3.299 -2.810 12.049 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.577 -3.628 10.057 1.00 0.00 C ATOM 0 H VAL A 151 -3.171 -1.651 8.890 1.00 0.00 H new ATOM 0 HA VAL A 151 -1.170 -3.196 10.411 1.00 0.00 H new ATOM 0 HB VAL A 151 -3.039 -4.688 11.080 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -4.105 -3.165 12.691 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -2.351 -2.887 12.581 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -3.481 -1.769 11.780 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.366 -3.972 10.726 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -4.792 -2.609 9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.529 -4.282 9.186 1.00 0.00 H new ATOM 836 N ILE A 152 -1.401 -5.273 8.873 1.00 0.00 N ATOM 837 CA ILE A 152 -1.245 -6.257 7.810 1.00 0.00 C ATOM 838 C ILE A 152 -1.780 -7.619 8.240 1.00 0.00 C ATOM 839 O ILE A 152 -1.496 -8.090 9.341 1.00 0.00 O ATOM 840 CB ILE A 152 0.230 -6.406 7.392 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.765 -5.080 6.849 1.00 0.00 C ATOM 842 CG2 ILE A 152 0.378 -7.509 6.354 1.00 0.00 C ATOM 843 CD1 ILE A 152 2.265 -5.069 6.650 1.00 0.00 C ATOM 0 H ILE A 152 -1.003 -5.553 9.769 1.00 0.00 H new ATOM 0 HA ILE A 152 -1.820 -5.895 6.958 1.00 0.00 H new ATOM 0 HB ILE A 152 0.815 -6.680 8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 152 0.279 -4.864 5.898 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.492 -4.279 7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 152 1.426 -7.602 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 152 0.031 -8.453 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.217 -7.263 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.574 -4.098 6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.760 -5.254 7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.544 -5.848 5.940 1.00 0.00 H new ATOM 855 N ASP A 153 -2.554 -8.248 7.362 1.00 0.00 N ATOM 856 CA ASP A 153 -3.127 -9.558 7.648 1.00 0.00 C ATOM 857 C ASP A 153 -2.360 -10.658 6.919 1.00 0.00 C ATOM 858 O ASP A 153 -1.550 -10.381 6.035 1.00 0.00 O ATOM 859 CB ASP A 153 -4.601 -9.593 7.244 1.00 0.00 C ATOM 860 CG ASP A 153 -5.341 -10.768 7.853 1.00 0.00 C ATOM 861 OD1 ASP A 153 -5.439 -10.828 9.097 1.00 0.00 O ATOM 862 OD2 ASP A 153 -5.822 -11.628 7.086 1.00 0.00 O ATOM 0 H ASP A 153 -2.799 -7.872 6.446 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.048 -9.735 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.082 -8.665 7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -4.676 -9.644 6.158 1.00 0.00 H new ATOM 867 N ASP A 154 -2.622 -11.904 7.297 1.00 0.00 N ATOM 868 CA ASP A 154 -1.957 -13.046 6.680 1.00 0.00 C ATOM 869 C ASP A 154 -2.025 -12.956 5.158 1.00 0.00 C ATOM 870 O ASP A 154 -1.211 -13.554 4.455 1.00 0.00 O ATOM 871 CB ASP A 154 -2.595 -14.353 7.154 1.00 0.00 C ATOM 872 CG ASP A 154 -2.397 -14.587 8.639 1.00 0.00 C ATOM 873 OD1 ASP A 154 -1.234 -14.752 9.064 1.00 0.00 O ATOM 874 OD2 ASP A 154 -3.405 -14.605 9.376 1.00 0.00 O ATOM 0 H ASP A 154 -3.290 -12.149 8.028 1.00 0.00 H new ATOM 0 HA ASP A 154 -0.910 -13.032 6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -3.662 -14.335 6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -2.166 -15.186 6.597 1.00 0.00 H new ATOM 879 N ARG A 155 -3.001 -12.206 4.657 1.00 0.00 N ATOM 880 CA ARG A 155 -3.176 -12.040 3.220 1.00 0.00 C ATOM 881 C ARG A 155 -2.363 -10.854 2.706 1.00 0.00 C ATOM 882 O ARG A 155 -2.660 -10.296 1.651 1.00 0.00 O ATOM 883 CB ARG A 155 -4.655 -11.841 2.884 1.00 0.00 C ATOM 884 CG ARG A 155 -5.001 -12.170 1.441 1.00 0.00 C ATOM 885 CD ARG A 155 -6.489 -12.436 1.272 1.00 0.00 C ATOM 886 NE ARG A 155 -6.815 -12.887 -0.079 1.00 0.00 N ATOM 887 CZ ARG A 155 -8.054 -12.960 -0.550 1.00 0.00 C ATOM 888 NH1 ARG A 155 -9.080 -12.613 0.215 1.00 0.00 N ATOM 889 NH2 ARG A 155 -8.270 -13.380 -1.790 1.00 0.00 N ATOM 0 H ARG A 155 -3.683 -11.704 5.226 1.00 0.00 H new ATOM 0 HA ARG A 155 -2.817 -12.945 2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -5.256 -12.466 3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -4.929 -10.806 3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -4.702 -11.343 0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -4.435 -13.045 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -6.806 -13.190 1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -7.047 -11.527 1.495 1.00 0.00 H new ATOM 0 HE ARG A 155 -6.049 -13.161 -0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -8.919 -12.289 1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -10.031 -12.670 -0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -7.484 -13.647 -2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -9.222 -13.436 -2.151 1.00 0.00 H new ATOM 903 N GLY A 156 -1.336 -10.476 3.461 1.00 0.00 N ATOM 904 CA GLY A 156 -0.497 -9.359 3.067 1.00 0.00 C ATOM 905 C GLY A 156 -1.303 -8.183 2.552 1.00 0.00 C ATOM 906 O GLY A 156 -0.881 -7.490 1.625 1.00 0.00 O ATOM 0 H GLY A 156 -1.070 -10.923 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.102 -9.040 3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 156 0.198 -9.686 2.294 1.00 0.00 H new ATOM 910 N LYS A 157 -2.467 -7.957 3.151 1.00 0.00 N ATOM 911 CA LYS A 157 -3.334 -6.857 2.748 1.00 0.00 C ATOM 912 C LYS A 157 -3.016 -5.593 3.541 1.00 0.00 C ATOM 913 O LYS A 157 -2.681 -5.659 4.724 1.00 0.00 O ATOM 914 CB LYS A 157 -4.803 -7.239 2.947 1.00 0.00 C ATOM 915 CG LYS A 157 -5.745 -6.564 1.965 1.00 0.00 C ATOM 916 CD LYS A 157 -6.252 -5.236 2.502 1.00 0.00 C ATOM 917 CE LYS A 157 -7.535 -5.410 3.298 1.00 0.00 C ATOM 918 NZ LYS A 157 -8.711 -5.639 2.413 1.00 0.00 N ATOM 0 H LYS A 157 -2.832 -8.522 3.918 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.156 -6.656 1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -4.905 -8.320 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.103 -6.980 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.230 -6.402 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -6.590 -7.221 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.489 -4.783 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.427 -4.550 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -7.426 -6.251 3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -7.707 -4.523 3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -9.585 -5.567 2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -8.722 -4.923 1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -8.648 -6.587 1.990 1.00 0.00 H new ATOM 932 N PHE A 158 -3.123 -4.444 2.883 1.00 0.00 N ATOM 933 CA PHE A 158 -2.847 -3.165 3.527 1.00 0.00 C ATOM 934 C PHE A 158 -4.143 -2.430 3.855 1.00 0.00 C ATOM 935 O PHE A 158 -5.059 -2.369 3.034 1.00 0.00 O ATOM 936 CB PHE A 158 -1.967 -2.296 2.626 1.00 0.00 C ATOM 937 CG PHE A 158 -1.365 -1.116 3.334 1.00 0.00 C ATOM 938 CD1 PHE A 158 -0.644 -1.288 4.505 1.00 0.00 C ATOM 939 CD2 PHE A 158 -1.520 0.165 2.829 1.00 0.00 C ATOM 940 CE1 PHE A 158 -0.090 -0.204 5.159 1.00 0.00 C ATOM 941 CE2 PHE A 158 -0.968 1.253 3.479 1.00 0.00 C ATOM 942 CZ PHE A 158 -0.251 1.068 4.644 1.00 0.00 C ATOM 0 H PHE A 158 -3.399 -4.372 1.904 1.00 0.00 H new ATOM 0 HA PHE A 158 -2.317 -3.362 4.459 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -1.166 -2.909 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -2.562 -1.940 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.514 -2.280 4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -2.079 0.315 1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.468 -0.351 6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -1.098 2.247 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.183 1.916 5.152 1.00 0.00 H new ATOM 952 N ILE A 159 -4.212 -1.874 5.060 1.00 0.00 N ATOM 953 CA ILE A 159 -5.395 -1.142 5.496 1.00 0.00 C ATOM 954 C ILE A 159 -5.017 0.209 6.093 1.00 0.00 C ATOM 955 O ILE A 159 -4.369 0.279 7.137 1.00 0.00 O ATOM 956 CB ILE A 159 -6.200 -1.943 6.536 1.00 0.00 C ATOM 957 CG1 ILE A 159 -6.635 -3.289 5.952 1.00 0.00 C ATOM 958 CG2 ILE A 159 -7.410 -1.145 6.998 1.00 0.00 C ATOM 959 CD1 ILE A 159 -7.009 -4.311 7.002 1.00 0.00 C ATOM 0 H ILE A 159 -3.463 -1.916 5.751 1.00 0.00 H new ATOM 0 HA ILE A 159 -6.013 -0.985 4.612 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.562 -2.132 7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.487 -3.131 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -5.827 -3.688 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -7.969 -1.724 7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -7.078 -0.210 7.449 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -8.051 -0.928 6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -7.307 -5.240 6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.152 -4.499 7.649 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -7.838 -3.932 7.599 1.00 0.00 H new ATOM 971 N TYR A 160 -5.426 1.281 5.423 1.00 0.00 N ATOM 972 CA TYR A 160 -5.130 2.631 5.887 1.00 0.00 C ATOM 973 C TYR A 160 -6.373 3.289 6.477 1.00 0.00 C ATOM 974 O TYR A 160 -7.453 3.244 5.886 1.00 0.00 O ATOM 975 CB TYR A 160 -4.587 3.480 4.736 1.00 0.00 C ATOM 976 CG TYR A 160 -3.806 4.691 5.194 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.570 4.551 5.813 1.00 0.00 C ATOM 978 CD2 TYR A 160 -4.303 5.975 5.005 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.853 5.655 6.233 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.592 7.084 5.421 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.368 6.919 6.035 1.00 0.00 C ATOM 982 OH TYR A 160 -1.656 8.021 6.450 1.00 0.00 O ATOM 0 H TYR A 160 -5.963 1.241 4.557 1.00 0.00 H new ATOM 0 HA TYR A 160 -4.373 2.562 6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -3.946 2.860 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -5.419 3.809 4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -2.163 3.563 5.968 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -5.261 6.108 4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -0.894 5.529 6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -3.992 8.075 5.266 1.00 0.00 H new ATOM 0 HH TYR A 160 -2.158 8.835 6.235 1.00 0.00 H new ATOM 992 N ILE A 161 -6.212 3.901 7.646 1.00 0.00 N ATOM 993 CA ILE A 161 -7.320 4.570 8.316 1.00 0.00 C ATOM 994 C ILE A 161 -7.231 6.083 8.148 1.00 0.00 C ATOM 995 O ILE A 161 -6.368 6.735 8.738 1.00 0.00 O ATOM 996 CB ILE A 161 -7.356 4.233 9.818 1.00 0.00 C ATOM 997 CG1 ILE A 161 -7.492 2.722 10.021 1.00 0.00 C ATOM 998 CG2 ILE A 161 -8.500 4.969 10.499 1.00 0.00 C ATOM 999 CD1 ILE A 161 -7.064 2.256 11.395 1.00 0.00 C ATOM 0 H ILE A 161 -5.325 3.947 8.148 1.00 0.00 H new ATOM 0 HA ILE A 161 -8.236 4.208 7.849 1.00 0.00 H new ATOM 0 HB ILE A 161 -6.420 4.559 10.271 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -8.530 2.433 9.855 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -6.894 2.207 9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -8.512 4.720 11.560 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -8.363 6.044 10.380 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -9.445 4.671 10.046 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.187 1.175 11.468 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -6.017 2.513 11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -7.679 2.743 12.152 1.00 0.00 H new