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 Set 1.1: A 112 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 127 GLN : amide:sc= -0.583 K(o=-0.58,f=-1.5) USER MOD Set 2.1: A 114 LYS NZ :NH3+ 157:sc= 0.334 (180deg=-0.743) USER MOD Set 2.2: A 160 TYR OH : rot -30:sc= -0.344 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0278 K(o=-0.028,f=-1.5) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 86:sc= 0.452 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -145:sc= -0.151 (180deg=-0.784) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN :FLIP amide:sc= -0.0526 F(o=-0.71,f=-0.053) USER MOD Single : A 137 ASN : amide:sc= -0.529 K(o=-0.53,f=-1.3) USER MOD Single : A 140 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.5) USER MOD Single : A 144 THR OG1 : rot 62:sc= 1.26 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 40:sc= 0.211 USER MOD Single : A 157 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.279) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.127 10.107 -6.342 1.00 0.00 N ATOM 67 CA PHE A 105 7.525 8.783 -6.232 1.00 0.00 C ATOM 68 C PHE A 105 6.921 8.574 -4.846 1.00 0.00 C ATOM 69 O PHE A 105 5.851 7.981 -4.705 1.00 0.00 O ATOM 70 CB PHE A 105 8.567 7.700 -6.515 1.00 0.00 C ATOM 71 CG PHE A 105 8.234 6.371 -5.898 1.00 0.00 C ATOM 72 CD1 PHE A 105 7.134 5.648 -6.332 1.00 0.00 C ATOM 73 CD2 PHE A 105 9.019 5.846 -4.885 1.00 0.00 C ATOM 74 CE1 PHE A 105 6.825 4.426 -5.766 1.00 0.00 C ATOM 75 CE2 PHE A 105 8.715 4.624 -4.315 1.00 0.00 C ATOM 76 CZ PHE A 105 7.617 3.912 -4.757 1.00 0.00 C ATOM 0 HA PHE A 105 6.727 8.711 -6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.667 7.576 -7.593 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.535 8.032 -6.141 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.512 6.044 -7.121 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.879 6.398 -4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.965 3.873 -6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 105 9.335 4.226 -3.525 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.378 2.956 -4.315 1.00 0.00 H new ATOM 86 N LEU A 106 7.614 9.066 -3.825 1.00 0.00 N ATOM 87 CA LEU A 106 7.148 8.934 -2.449 1.00 0.00 C ATOM 88 C LEU A 106 5.896 9.772 -2.215 1.00 0.00 C ATOM 89 O LEU A 106 4.909 9.293 -1.654 1.00 0.00 O ATOM 90 CB LEU A 106 8.248 9.357 -1.474 1.00 0.00 C ATOM 91 CG LEU A 106 9.617 8.710 -1.685 1.00 0.00 C ATOM 92 CD1 LEU A 106 10.397 9.448 -2.762 1.00 0.00 C ATOM 93 CD2 LEU A 106 10.401 8.683 -0.381 1.00 0.00 C ATOM 0 H LEU A 106 8.501 9.560 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 106 6.900 7.887 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.366 10.439 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.914 9.132 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 106 9.464 7.683 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.369 8.973 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.843 9.415 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.540 10.486 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.373 8.219 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.543 9.702 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.849 8.109 0.363 1.00 0.00 H new ATOM 105 N THR A 107 5.940 11.027 -2.651 1.00 0.00 N ATOM 106 CA THR A 107 4.809 11.933 -2.491 1.00 0.00 C ATOM 107 C THR A 107 3.601 11.449 -3.284 1.00 0.00 C ATOM 108 O THR A 107 2.482 11.422 -2.773 1.00 0.00 O ATOM 109 CB THR A 107 5.166 13.362 -2.941 1.00 0.00 C ATOM 110 OG1 THR A 107 6.372 13.791 -2.300 1.00 0.00 O ATOM 111 CG2 THR A 107 4.038 14.329 -2.613 1.00 0.00 C ATOM 0 H THR A 107 6.747 11.440 -3.118 1.00 0.00 H new ATOM 0 HA THR A 107 4.562 11.946 -1.430 1.00 0.00 H new ATOM 0 HB THR A 107 5.314 13.354 -4.021 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.593 14.700 -2.593 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.312 15.332 -2.940 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.129 14.016 -3.127 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.863 14.333 -1.537 1.00 0.00 H new ATOM 119 N GLU A 108 3.834 11.066 -4.536 1.00 0.00 N ATOM 120 CA GLU A 108 2.763 10.583 -5.399 1.00 0.00 C ATOM 121 C GLU A 108 2.195 9.267 -4.876 1.00 0.00 C ATOM 122 O GLU A 108 0.993 9.017 -4.966 1.00 0.00 O ATOM 123 CB GLU A 108 3.275 10.398 -6.829 1.00 0.00 C ATOM 124 CG GLU A 108 3.213 11.664 -7.666 1.00 0.00 C ATOM 125 CD GLU A 108 3.766 11.467 -9.064 1.00 0.00 C ATOM 126 OE1 GLU A 108 3.083 10.821 -9.887 1.00 0.00 O ATOM 127 OE2 GLU A 108 4.881 11.959 -9.336 1.00 0.00 O ATOM 0 H GLU A 108 4.755 11.081 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 108 1.967 11.328 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.306 10.046 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.689 9.620 -7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.178 12.001 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.773 12.454 -7.166 1.00 0.00 H new ATOM 134 N PHE A 109 3.068 8.428 -4.329 1.00 0.00 N ATOM 135 CA PHE A 109 2.655 7.136 -3.793 1.00 0.00 C ATOM 136 C PHE A 109 1.772 7.316 -2.561 1.00 0.00 C ATOM 137 O PHE A 109 0.705 6.711 -2.456 1.00 0.00 O ATOM 138 CB PHE A 109 3.881 6.292 -3.437 1.00 0.00 C ATOM 139 CG PHE A 109 3.549 5.052 -2.657 1.00 0.00 C ATOM 140 CD1 PHE A 109 2.534 4.207 -3.074 1.00 0.00 C ATOM 141 CD2 PHE A 109 4.252 4.732 -1.507 1.00 0.00 C ATOM 142 CE1 PHE A 109 2.226 3.065 -2.358 1.00 0.00 C ATOM 143 CE2 PHE A 109 3.949 3.592 -0.786 1.00 0.00 C ATOM 144 CZ PHE A 109 2.935 2.757 -1.213 1.00 0.00 C ATOM 0 H PHE A 109 4.066 8.620 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 109 2.078 6.620 -4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.395 6.007 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.576 6.901 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.977 4.443 -3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.047 5.381 -1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.432 2.414 -2.693 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.504 3.355 0.110 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.697 1.865 -0.653 1.00 0.00 H new ATOM 154 N ILE A 110 2.226 8.151 -1.632 1.00 0.00 N ATOM 155 CA ILE A 110 1.478 8.411 -0.409 1.00 0.00 C ATOM 156 C ILE A 110 0.107 9.004 -0.718 1.00 0.00 C ATOM 157 O ILE A 110 -0.908 8.557 -0.185 1.00 0.00 O ATOM 158 CB ILE A 110 2.241 9.370 0.525 1.00 0.00 C ATOM 159 CG1 ILE A 110 3.532 8.715 1.019 1.00 0.00 C ATOM 160 CG2 ILE A 110 1.363 9.776 1.699 1.00 0.00 C ATOM 161 CD1 ILE A 110 4.500 9.690 1.652 1.00 0.00 C ATOM 0 H ILE A 110 3.108 8.659 -1.703 1.00 0.00 H new ATOM 0 HA ILE A 110 1.352 7.452 0.093 1.00 0.00 H new ATOM 0 HB ILE A 110 2.503 10.268 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.283 7.941 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.023 8.221 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.916 10.453 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.469 10.278 1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.074 8.888 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.392 9.156 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.779 10.451 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.027 10.166 2.511 1.00 0.00 H new ATOM 173 N ASN A 111 0.086 10.011 -1.584 1.00 0.00 N ATOM 174 CA ASN A 111 -1.161 10.665 -1.965 1.00 0.00 C ATOM 175 C ASN A 111 -2.181 9.644 -2.459 1.00 0.00 C ATOM 176 O ASN A 111 -3.355 9.696 -2.091 1.00 0.00 O ATOM 177 CB ASN A 111 -0.901 11.710 -3.053 1.00 0.00 C ATOM 178 CG ASN A 111 -0.176 12.930 -2.520 1.00 0.00 C ATOM 179 OD1 ASN A 111 -0.027 13.099 -1.310 1.00 0.00 O ATOM 180 ND2 ASN A 111 0.280 13.789 -3.425 1.00 0.00 N ATOM 0 H ASN A 111 0.917 10.392 -2.035 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.567 11.161 -1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.311 11.260 -3.852 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.850 12.018 -3.492 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.776 14.629 -3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.134 13.609 -4.418 1.00 0.00 H new ATOM 187 N TYR A 112 -1.726 8.717 -3.294 1.00 0.00 N ATOM 188 CA TYR A 112 -2.599 7.684 -3.839 1.00 0.00 C ATOM 189 C TYR A 112 -3.176 6.815 -2.727 1.00 0.00 C ATOM 190 O TYR A 112 -4.336 6.405 -2.782 1.00 0.00 O ATOM 191 CB TYR A 112 -1.833 6.814 -4.837 1.00 0.00 C ATOM 192 CG TYR A 112 -2.720 5.892 -5.642 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.773 6.393 -6.397 1.00 0.00 C ATOM 194 CD2 TYR A 112 -2.504 4.519 -5.649 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.586 5.554 -7.134 1.00 0.00 C ATOM 196 CE2 TYR A 112 -3.312 3.672 -6.383 1.00 0.00 C ATOM 197 CZ TYR A 112 -4.352 4.195 -7.124 1.00 0.00 C ATOM 198 OH TYR A 112 -5.159 3.356 -7.858 1.00 0.00 O ATOM 0 H TYR A 112 -0.757 8.660 -3.608 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.424 8.176 -4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.280 7.460 -5.519 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.098 6.217 -4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.959 7.457 -6.408 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.690 4.107 -5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.401 5.960 -7.715 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.131 2.607 -6.377 1.00 0.00 H new ATOM 0 HH TYR A 112 -4.859 2.430 -7.743 1.00 0.00 H new ATOM 208 N ILE A 113 -2.358 6.537 -1.717 1.00 0.00 N ATOM 209 CA ILE A 113 -2.787 5.718 -0.590 1.00 0.00 C ATOM 210 C ILE A 113 -3.889 6.411 0.205 1.00 0.00 C ATOM 211 O ILE A 113 -4.870 5.783 0.605 1.00 0.00 O ATOM 212 CB ILE A 113 -1.612 5.400 0.353 1.00 0.00 C ATOM 213 CG1 ILE A 113 -0.523 4.627 -0.395 1.00 0.00 C ATOM 214 CG2 ILE A 113 -2.099 4.607 1.557 1.00 0.00 C ATOM 215 CD1 ILE A 113 0.788 4.552 0.355 1.00 0.00 C ATOM 0 H ILE A 113 -1.395 6.867 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.172 4.787 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.186 6.339 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.878 3.615 -0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.352 5.100 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.257 4.390 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -2.842 5.190 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -2.547 3.672 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.513 3.990 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.165 5.560 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.632 4.052 1.311 1.00 0.00 H new ATOM 227 N LYS A 114 -3.722 7.710 0.429 1.00 0.00 N ATOM 228 CA LYS A 114 -4.704 8.490 1.173 1.00 0.00 C ATOM 229 C LYS A 114 -6.076 8.411 0.512 1.00 0.00 C ATOM 230 O LYS A 114 -7.080 8.142 1.172 1.00 0.00 O ATOM 231 CB LYS A 114 -4.256 9.950 1.272 1.00 0.00 C ATOM 232 CG LYS A 114 -2.943 10.135 2.013 1.00 0.00 C ATOM 233 CD LYS A 114 -3.150 10.156 3.518 1.00 0.00 C ATOM 234 CE LYS A 114 -2.032 10.908 4.224 1.00 0.00 C ATOM 235 NZ LYS A 114 -0.765 10.126 4.247 1.00 0.00 N ATOM 0 H LYS A 114 -2.916 8.245 0.106 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.780 8.071 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.157 10.360 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.032 10.526 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.259 9.328 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.474 11.066 1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.107 10.624 3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.197 9.134 3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.862 11.860 3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.336 11.136 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.040 10.773 4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.787 9.453 5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.662 9.605 3.353 1.00 0.00 H new ATOM 249 N LYS A 115 -6.112 8.646 -0.795 1.00 0.00 N ATOM 250 CA LYS A 115 -7.360 8.599 -1.547 1.00 0.00 C ATOM 251 C LYS A 115 -7.850 7.163 -1.700 1.00 0.00 C ATOM 252 O LYS A 115 -9.041 6.885 -1.560 1.00 0.00 O ATOM 253 CB LYS A 115 -7.173 9.235 -2.927 1.00 0.00 C ATOM 254 CG LYS A 115 -6.005 8.658 -3.708 1.00 0.00 C ATOM 255 CD LYS A 115 -5.993 9.158 -5.143 1.00 0.00 C ATOM 256 CE LYS A 115 -7.022 8.431 -5.995 1.00 0.00 C ATOM 257 NZ LYS A 115 -6.870 8.750 -7.442 1.00 0.00 N ATOM 0 H LYS A 115 -5.290 8.871 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.110 9.163 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -8.087 9.103 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.024 10.308 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.069 8.930 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.064 7.570 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.197 10.229 -5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.000 9.017 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.921 7.356 -5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.024 8.705 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.590 8.235 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.992 9.773 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.922 8.465 -7.763 1.00 0.00 H new ATOM 271 N SER A 116 -6.923 6.254 -1.986 1.00 0.00 N ATOM 272 CA SER A 116 -7.262 4.846 -2.159 1.00 0.00 C ATOM 273 C SER A 116 -7.658 4.214 -0.828 1.00 0.00 C ATOM 274 O SER A 116 -6.804 3.868 -0.013 1.00 0.00 O ATOM 275 CB SER A 116 -6.080 4.087 -2.765 1.00 0.00 C ATOM 276 OG SER A 116 -5.869 4.464 -4.115 1.00 0.00 O ATOM 0 H SER A 116 -5.932 6.467 -2.103 1.00 0.00 H new ATOM 0 HA SER A 116 -8.113 4.783 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.180 4.286 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.265 3.014 -2.709 1.00 0.00 H new ATOM 0 HG SER A 116 -5.295 5.258 -4.147 1.00 0.00 H new ATOM 282 N LYS A 117 -8.962 4.068 -0.615 1.00 0.00 N ATOM 283 CA LYS A 117 -9.474 3.477 0.615 1.00 0.00 C ATOM 284 C LYS A 117 -8.810 2.132 0.891 1.00 0.00 C ATOM 285 O LYS A 117 -8.358 1.869 2.006 1.00 0.00 O ATOM 286 CB LYS A 117 -10.992 3.300 0.526 1.00 0.00 C ATOM 287 CG LYS A 117 -11.767 4.593 0.713 1.00 0.00 C ATOM 288 CD LYS A 117 -13.184 4.329 1.194 1.00 0.00 C ATOM 289 CE LYS A 117 -14.132 5.442 0.775 1.00 0.00 C ATOM 290 NZ LYS A 117 -13.847 6.713 1.497 1.00 0.00 N ATOM 0 H LYS A 117 -9.683 4.351 -1.279 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.240 4.153 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -11.243 2.873 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.311 2.583 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -11.250 5.227 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -11.798 5.140 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.535 3.379 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -13.189 4.235 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -14.046 5.607 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -15.160 5.136 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -14.514 7.447 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.953 6.562 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.874 7.019 1.291 1.00 0.00 H new ATOM 304 N VAL A 118 -8.754 1.284 -0.131 1.00 0.00 N ATOM 305 CA VAL A 118 -8.142 -0.033 0.001 1.00 0.00 C ATOM 306 C VAL A 118 -7.104 -0.268 -1.090 1.00 0.00 C ATOM 307 O VAL A 118 -7.430 -0.297 -2.277 1.00 0.00 O ATOM 308 CB VAL A 118 -9.199 -1.151 -0.061 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.538 -2.517 0.044 1.00 0.00 C ATOM 310 CG2 VAL A 118 -10.236 -0.966 1.036 1.00 0.00 C ATOM 0 H VAL A 118 -9.125 1.485 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.653 -0.059 0.975 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.708 -1.093 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.300 -3.295 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.838 -2.647 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.002 -2.590 0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.975 -1.765 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.746 -0.997 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.732 -0.003 0.910 1.00 0.00 H new ATOM 320 N VAL A 119 -5.850 -0.437 -0.680 1.00 0.00 N ATOM 321 CA VAL A 119 -4.763 -0.672 -1.623 1.00 0.00 C ATOM 322 C VAL A 119 -4.124 -2.038 -1.395 1.00 0.00 C ATOM 323 O VAL A 119 -3.771 -2.390 -0.269 1.00 0.00 O ATOM 324 CB VAL A 119 -3.678 0.415 -1.510 1.00 0.00 C ATOM 325 CG1 VAL A 119 -2.533 0.128 -2.470 1.00 0.00 C ATOM 326 CG2 VAL A 119 -4.273 1.790 -1.774 1.00 0.00 C ATOM 0 H VAL A 119 -5.562 -0.415 0.298 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.197 -0.639 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.281 0.404 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.776 0.906 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.091 -0.839 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.911 0.111 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.493 2.546 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.697 1.816 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -5.056 1.994 -1.044 1.00 0.00 H new ATOM 336 N LEU A 120 -3.977 -2.803 -2.471 1.00 0.00 N ATOM 337 CA LEU A 120 -3.379 -4.131 -2.389 1.00 0.00 C ATOM 338 C LEU A 120 -1.903 -4.088 -2.772 1.00 0.00 C ATOM 339 O LEU A 120 -1.514 -3.388 -3.707 1.00 0.00 O ATOM 340 CB LEU A 120 -4.126 -5.105 -3.302 1.00 0.00 C ATOM 341 CG LEU A 120 -5.309 -5.842 -2.672 1.00 0.00 C ATOM 342 CD1 LEU A 120 -6.364 -4.855 -2.199 1.00 0.00 C ATOM 343 CD2 LEU A 120 -5.907 -6.833 -3.660 1.00 0.00 C ATOM 0 H LEU A 120 -4.264 -2.527 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.458 -4.475 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.488 -4.554 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.415 -5.846 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.947 -6.396 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.197 -5.399 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.929 -4.186 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -6.723 -4.272 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.747 -7.348 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.253 -6.300 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.149 -7.562 -3.948 1.00 0.00 H new ATOM 355 N LEU A 121 -1.087 -4.843 -2.045 1.00 0.00 N ATOM 356 CA LEU A 121 0.347 -4.893 -2.310 1.00 0.00 C ATOM 357 C LEU A 121 0.627 -5.506 -3.678 1.00 0.00 C ATOM 358 O LEU A 121 1.481 -5.025 -4.421 1.00 0.00 O ATOM 359 CB LEU A 121 1.058 -5.700 -1.222 1.00 0.00 C ATOM 360 CG LEU A 121 0.760 -5.289 0.221 1.00 0.00 C ATOM 361 CD1 LEU A 121 1.105 -6.418 1.179 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.525 -4.025 0.585 1.00 0.00 C ATOM 0 H LEU A 121 -1.393 -5.429 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 121 0.728 -3.872 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.790 -6.750 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.133 -5.625 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.306 -5.081 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.887 -6.108 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 121 0.512 -7.298 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.165 -6.658 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.301 -3.748 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.595 -4.205 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.228 -3.215 -0.082 1.00 0.00 H new ATOM 374 N GLU A 122 -0.101 -6.570 -4.004 1.00 0.00 N ATOM 375 CA GLU A 122 0.069 -7.247 -5.284 1.00 0.00 C ATOM 376 C GLU A 122 -0.329 -6.334 -6.440 1.00 0.00 C ATOM 377 O GLU A 122 0.356 -6.273 -7.461 1.00 0.00 O ATOM 378 CB GLU A 122 -0.764 -8.530 -5.323 1.00 0.00 C ATOM 379 CG GLU A 122 -0.210 -9.642 -4.448 1.00 0.00 C ATOM 380 CD GLU A 122 -0.758 -9.600 -3.034 1.00 0.00 C ATOM 381 OE1 GLU A 122 -1.139 -8.501 -2.579 1.00 0.00 O ATOM 382 OE2 GLU A 122 -0.806 -10.664 -2.384 1.00 0.00 O ATOM 0 H GLU A 122 -0.813 -6.981 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 122 1.123 -7.503 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -1.782 -8.302 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -0.823 -8.884 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.448 -10.606 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.877 -9.566 -4.415 1.00 0.00 H new ATOM 389 N ASP A 123 -1.441 -5.627 -6.272 1.00 0.00 N ATOM 390 CA ASP A 123 -1.932 -4.717 -7.300 1.00 0.00 C ATOM 391 C ASP A 123 -1.060 -3.468 -7.381 1.00 0.00 C ATOM 392 O ASP A 123 -0.881 -2.891 -8.454 1.00 0.00 O ATOM 393 CB ASP A 123 -3.382 -4.324 -7.013 1.00 0.00 C ATOM 394 CG ASP A 123 -4.147 -3.975 -8.274 1.00 0.00 C ATOM 395 OD1 ASP A 123 -3.589 -3.253 -9.127 1.00 0.00 O ATOM 396 OD2 ASP A 123 -5.304 -4.425 -8.409 1.00 0.00 O ATOM 0 H ASP A 123 -2.020 -5.667 -5.433 1.00 0.00 H new ATOM 0 HA ASP A 123 -1.887 -5.233 -8.259 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.884 -5.146 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.397 -3.471 -6.335 1.00 0.00 H new ATOM 401 N LEU A 124 -0.520 -3.055 -6.239 1.00 0.00 N ATOM 402 CA LEU A 124 0.333 -1.873 -6.180 1.00 0.00 C ATOM 403 C LEU A 124 1.586 -2.063 -7.030 1.00 0.00 C ATOM 404 O LEU A 124 2.059 -1.126 -7.673 1.00 0.00 O ATOM 405 CB LEU A 124 0.726 -1.575 -4.732 1.00 0.00 C ATOM 406 CG LEU A 124 1.407 -0.228 -4.485 1.00 0.00 C ATOM 407 CD1 LEU A 124 0.450 0.916 -4.783 1.00 0.00 C ATOM 408 CD2 LEU A 124 1.915 -0.142 -3.053 1.00 0.00 C ATOM 0 H LEU A 124 -0.658 -3.521 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.230 -1.029 -6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.172 -1.624 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.393 -2.365 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 124 2.261 -0.145 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.952 1.867 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.135 0.865 -5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.424 0.838 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.397 0.823 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.078 -0.247 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.635 -0.940 -2.874 1.00 0.00 H new ATOM 420 N ALA A 125 2.116 -3.281 -7.029 1.00 0.00 N ATOM 421 CA ALA A 125 3.311 -3.595 -7.803 1.00 0.00 C ATOM 422 C ALA A 125 3.059 -3.421 -9.297 1.00 0.00 C ATOM 423 O ALA A 125 3.859 -2.810 -10.005 1.00 0.00 O ATOM 424 CB ALA A 125 3.775 -5.013 -7.506 1.00 0.00 C ATOM 0 H ALA A 125 1.737 -4.067 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 125 4.097 -2.899 -7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.668 -5.234 -8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.004 -5.106 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.986 -5.717 -7.770 1.00 0.00 H new ATOM 430 N PHE A 126 1.941 -3.963 -9.770 1.00 0.00 N ATOM 431 CA PHE A 126 1.585 -3.869 -11.181 1.00 0.00 C ATOM 432 C PHE A 126 1.203 -2.439 -11.552 1.00 0.00 C ATOM 433 O PHE A 126 1.561 -1.948 -12.622 1.00 0.00 O ATOM 434 CB PHE A 126 0.426 -4.816 -11.500 1.00 0.00 C ATOM 435 CG PHE A 126 -0.139 -4.629 -12.879 1.00 0.00 C ATOM 436 CD1 PHE A 126 0.584 -5.012 -13.997 1.00 0.00 C ATOM 437 CD2 PHE A 126 -1.394 -4.069 -13.057 1.00 0.00 C ATOM 438 CE1 PHE A 126 0.067 -4.842 -15.267 1.00 0.00 C ATOM 439 CE2 PHE A 126 -1.917 -3.896 -14.325 1.00 0.00 C ATOM 440 CZ PHE A 126 -1.185 -4.281 -15.431 1.00 0.00 C ATOM 0 H PHE A 126 1.267 -4.471 -9.197 1.00 0.00 H new ATOM 0 HA PHE A 126 2.456 -4.158 -11.769 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.768 -5.845 -11.393 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.367 -4.666 -10.768 1.00 0.00 H new ATOM 0 HD1 PHE A 126 1.564 -5.449 -13.874 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -1.970 -3.764 -12.196 1.00 0.00 H new ATOM 0 HE1 PHE A 126 0.640 -5.147 -16.130 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -2.897 -3.460 -14.451 1.00 0.00 H new ATOM 0 HZ PHE A 126 -1.591 -4.144 -16.423 1.00 0.00 H new ATOM 450 N GLN A 127 0.475 -1.777 -10.659 1.00 0.00 N ATOM 451 CA GLN A 127 0.044 -0.403 -10.892 1.00 0.00 C ATOM 452 C GLN A 127 1.233 0.492 -11.222 1.00 0.00 C ATOM 453 O GLN A 127 1.191 1.272 -12.173 1.00 0.00 O ATOM 454 CB GLN A 127 -0.693 0.138 -9.666 1.00 0.00 C ATOM 455 CG GLN A 127 -2.182 -0.168 -9.666 1.00 0.00 C ATOM 456 CD GLN A 127 -2.912 0.486 -10.822 1.00 0.00 C ATOM 457 OE1 GLN A 127 -2.918 -0.031 -11.940 1.00 0.00 O ATOM 458 NE2 GLN A 127 -3.534 1.629 -10.560 1.00 0.00 N ATOM 0 H GLN A 127 0.171 -2.169 -9.768 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.635 -0.402 -11.744 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -0.244 -0.284 -8.767 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.553 1.218 -9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -2.327 -1.247 -9.714 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -2.619 0.171 -8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -3.504 2.022 -9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.042 2.114 -11.299 1.00 0.00 H new ATOM 467 N MET A 128 2.293 0.375 -10.429 1.00 0.00 N ATOM 468 CA MET A 128 3.495 1.174 -10.638 1.00 0.00 C ATOM 469 C MET A 128 4.595 0.342 -11.291 1.00 0.00 C ATOM 470 O MET A 128 5.678 0.846 -11.581 1.00 0.00 O ATOM 471 CB MET A 128 3.992 1.744 -9.308 1.00 0.00 C ATOM 472 CG MET A 128 2.957 2.589 -8.584 1.00 0.00 C ATOM 473 SD MET A 128 3.610 3.358 -7.089 1.00 0.00 S ATOM 474 CE MET A 128 2.330 4.560 -6.740 1.00 0.00 C ATOM 0 H MET A 128 2.344 -0.265 -9.636 1.00 0.00 H new ATOM 0 HA MET A 128 3.242 1.997 -11.306 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.295 0.921 -8.660 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.880 2.349 -9.491 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.592 3.365 -9.257 1.00 0.00 H new ATOM 0 HG3 MET A 128 2.102 1.965 -8.323 1.00 0.00 H new ATOM 0 HE1 MET A 128 2.780 5.459 -6.319 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.808 4.813 -7.662 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.622 4.140 -6.026 1.00 0.00 H new ATOM 484 N GLY A 129 4.307 -0.936 -11.518 1.00 0.00 N ATOM 485 CA GLY A 129 5.282 -1.817 -12.134 1.00 0.00 C ATOM 486 C GLY A 129 6.234 -2.426 -11.124 1.00 0.00 C ATOM 487 O GLY A 129 6.536 -3.619 -11.184 1.00 0.00 O ATOM 0 H GLY A 129 3.417 -1.377 -11.287 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.762 -2.614 -12.665 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.853 -1.259 -12.876 1.00 0.00 H new ATOM 491 N LEU A 130 6.710 -1.606 -10.193 1.00 0.00 N ATOM 492 CA LEU A 130 7.636 -2.070 -9.165 1.00 0.00 C ATOM 493 C LEU A 130 7.271 -3.475 -8.699 1.00 0.00 C ATOM 494 O LEU A 130 6.094 -3.823 -8.605 1.00 0.00 O ATOM 495 CB LEU A 130 7.632 -1.108 -7.976 1.00 0.00 C ATOM 496 CG LEU A 130 7.904 0.361 -8.300 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.582 1.241 -7.102 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.350 0.553 -8.731 1.00 0.00 C ATOM 0 H LEU A 130 6.470 -0.617 -10.129 1.00 0.00 H new ATOM 0 HA LEU A 130 8.636 -2.099 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.663 -1.177 -7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.380 -1.446 -7.259 1.00 0.00 H new ATOM 0 HG LEU A 130 7.257 0.656 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 130 7.782 2.283 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.531 1.126 -6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 130 8.202 0.945 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.526 1.605 -8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.014 0.240 -7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.548 -0.047 -9.619 1.00 0.00 H new ATOM 510 N ARG A 131 8.288 -4.278 -8.405 1.00 0.00 N ATOM 511 CA ARG A 131 8.075 -5.646 -7.947 1.00 0.00 C ATOM 512 C ARG A 131 7.315 -5.663 -6.623 1.00 0.00 C ATOM 513 O ARG A 131 7.311 -4.679 -5.884 1.00 0.00 O ATOM 514 CB ARG A 131 9.414 -6.368 -7.787 1.00 0.00 C ATOM 515 CG ARG A 131 10.058 -6.755 -9.109 1.00 0.00 C ATOM 516 CD ARG A 131 10.508 -5.529 -9.889 1.00 0.00 C ATOM 517 NE ARG A 131 11.132 -5.888 -11.160 1.00 0.00 N ATOM 518 CZ ARG A 131 12.387 -6.310 -11.269 1.00 0.00 C ATOM 519 NH1 ARG A 131 13.147 -6.426 -10.189 1.00 0.00 N ATOM 520 NH2 ARG A 131 12.883 -6.618 -12.460 1.00 0.00 N ATOM 0 H ARG A 131 9.268 -4.005 -8.476 1.00 0.00 H new ATOM 0 HA ARG A 131 7.478 -6.165 -8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 131 10.099 -5.727 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 131 9.264 -7.267 -7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 131 10.914 -7.403 -8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 131 9.349 -7.328 -9.707 1.00 0.00 H new ATOM 0 HD2 ARG A 131 9.650 -4.883 -10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 131 11.214 -4.956 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 131 10.574 -5.810 -12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 131 12.769 -6.191 -9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 131 14.110 -6.750 -10.276 1.00 0.00 H new ATOM 0 HH21 ARG A 131 12.301 -6.531 -13.293 1.00 0.00 H new ATOM 0 HH22 ARG A 131 13.847 -6.942 -12.543 1.00 0.00 H new ATOM 534 N THR A 132 6.671 -6.789 -6.331 1.00 0.00 N ATOM 535 CA THR A 132 5.907 -6.935 -5.099 1.00 0.00 C ATOM 536 C THR A 132 6.792 -6.729 -3.875 1.00 0.00 C ATOM 537 O THR A 132 6.389 -6.080 -2.910 1.00 0.00 O ATOM 538 CB THR A 132 5.243 -8.322 -5.011 1.00 0.00 C ATOM 539 OG1 THR A 132 4.390 -8.530 -6.142 1.00 0.00 O ATOM 540 CG2 THR A 132 4.434 -8.454 -3.729 1.00 0.00 C ATOM 0 H THR A 132 6.664 -7.613 -6.932 1.00 0.00 H new ATOM 0 HA THR A 132 5.131 -6.169 -5.116 1.00 0.00 H new ATOM 0 HB THR A 132 6.029 -9.077 -5.006 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.973 -9.415 -6.079 1.00 0.00 H new ATOM 0 HG21 THR A 132 3.974 -9.442 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 132 5.091 -8.324 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.656 -7.691 -3.709 1.00 0.00 H new ATOM 548 N GLN A 133 7.998 -7.284 -3.923 1.00 0.00 N ATOM 549 CA GLN A 133 8.940 -7.160 -2.817 1.00 0.00 C ATOM 550 C GLN A 133 9.426 -5.721 -2.674 1.00 0.00 C ATOM 551 O GLN A 133 9.554 -5.206 -1.563 1.00 0.00 O ATOM 552 CB GLN A 133 10.132 -8.095 -3.027 1.00 0.00 C ATOM 553 CG GLN A 133 10.932 -8.354 -1.760 1.00 0.00 C ATOM 554 CD GLN A 133 10.265 -9.361 -0.845 1.00 0.00 C ATOM 555 OE1 GLN A 133 9.286 -8.903 -0.074 1.00 0.00 O flip ATOM 556 NE2 GLN A 133 10.625 -10.538 -0.830 1.00 0.00 N flip ATOM 0 H GLN A 133 8.346 -7.824 -4.715 1.00 0.00 H new ATOM 0 HA GLN A 133 8.423 -7.442 -1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.773 -9.046 -3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.791 -7.666 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.925 -8.715 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 133 11.069 -7.415 -1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 133 11.382 -10.848 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 133 10.166 -11.204 -0.208 1.00 0.00 H new ATOM 565 N ASP A 134 9.695 -5.078 -3.805 1.00 0.00 N ATOM 566 CA ASP A 134 10.166 -3.698 -3.806 1.00 0.00 C ATOM 567 C ASP A 134 9.146 -2.775 -3.145 1.00 0.00 C ATOM 568 O ASP A 134 9.497 -1.947 -2.305 1.00 0.00 O ATOM 569 CB ASP A 134 10.442 -3.232 -5.236 1.00 0.00 C ATOM 570 CG ASP A 134 11.853 -3.555 -5.688 1.00 0.00 C ATOM 571 OD1 ASP A 134 12.089 -4.702 -6.123 1.00 0.00 O ATOM 572 OD2 ASP A 134 12.721 -2.662 -5.606 1.00 0.00 O ATOM 0 H ASP A 134 9.595 -5.490 -4.733 1.00 0.00 H new ATOM 0 HA ASP A 134 11.092 -3.656 -3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 134 9.730 -3.704 -5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 134 10.280 -2.156 -5.302 1.00 0.00 H new ATOM 577 N ALA A 135 7.884 -2.923 -3.532 1.00 0.00 N ATOM 578 CA ALA A 135 6.813 -2.104 -2.977 1.00 0.00 C ATOM 579 C ALA A 135 6.681 -2.319 -1.473 1.00 0.00 C ATOM 580 O ALA A 135 6.512 -1.365 -0.713 1.00 0.00 O ATOM 581 CB ALA A 135 5.497 -2.413 -3.674 1.00 0.00 C ATOM 0 H ALA A 135 7.578 -3.603 -4.228 1.00 0.00 H new ATOM 0 HA ALA A 135 7.064 -1.057 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.706 -1.794 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.591 -2.201 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 135 5.249 -3.465 -3.534 1.00 0.00 H new ATOM 587 N ILE A 136 6.758 -3.577 -1.051 1.00 0.00 N ATOM 588 CA ILE A 136 6.648 -3.915 0.362 1.00 0.00 C ATOM 589 C ILE A 136 7.770 -3.274 1.171 1.00 0.00 C ATOM 590 O ILE A 136 7.538 -2.730 2.250 1.00 0.00 O ATOM 591 CB ILE A 136 6.680 -5.440 0.580 1.00 0.00 C ATOM 592 CG1 ILE A 136 5.474 -6.099 -0.092 1.00 0.00 C ATOM 593 CG2 ILE A 136 6.706 -5.762 2.067 1.00 0.00 C ATOM 594 CD1 ILE A 136 5.653 -7.581 -0.336 1.00 0.00 C ATOM 0 H ILE A 136 6.896 -4.378 -1.667 1.00 0.00 H new ATOM 0 HA ILE A 136 5.689 -3.526 0.705 1.00 0.00 H new ATOM 0 HB ILE A 136 7.587 -5.838 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 136 4.593 -5.945 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.283 -5.603 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.728 -6.843 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 136 7.594 -5.320 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.815 -5.354 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.759 -7.981 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 136 6.515 -7.742 -0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.814 -8.089 0.615 1.00 0.00 H new ATOM 606 N ASN A 137 8.987 -3.340 0.641 1.00 0.00 N ATOM 607 CA ASN A 137 10.146 -2.764 1.313 1.00 0.00 C ATOM 608 C ASN A 137 9.941 -1.275 1.570 1.00 0.00 C ATOM 609 O ASN A 137 10.235 -0.776 2.657 1.00 0.00 O ATOM 610 CB ASN A 137 11.407 -2.980 0.474 1.00 0.00 C ATOM 611 CG ASN A 137 11.690 -4.448 0.221 1.00 0.00 C ATOM 612 OD1 ASN A 137 11.292 -5.312 1.003 1.00 0.00 O ATOM 613 ND2 ASN A 137 12.381 -4.737 -0.876 1.00 0.00 N ATOM 0 H ASN A 137 9.196 -3.787 -0.252 1.00 0.00 H new ATOM 0 HA ASN A 137 10.266 -3.267 2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 137 11.298 -2.464 -0.480 1.00 0.00 H new ATOM 0 HB3 ASN A 137 12.260 -2.531 0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.602 -5.708 -1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.691 -3.988 -1.496 1.00 0.00 H new ATOM 620 N ARG A 138 9.434 -0.570 0.564 1.00 0.00 N ATOM 621 CA ARG A 138 9.190 0.863 0.681 1.00 0.00 C ATOM 622 C ARG A 138 8.061 1.143 1.669 1.00 0.00 C ATOM 623 O ARG A 138 8.156 2.054 2.492 1.00 0.00 O ATOM 624 CB ARG A 138 8.845 1.456 -0.686 1.00 0.00 C ATOM 625 CG ARG A 138 10.058 1.940 -1.464 1.00 0.00 C ATOM 626 CD ARG A 138 10.482 3.333 -1.025 1.00 0.00 C ATOM 627 NE ARG A 138 11.405 3.293 0.107 1.00 0.00 N ATOM 628 CZ ARG A 138 11.848 4.378 0.732 1.00 0.00 C ATOM 629 NH1 ARG A 138 11.455 5.581 0.338 1.00 0.00 N ATOM 630 NH2 ARG A 138 12.686 4.260 1.754 1.00 0.00 N ATOM 0 H ARG A 138 9.184 -0.968 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 138 10.100 1.332 1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.321 0.705 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.156 2.290 -0.548 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.885 1.245 -1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 138 9.829 1.947 -2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.956 3.848 -1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.599 3.912 -0.753 1.00 0.00 H new ATOM 0 HE ARG A 138 11.727 2.382 0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 138 10.811 5.675 -0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 138 11.797 6.412 0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 138 12.990 3.336 2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 138 13.026 5.094 2.234 1.00 0.00 H new ATOM 644 N ILE A 139 6.995 0.355 1.580 1.00 0.00 N ATOM 645 CA ILE A 139 5.849 0.518 2.466 1.00 0.00 C ATOM 646 C ILE A 139 6.239 0.271 3.919 1.00 0.00 C ATOM 647 O ILE A 139 5.860 1.030 4.811 1.00 0.00 O ATOM 648 CB ILE A 139 4.702 -0.435 2.084 1.00 0.00 C ATOM 649 CG1 ILE A 139 4.085 -0.017 0.748 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.645 -0.457 3.178 1.00 0.00 C ATOM 651 CD1 ILE A 139 3.370 -1.142 0.033 1.00 0.00 C ATOM 0 H ILE A 139 6.901 -0.403 0.903 1.00 0.00 H new ATOM 0 HA ILE A 139 5.507 1.547 2.354 1.00 0.00 H new ATOM 0 HB ILE A 139 5.107 -1.441 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.382 0.797 0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.871 0.373 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.841 -1.135 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 139 4.094 -0.798 4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 139 3.242 0.546 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.958 -0.773 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 139 4.074 -1.948 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 139 2.562 -1.517 0.661 1.00 0.00 H new ATOM 663 N GLN A 140 6.998 -0.795 4.150 1.00 0.00 N ATOM 664 CA GLN A 140 7.440 -1.142 5.495 1.00 0.00 C ATOM 665 C GLN A 140 8.201 0.015 6.133 1.00 0.00 C ATOM 666 O GLN A 140 8.083 0.262 7.334 1.00 0.00 O ATOM 667 CB GLN A 140 8.322 -2.391 5.460 1.00 0.00 C ATOM 668 CG GLN A 140 7.542 -3.691 5.562 1.00 0.00 C ATOM 669 CD GLN A 140 6.546 -3.685 6.705 1.00 0.00 C ATOM 670 OE1 GLN A 140 6.920 -3.816 7.871 1.00 0.00 O ATOM 671 NE2 GLN A 140 5.268 -3.532 6.377 1.00 0.00 N ATOM 0 H GLN A 140 7.320 -1.434 3.423 1.00 0.00 H new ATOM 0 HA GLN A 140 6.556 -1.348 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 140 8.897 -2.394 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 140 9.039 -2.342 6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 140 7.013 -3.868 4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 140 8.238 -4.519 5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 140 5.002 -3.427 5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.553 -3.520 7.104 1.00 0.00 H new ATOM 680 N ASP A 141 8.982 0.722 5.323 1.00 0.00 N ATOM 681 CA ASP A 141 9.762 1.854 5.808 1.00 0.00 C ATOM 682 C ASP A 141 8.850 2.998 6.238 1.00 0.00 C ATOM 683 O ASP A 141 9.146 3.717 7.194 1.00 0.00 O ATOM 684 CB ASP A 141 10.729 2.335 4.726 1.00 0.00 C ATOM 685 CG ASP A 141 12.046 1.584 4.750 1.00 0.00 C ATOM 686 OD1 ASP A 141 12.741 1.638 5.786 1.00 0.00 O ATOM 687 OD2 ASP A 141 12.381 0.942 3.733 1.00 0.00 O ATOM 0 H ASP A 141 9.091 0.531 4.327 1.00 0.00 H new ATOM 0 HA ASP A 141 10.334 1.524 6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 141 10.264 2.215 3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 141 10.919 3.400 4.860 1.00 0.00 H new ATOM 692 N LEU A 142 7.740 3.163 5.526 1.00 0.00 N ATOM 693 CA LEU A 142 6.784 4.222 5.833 1.00 0.00 C ATOM 694 C LEU A 142 6.070 3.945 7.152 1.00 0.00 C ATOM 695 O LEU A 142 5.872 4.849 7.965 1.00 0.00 O ATOM 696 CB LEU A 142 5.761 4.354 4.704 1.00 0.00 C ATOM 697 CG LEU A 142 6.295 4.884 3.373 1.00 0.00 C ATOM 698 CD1 LEU A 142 5.270 4.682 2.268 1.00 0.00 C ATOM 699 CD2 LEU A 142 6.666 6.355 3.495 1.00 0.00 C ATOM 0 H LEU A 142 7.480 2.577 4.732 1.00 0.00 H new ATOM 0 HA LEU A 142 7.334 5.158 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.314 3.375 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 142 4.961 5.014 5.041 1.00 0.00 H new ATOM 0 HG LEU A 142 7.193 4.323 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.668 5.065 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.053 3.619 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 142 4.354 5.217 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 142 7.044 6.715 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 142 5.784 6.930 3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 142 7.436 6.474 4.258 1.00 0.00 H new ATOM 711 N LEU A 143 5.689 2.689 7.360 1.00 0.00 N ATOM 712 CA LEU A 143 4.999 2.292 8.583 1.00 0.00 C ATOM 713 C LEU A 143 5.953 2.295 9.772 1.00 0.00 C ATOM 714 O LEU A 143 5.552 2.572 10.904 1.00 0.00 O ATOM 715 CB LEU A 143 4.381 0.902 8.414 1.00 0.00 C ATOM 716 CG LEU A 143 3.056 0.845 7.653 1.00 0.00 C ATOM 717 CD1 LEU A 143 1.908 1.290 8.546 1.00 0.00 C ATOM 718 CD2 LEU A 143 3.123 1.705 6.400 1.00 0.00 C ATOM 0 H LEU A 143 5.846 1.929 6.698 1.00 0.00 H new ATOM 0 HA LEU A 143 4.206 3.015 8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.101 0.266 7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.227 0.472 9.404 1.00 0.00 H new ATOM 0 HG LEU A 143 2.876 -0.187 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 143 0.973 1.243 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 143 1.846 0.633 9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 143 2.081 2.314 8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 143 2.171 1.652 5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 143 3.326 2.739 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 143 3.919 1.341 5.751 1.00 0.00 H new ATOM 730 N THR A 144 7.220 1.989 9.510 1.00 0.00 N ATOM 731 CA THR A 144 8.232 1.958 10.558 1.00 0.00 C ATOM 732 C THR A 144 8.532 3.361 11.074 1.00 0.00 C ATOM 733 O THR A 144 8.695 3.568 12.276 1.00 0.00 O ATOM 734 CB THR A 144 9.539 1.316 10.058 1.00 0.00 C ATOM 735 OG1 THR A 144 9.309 -0.052 9.704 1.00 0.00 O ATOM 736 CG2 THR A 144 10.623 1.395 11.122 1.00 0.00 C ATOM 0 H THR A 144 7.570 1.759 8.580 1.00 0.00 H new ATOM 0 HA THR A 144 7.828 1.354 11.370 1.00 0.00 H new ATOM 0 HB THR A 144 9.875 1.866 9.179 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.656 -0.096 8.975 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.537 0.935 10.745 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.817 2.439 11.367 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.293 0.867 12.017 1.00 0.00 H new ATOM 744 N GLU A 145 8.604 4.320 10.157 1.00 0.00 N ATOM 745 CA GLU A 145 8.886 5.704 10.521 1.00 0.00 C ATOM 746 C GLU A 145 7.643 6.379 11.094 1.00 0.00 C ATOM 747 O GLU A 145 7.737 7.396 11.780 1.00 0.00 O ATOM 748 CB GLU A 145 9.387 6.483 9.303 1.00 0.00 C ATOM 749 CG GLU A 145 10.671 5.927 8.710 1.00 0.00 C ATOM 750 CD GLU A 145 11.874 6.157 9.604 1.00 0.00 C ATOM 751 OE1 GLU A 145 12.465 7.255 9.531 1.00 0.00 O ATOM 752 OE2 GLU A 145 12.225 5.240 10.376 1.00 0.00 O ATOM 0 H GLU A 145 8.471 4.165 9.158 1.00 0.00 H new ATOM 0 HA GLU A 145 9.663 5.701 11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.612 6.480 8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 145 9.549 7.522 9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 145 10.553 4.858 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.850 6.391 7.740 1.00 0.00 H new ATOM 759 N GLY A 146 6.479 5.806 10.806 1.00 0.00 N ATOM 760 CA GLY A 146 5.234 6.365 11.300 1.00 0.00 C ATOM 761 C GLY A 146 4.495 7.159 10.241 1.00 0.00 C ATOM 762 O GLY A 146 3.287 7.375 10.345 1.00 0.00 O ATOM 0 H GLY A 146 6.376 4.964 10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 146 4.594 5.559 11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 146 5.442 7.010 12.154 1.00 0.00 H new ATOM 766 N THR A 147 5.222 7.597 9.217 1.00 0.00 N ATOM 767 CA THR A 147 4.629 8.374 8.136 1.00 0.00 C ATOM 768 C THR A 147 3.256 7.830 7.756 1.00 0.00 C ATOM 769 O THR A 147 2.325 8.592 7.494 1.00 0.00 O ATOM 770 CB THR A 147 5.530 8.378 6.887 1.00 0.00 C ATOM 771 OG1 THR A 147 6.700 9.167 7.130 1.00 0.00 O ATOM 772 CG2 THR A 147 4.783 8.928 5.682 1.00 0.00 C ATOM 0 H THR A 147 6.222 7.426 9.114 1.00 0.00 H new ATOM 0 HA THR A 147 4.524 9.395 8.502 1.00 0.00 H new ATOM 0 HB THR A 147 5.823 7.350 6.674 1.00 0.00 H new ATOM 0 HG1 THR A 147 7.269 9.163 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 147 5.440 8.921 4.812 1.00 0.00 H new ATOM 0 HG22 THR A 147 3.909 8.308 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 147 4.464 9.950 5.887 1.00 0.00 H new ATOM 780 N LEU A 148 3.137 6.507 7.729 1.00 0.00 N ATOM 781 CA LEU A 148 1.876 5.860 7.382 1.00 0.00 C ATOM 782 C LEU A 148 1.469 4.852 8.453 1.00 0.00 C ATOM 783 O LEU A 148 2.303 4.114 8.976 1.00 0.00 O ATOM 784 CB LEU A 148 1.995 5.161 6.027 1.00 0.00 C ATOM 785 CG LEU A 148 1.967 6.070 4.798 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.447 5.318 3.566 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.567 6.623 4.576 1.00 0.00 C ATOM 0 H LEU A 148 3.897 5.862 7.943 1.00 0.00 H new ATOM 0 HA LEU A 148 1.106 6.629 7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 148 2.926 4.594 6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 148 1.182 4.440 5.940 1.00 0.00 H new ATOM 0 HG LEU A 148 2.643 6.907 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.420 5.981 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.468 4.972 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 148 1.797 4.461 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.566 7.268 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -0.130 5.799 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.261 7.199 5.449 1.00 0.00 H new ATOM 799 N THR A 149 0.178 4.826 8.773 1.00 0.00 N ATOM 800 CA THR A 149 -0.341 3.908 9.779 1.00 0.00 C ATOM 801 C THR A 149 -1.309 2.906 9.162 1.00 0.00 C ATOM 802 O THR A 149 -2.291 3.287 8.526 1.00 0.00 O ATOM 803 CB THR A 149 -1.057 4.666 10.913 1.00 0.00 C ATOM 804 OG1 THR A 149 -2.097 5.489 10.373 1.00 0.00 O ATOM 805 CG2 THR A 149 -0.075 5.527 11.693 1.00 0.00 C ATOM 0 H THR A 149 -0.526 5.430 8.350 1.00 0.00 H new ATOM 0 HA THR A 149 0.515 3.374 10.192 1.00 0.00 H new ATOM 0 HB THR A 149 -1.491 3.932 11.592 1.00 0.00 H new ATOM 0 HG1 THR A 149 -2.560 5.004 9.659 1.00 0.00 H new ATOM 0 HG21 THR A 149 -0.604 6.052 12.488 1.00 0.00 H new ATOM 0 HG22 THR A 149 0.698 4.894 12.128 1.00 0.00 H new ATOM 0 HG23 THR A 149 0.385 6.253 11.022 1.00 0.00 H new ATOM 813 N GLY A 150 -1.027 1.621 9.356 1.00 0.00 N ATOM 814 CA GLY A 150 -1.883 0.583 8.812 1.00 0.00 C ATOM 815 C GLY A 150 -1.597 -0.779 9.413 1.00 0.00 C ATOM 816 O GLY A 150 -0.657 -0.937 10.192 1.00 0.00 O ATOM 0 H GLY A 150 -0.221 1.281 9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.926 0.845 8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.749 0.535 7.731 1.00 0.00 H new ATOM 820 N VAL A 151 -2.412 -1.766 9.054 1.00 0.00 N ATOM 821 CA VAL A 151 -2.242 -3.121 9.563 1.00 0.00 C ATOM 822 C VAL A 151 -2.242 -4.139 8.429 1.00 0.00 C ATOM 823 O VAL A 151 -2.950 -3.975 7.434 1.00 0.00 O ATOM 824 CB VAL A 151 -3.353 -3.487 10.566 1.00 0.00 C ATOM 825 CG1 VAL A 151 -3.264 -2.609 11.805 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.721 -3.364 9.913 1.00 0.00 C ATOM 0 H VAL A 151 -3.197 -1.652 8.412 1.00 0.00 H new ATOM 0 HA VAL A 151 -1.279 -3.149 10.072 1.00 0.00 H new ATOM 0 HB VAL A 151 -3.214 -4.523 10.874 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -4.056 -2.882 12.502 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -2.295 -2.752 12.283 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -3.377 -1.563 11.519 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.494 -3.626 10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -4.872 -2.339 9.576 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.779 -4.039 9.059 1.00 0.00 H new ATOM 836 N ILE A 152 -1.444 -5.190 8.584 1.00 0.00 N ATOM 837 CA ILE A 152 -1.354 -6.236 7.573 1.00 0.00 C ATOM 838 C ILE A 152 -2.035 -7.517 8.044 1.00 0.00 C ATOM 839 O ILE A 152 -1.832 -7.961 9.174 1.00 0.00 O ATOM 840 CB ILE A 152 0.112 -6.549 7.217 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.805 -5.299 6.672 1.00 0.00 C ATOM 842 CG2 ILE A 152 0.180 -7.683 6.205 1.00 0.00 C ATOM 843 CD1 ILE A 152 2.313 -5.411 6.638 1.00 0.00 C ATOM 0 H ILE A 152 -0.851 -5.340 9.400 1.00 0.00 H new ATOM 0 HA ILE A 152 -1.864 -5.862 6.685 1.00 0.00 H new ATOM 0 HB ILE A 152 0.632 -6.864 8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 152 0.441 -5.102 5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.526 -4.442 7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 152 1.222 -7.893 5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -0.281 -8.576 6.627 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.352 -7.394 5.298 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.737 -4.489 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.688 -5.578 7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.601 -6.247 6.001 1.00 0.00 H new ATOM 855 N ASP A 153 -2.843 -8.106 7.169 1.00 0.00 N ATOM 856 CA ASP A 153 -3.553 -9.337 7.494 1.00 0.00 C ATOM 857 C ASP A 153 -2.832 -10.550 6.913 1.00 0.00 C ATOM 858 O ASP A 153 -1.875 -10.409 6.151 1.00 0.00 O ATOM 859 CB ASP A 153 -4.987 -9.279 6.964 1.00 0.00 C ATOM 860 CG ASP A 153 -5.855 -10.392 7.519 1.00 0.00 C ATOM 861 OD1 ASP A 153 -5.679 -10.747 8.704 1.00 0.00 O ATOM 862 OD2 ASP A 153 -6.710 -10.907 6.770 1.00 0.00 O ATOM 0 H ASP A 153 -3.022 -7.751 6.230 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.578 -9.437 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.428 -8.316 7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -4.972 -9.342 5.876 1.00 0.00 H new ATOM 867 N ASP A 154 -3.297 -11.739 7.278 1.00 0.00 N ATOM 868 CA ASP A 154 -2.697 -12.976 6.793 1.00 0.00 C ATOM 869 C ASP A 154 -2.740 -13.040 5.269 1.00 0.00 C ATOM 870 O ASP A 154 -1.952 -13.752 4.645 1.00 0.00 O ATOM 871 CB ASP A 154 -3.420 -14.186 7.387 1.00 0.00 C ATOM 872 CG ASP A 154 -2.659 -15.479 7.169 1.00 0.00 C ATOM 873 OD1 ASP A 154 -1.417 -15.424 7.049 1.00 0.00 O ATOM 874 OD2 ASP A 154 -3.305 -16.547 7.119 1.00 0.00 O ATOM 0 H ASP A 154 -4.088 -11.873 7.908 1.00 0.00 H new ATOM 0 HA ASP A 154 -1.654 -12.994 7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -3.566 -14.030 8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.410 -14.270 6.939 1.00 0.00 H new ATOM 879 N ARG A 155 -3.666 -12.294 4.676 1.00 0.00 N ATOM 880 CA ARG A 155 -3.813 -12.267 3.226 1.00 0.00 C ATOM 881 C ARG A 155 -2.846 -11.267 2.599 1.00 0.00 C ATOM 882 O ARG A 155 -2.666 -11.240 1.383 1.00 0.00 O ATOM 883 CB ARG A 155 -5.250 -11.911 2.844 1.00 0.00 C ATOM 884 CG ARG A 155 -5.685 -12.484 1.505 1.00 0.00 C ATOM 885 CD ARG A 155 -5.946 -13.979 1.597 1.00 0.00 C ATOM 886 NE ARG A 155 -6.019 -14.604 0.279 1.00 0.00 N ATOM 887 CZ ARG A 155 -6.292 -15.891 0.090 1.00 0.00 C ATOM 888 NH1 ARG A 155 -6.517 -16.684 1.128 1.00 0.00 N ATOM 889 NH2 ARG A 155 -6.341 -16.386 -1.141 1.00 0.00 N ATOM 0 H ARG A 155 -4.326 -11.700 5.178 1.00 0.00 H new ATOM 0 HA ARG A 155 -3.578 -13.261 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -5.924 -12.273 3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -5.351 -10.826 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -6.588 -11.976 1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -4.914 -12.293 0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -5.153 -14.450 2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -6.880 -14.152 2.132 1.00 0.00 H new ATOM 0 HE ARG A 155 -5.851 -14.021 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -6.481 -16.307 2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -6.726 -17.671 0.980 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -6.169 -15.779 -1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -6.551 -17.374 -1.286 1.00 0.00 H new ATOM 903 N GLY A 156 -2.226 -10.444 3.440 1.00 0.00 N ATOM 904 CA GLY A 156 -1.286 -9.453 2.951 1.00 0.00 C ATOM 905 C GLY A 156 -1.978 -8.227 2.388 1.00 0.00 C ATOM 906 O GLY A 156 -1.543 -7.666 1.382 1.00 0.00 O ATOM 0 H GLY A 156 -2.358 -10.446 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -0.624 -9.152 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -0.660 -9.900 2.179 1.00 0.00 H new ATOM 910 N LYS A 157 -3.059 -7.809 3.037 1.00 0.00 N ATOM 911 CA LYS A 157 -3.814 -6.642 2.596 1.00 0.00 C ATOM 912 C LYS A 157 -3.392 -5.397 3.371 1.00 0.00 C ATOM 913 O LYS A 157 -3.053 -5.474 4.552 1.00 0.00 O ATOM 914 CB LYS A 157 -5.314 -6.882 2.774 1.00 0.00 C ATOM 915 CG LYS A 157 -6.172 -5.691 2.383 1.00 0.00 C ATOM 916 CD LYS A 157 -7.574 -5.800 2.958 1.00 0.00 C ATOM 917 CE LYS A 157 -8.507 -6.545 2.015 1.00 0.00 C ATOM 918 NZ LYS A 157 -8.459 -8.017 2.235 1.00 0.00 N ATOM 0 H LYS A 157 -3.433 -8.262 3.871 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.601 -6.481 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -5.609 -7.744 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.512 -7.135 3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.703 -4.772 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -6.228 -5.623 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -7.536 -6.317 3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -7.969 -4.802 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -9.527 -6.190 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -8.234 -6.323 0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -9.324 -8.453 1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -7.630 -8.414 1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -8.390 -8.214 3.254 1.00 0.00 H new ATOM 932 N PHE A 158 -3.418 -4.251 2.699 1.00 0.00 N ATOM 933 CA PHE A 158 -3.039 -2.989 3.325 1.00 0.00 C ATOM 934 C PHE A 158 -4.272 -2.151 3.648 1.00 0.00 C ATOM 935 O PHE A 158 -5.063 -1.825 2.763 1.00 0.00 O ATOM 936 CB PHE A 158 -2.099 -2.203 2.409 1.00 0.00 C ATOM 937 CG PHE A 158 -1.347 -1.111 3.115 1.00 0.00 C ATOM 938 CD1 PHE A 158 -0.435 -1.414 4.113 1.00 0.00 C ATOM 939 CD2 PHE A 158 -1.553 0.218 2.781 1.00 0.00 C ATOM 940 CE1 PHE A 158 0.257 -0.411 4.765 1.00 0.00 C ATOM 941 CE2 PHE A 158 -0.864 1.225 3.430 1.00 0.00 C ATOM 942 CZ PHE A 158 0.044 0.910 4.423 1.00 0.00 C ATOM 0 H PHE A 158 -3.697 -4.170 1.721 1.00 0.00 H new ATOM 0 HA PHE A 158 -2.521 -3.215 4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -1.385 -2.892 1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -2.679 -1.767 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.263 -2.445 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -2.260 0.470 2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.964 -0.660 5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -1.035 2.257 3.161 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.586 1.695 4.930 1.00 0.00 H new ATOM 952 N ILE A 159 -4.428 -1.805 4.922 1.00 0.00 N ATOM 953 CA ILE A 159 -5.563 -1.004 5.362 1.00 0.00 C ATOM 954 C ILE A 159 -5.100 0.294 6.015 1.00 0.00 C ATOM 955 O ILE A 159 -4.492 0.280 7.085 1.00 0.00 O ATOM 956 CB ILE A 159 -6.446 -1.780 6.357 1.00 0.00 C ATOM 957 CG1 ILE A 159 -6.964 -3.069 5.716 1.00 0.00 C ATOM 958 CG2 ILE A 159 -7.605 -0.912 6.824 1.00 0.00 C ATOM 959 CD1 ILE A 159 -7.545 -4.048 6.712 1.00 0.00 C ATOM 0 H ILE A 159 -3.782 -2.067 5.667 1.00 0.00 H new ATOM 0 HA ILE A 159 -6.149 -0.771 4.473 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.843 -2.045 7.225 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.727 -2.818 4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.148 -3.551 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.220 -1.474 7.527 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -7.217 -0.020 7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -8.210 -0.620 5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -7.892 -4.938 6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.779 -4.329 7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -8.383 -3.584 7.232 1.00 0.00 H new ATOM 971 N TYR A 160 -5.394 1.414 5.364 1.00 0.00 N ATOM 972 CA TYR A 160 -5.007 2.722 5.880 1.00 0.00 C ATOM 973 C TYR A 160 -6.150 3.355 6.668 1.00 0.00 C ATOM 974 O TYR A 160 -7.254 3.529 6.151 1.00 0.00 O ATOM 975 CB TYR A 160 -4.591 3.644 4.733 1.00 0.00 C ATOM 976 CG TYR A 160 -3.780 4.839 5.181 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.488 4.684 5.666 1.00 0.00 C ATOM 978 CD2 TYR A 160 -4.307 6.123 5.117 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.744 5.774 6.076 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.570 7.218 5.524 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.289 7.038 6.003 1.00 0.00 C ATOM 982 OH TYR A 160 -1.551 8.126 6.410 1.00 0.00 O ATOM 0 H TYR A 160 -5.899 1.443 4.478 1.00 0.00 H new ATOM 0 HA TYR A 160 -4.159 2.584 6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -4.010 3.071 4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -5.485 3.995 4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -2.058 3.695 5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -5.310 6.267 4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -0.741 5.636 6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -3.994 8.210 5.468 1.00 0.00 H new ATOM 0 HH TYR A 160 -0.933 7.855 7.120 1.00 0.00 H new ATOM 992 N ILE A 161 -5.876 3.699 7.922 1.00 0.00 N ATOM 993 CA ILE A 161 -6.879 4.315 8.781 1.00 0.00 C ATOM 994 C ILE A 161 -6.475 5.733 9.169 1.00 0.00 C ATOM 995 O ILE A 161 -5.776 5.943 10.161 1.00 0.00 O ATOM 996 CB ILE A 161 -7.107 3.490 10.062 1.00 0.00 C ATOM 997 CG1 ILE A 161 -7.557 2.071 9.708 1.00 0.00 C ATOM 998 CG2 ILE A 161 -8.134 4.170 10.954 1.00 0.00 C ATOM 999 CD1 ILE A 161 -7.408 1.088 10.847 1.00 0.00 C ATOM 0 H ILE A 161 -4.968 3.561 8.365 1.00 0.00 H new ATOM 0 HA ILE A 161 -7.806 4.347 8.209 1.00 0.00 H new ATOM 0 HB ILE A 161 -6.166 3.427 10.608 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -8.601 2.097 9.396 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -6.978 1.717 8.855 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -8.284 3.575 11.855 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -7.776 5.162 11.230 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -9.079 4.261 10.418 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.746 0.103 10.524 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -6.361 1.033 11.145 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -8.009 1.418 11.694 1.00 0.00 H new