USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 TYR OH : rot 15:sc= 0.391 USER MOD Set 1.2: A 127 GLN : amide:sc= 0.149 K(o=0.54,f=-0.39) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.5) USER MOD Single : A 114 LYS NZ :NH3+ -160:sc= -0.512 (180deg=-1.01) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 91:sc= 0.598 USER MOD Single : A 117 LYS NZ :NH3+ -156:sc= -0.841 (180deg=-1.8!) USER MOD Single : A 128 MET CE :methyl -119:sc= -0.0412 (180deg=-1.44) USER MOD Single : A 132 THR OG1 : rot -127:sc= 0.0243 USER MOD Single : A 133 GLN :FLIP amide:sc= -0.297 F(o=-1.1,f=-0.3) USER MOD Single : A 137 ASN :FLIP amide:sc= -1.53 F(o=-2.5,f=-1.5) USER MOD Single : A 140 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.43) USER MOD Single : A 144 THR OG1 : rot 45:sc= 1.08 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 33:sc= 0.203 USER MOD Single : A 157 LYS NZ :NH3+ 158:sc= -0.0211 (180deg=-0.694) USER MOD Single : A 160 TYR OH : rot 180:sc= -0.204 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.562 10.555 -5.945 1.00 0.00 N ATOM 67 CA PHE A 105 7.911 9.251 -5.980 1.00 0.00 C ATOM 68 C PHE A 105 7.341 8.891 -4.611 1.00 0.00 C ATOM 69 O PHE A 105 6.313 8.221 -4.510 1.00 0.00 O ATOM 70 CB PHE A 105 8.900 8.175 -6.433 1.00 0.00 C ATOM 71 CG PHE A 105 8.420 6.775 -6.179 1.00 0.00 C ATOM 72 CD1 PHE A 105 7.277 6.297 -6.799 1.00 0.00 C ATOM 73 CD2 PHE A 105 9.112 5.936 -5.320 1.00 0.00 C ATOM 74 CE1 PHE A 105 6.832 5.009 -6.566 1.00 0.00 C ATOM 75 CE2 PHE A 105 8.672 4.647 -5.083 1.00 0.00 C ATOM 76 CZ PHE A 105 7.532 4.183 -5.708 1.00 0.00 C ATOM 0 HA PHE A 105 7.089 9.302 -6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.094 8.296 -7.499 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.849 8.325 -5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.727 6.938 -7.472 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.006 6.293 -4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.938 4.649 -7.054 1.00 0.00 H new ATOM 0 HE2 PHE A 105 9.219 4.004 -4.410 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.188 3.176 -5.526 1.00 0.00 H new ATOM 86 N LEU A 106 8.017 9.341 -3.559 1.00 0.00 N ATOM 87 CA LEU A 106 7.580 9.066 -2.195 1.00 0.00 C ATOM 88 C LEU A 106 6.290 9.815 -1.875 1.00 0.00 C ATOM 89 O LEU A 106 5.338 9.238 -1.347 1.00 0.00 O ATOM 90 CB LEU A 106 8.672 9.461 -1.199 1.00 0.00 C ATOM 91 CG LEU A 106 10.043 8.821 -1.419 1.00 0.00 C ATOM 92 CD1 LEU A 106 10.895 9.686 -2.335 1.00 0.00 C ATOM 93 CD2 LEU A 106 10.746 8.597 -0.088 1.00 0.00 C ATOM 0 H LEU A 106 8.869 9.898 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 106 7.389 7.996 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.790 10.544 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.331 9.206 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 106 9.898 7.853 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.867 9.215 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.397 9.796 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.032 10.669 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.720 8.141 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.879 9.553 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.143 7.937 0.535 1.00 0.00 H new ATOM 105 N THR A 107 6.263 11.103 -2.201 1.00 0.00 N ATOM 106 CA THR A 107 5.090 11.931 -1.950 1.00 0.00 C ATOM 107 C THR A 107 3.910 11.486 -2.806 1.00 0.00 C ATOM 108 O THR A 107 2.791 11.349 -2.312 1.00 0.00 O ATOM 109 CB THR A 107 5.381 13.418 -2.230 1.00 0.00 C ATOM 110 OG1 THR A 107 6.536 13.838 -1.495 1.00 0.00 O ATOM 111 CG2 THR A 107 4.189 14.283 -1.850 1.00 0.00 C ATOM 0 H THR A 107 7.041 11.596 -2.640 1.00 0.00 H new ATOM 0 HA THR A 107 4.838 11.810 -0.897 1.00 0.00 H new ATOM 0 HB THR A 107 5.569 13.534 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.715 14.784 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.418 15.329 -2.056 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.319 13.980 -2.433 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.975 14.161 -0.788 1.00 0.00 H new ATOM 119 N GLU A 108 4.168 11.261 -4.090 1.00 0.00 N ATOM 120 CA GLU A 108 3.125 10.831 -5.014 1.00 0.00 C ATOM 121 C GLU A 108 2.649 9.420 -4.680 1.00 0.00 C ATOM 122 O GLU A 108 1.478 9.087 -4.864 1.00 0.00 O ATOM 123 CB GLU A 108 3.637 10.880 -6.455 1.00 0.00 C ATOM 124 CG GLU A 108 3.501 12.247 -7.104 1.00 0.00 C ATOM 125 CD GLU A 108 3.477 12.175 -8.618 1.00 0.00 C ATOM 126 OE1 GLU A 108 4.044 11.211 -9.174 1.00 0.00 O ATOM 127 OE2 GLU A 108 2.893 13.082 -9.247 1.00 0.00 O ATOM 0 H GLU A 108 5.089 11.369 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 108 2.282 11.514 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.686 10.583 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.091 10.149 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.585 12.722 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.330 12.879 -6.787 1.00 0.00 H new ATOM 134 N PHE A 109 3.566 8.594 -4.187 1.00 0.00 N ATOM 135 CA PHE A 109 3.242 7.219 -3.827 1.00 0.00 C ATOM 136 C PHE A 109 2.240 7.178 -2.677 1.00 0.00 C ATOM 137 O PHE A 109 1.287 6.399 -2.697 1.00 0.00 O ATOM 138 CB PHE A 109 4.512 6.458 -3.440 1.00 0.00 C ATOM 139 CG PHE A 109 4.241 5.141 -2.769 1.00 0.00 C ATOM 140 CD1 PHE A 109 3.761 4.064 -3.497 1.00 0.00 C ATOM 141 CD2 PHE A 109 4.466 4.981 -1.411 1.00 0.00 C ATOM 142 CE1 PHE A 109 3.510 2.852 -2.882 1.00 0.00 C ATOM 143 CE2 PHE A 109 4.217 3.771 -0.791 1.00 0.00 C ATOM 144 CZ PHE A 109 3.739 2.705 -1.528 1.00 0.00 C ATOM 0 H PHE A 109 4.540 8.853 -4.028 1.00 0.00 H new ATOM 0 HA PHE A 109 2.790 6.740 -4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.109 6.284 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.110 7.080 -2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.581 4.173 -4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.840 5.811 -0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.135 2.020 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.396 3.659 0.268 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.545 1.758 -1.046 1.00 0.00 H new ATOM 154 N ILE A 110 2.464 8.023 -1.676 1.00 0.00 N ATOM 155 CA ILE A 110 1.582 8.085 -0.517 1.00 0.00 C ATOM 156 C ILE A 110 0.223 8.667 -0.892 1.00 0.00 C ATOM 157 O ILE A 110 -0.812 8.225 -0.395 1.00 0.00 O ATOM 158 CB ILE A 110 2.196 8.930 0.614 1.00 0.00 C ATOM 159 CG1 ILE A 110 3.339 8.167 1.287 1.00 0.00 C ATOM 160 CG2 ILE A 110 1.131 9.305 1.633 1.00 0.00 C ATOM 161 CD1 ILE A 110 4.232 9.044 2.138 1.00 0.00 C ATOM 0 H ILE A 110 3.249 8.674 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 110 1.452 7.062 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 110 2.599 9.847 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.920 7.376 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.943 7.683 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.581 9.902 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.347 9.883 1.144 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.701 8.399 2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.020 8.437 2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.679 9.820 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.641 9.508 2.927 1.00 0.00 H new ATOM 173 N ASN A 111 0.235 9.662 -1.773 1.00 0.00 N ATOM 174 CA ASN A 111 -0.997 10.305 -2.216 1.00 0.00 C ATOM 175 C ASN A 111 -1.998 9.272 -2.725 1.00 0.00 C ATOM 176 O ASN A 111 -3.209 9.483 -2.665 1.00 0.00 O ATOM 177 CB ASN A 111 -0.698 11.326 -3.315 1.00 0.00 C ATOM 178 CG ASN A 111 0.003 12.561 -2.783 1.00 0.00 C ATOM 179 OD1 ASN A 111 0.131 12.742 -1.571 1.00 0.00 O ATOM 180 ND2 ASN A 111 0.460 13.418 -3.687 1.00 0.00 N ATOM 0 H ASN A 111 1.083 10.040 -2.194 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.436 10.819 -1.361 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.077 10.860 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.630 11.620 -3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.940 14.267 -3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.332 13.228 -4.681 1.00 0.00 H new ATOM 187 N TYR A 112 -1.483 8.154 -3.225 1.00 0.00 N ATOM 188 CA TYR A 112 -2.330 7.089 -3.746 1.00 0.00 C ATOM 189 C TYR A 112 -2.938 6.271 -2.611 1.00 0.00 C ATOM 190 O TYR A 112 -4.124 5.942 -2.634 1.00 0.00 O ATOM 191 CB TYR A 112 -1.525 6.176 -4.673 1.00 0.00 C ATOM 192 CG TYR A 112 -2.371 5.155 -5.401 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.478 5.544 -6.145 1.00 0.00 C ATOM 194 CD2 TYR A 112 -2.061 3.801 -5.345 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.253 4.614 -6.811 1.00 0.00 C ATOM 196 CE2 TYR A 112 -2.830 2.865 -6.009 1.00 0.00 C ATOM 197 CZ TYR A 112 -3.925 3.276 -6.740 1.00 0.00 C ATOM 198 OH TYR A 112 -4.694 2.347 -7.403 1.00 0.00 O ATOM 0 H TYR A 112 -0.483 7.962 -3.280 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.140 7.548 -4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.999 6.788 -5.405 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.766 5.656 -4.088 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.737 6.591 -6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.205 3.475 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.111 4.933 -7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.575 1.817 -5.956 1.00 0.00 H new ATOM 0 HH TYR A 112 -5.269 2.802 -8.053 1.00 0.00 H new ATOM 208 N ILE A 113 -2.116 5.948 -1.618 1.00 0.00 N ATOM 209 CA ILE A 113 -2.572 5.171 -0.472 1.00 0.00 C ATOM 210 C ILE A 113 -3.546 5.973 0.384 1.00 0.00 C ATOM 211 O ILE A 113 -4.593 5.469 0.791 1.00 0.00 O ATOM 212 CB ILE A 113 -1.390 4.715 0.405 1.00 0.00 C ATOM 213 CG1 ILE A 113 -0.327 4.025 -0.452 1.00 0.00 C ATOM 214 CG2 ILE A 113 -1.876 3.785 1.506 1.00 0.00 C ATOM 215 CD1 ILE A 113 1.037 3.978 0.200 1.00 0.00 C ATOM 0 H ILE A 113 -1.131 6.212 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.080 4.292 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.941 5.593 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.652 3.008 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.247 4.546 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.030 3.471 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -2.601 4.308 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -2.347 2.908 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.740 3.475 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.383 4.993 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.972 3.432 1.141 1.00 0.00 H new ATOM 227 N LYS A 114 -3.196 7.226 0.652 1.00 0.00 N ATOM 228 CA LYS A 114 -4.040 8.101 1.457 1.00 0.00 C ATOM 229 C LYS A 114 -5.454 8.165 0.890 1.00 0.00 C ATOM 230 O LYS A 114 -6.433 7.981 1.614 1.00 0.00 O ATOM 231 CB LYS A 114 -3.440 9.508 1.518 1.00 0.00 C ATOM 232 CG LYS A 114 -1.985 9.530 1.953 1.00 0.00 C ATOM 233 CD LYS A 114 -1.855 9.671 3.460 1.00 0.00 C ATOM 234 CE LYS A 114 -1.769 11.131 3.878 1.00 0.00 C ATOM 235 NZ LYS A 114 -0.630 11.830 3.221 1.00 0.00 N ATOM 0 H LYS A 114 -2.333 7.659 0.323 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.090 7.689 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.524 9.973 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.026 10.114 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.494 8.613 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.471 10.357 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.711 9.202 3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.966 9.141 3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.701 11.637 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.657 11.193 4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.392 12.687 3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.195 11.198 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.897 12.094 2.251 1.00 0.00 H new ATOM 249 N LYS A 115 -5.555 8.424 -0.409 1.00 0.00 N ATOM 250 CA LYS A 115 -6.850 8.509 -1.074 1.00 0.00 C ATOM 251 C LYS A 115 -7.482 7.128 -1.213 1.00 0.00 C ATOM 252 O LYS A 115 -8.682 6.959 -0.994 1.00 0.00 O ATOM 253 CB LYS A 115 -6.696 9.151 -2.455 1.00 0.00 C ATOM 254 CG LYS A 115 -6.103 10.549 -2.412 1.00 0.00 C ATOM 255 CD LYS A 115 -6.084 11.189 -3.790 1.00 0.00 C ATOM 256 CE LYS A 115 -5.032 10.552 -4.686 1.00 0.00 C ATOM 257 NZ LYS A 115 -5.424 10.599 -6.122 1.00 0.00 N ATOM 0 H LYS A 115 -4.755 8.579 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.504 9.129 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.062 8.515 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.672 9.194 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.683 11.170 -1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.088 10.503 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.066 11.089 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.884 12.256 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.081 11.067 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.878 9.516 -4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.681 10.155 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.319 10.086 -6.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.546 11.589 -6.416 1.00 0.00 H new ATOM 271 N SER A 116 -6.667 6.142 -1.575 1.00 0.00 N ATOM 272 CA SER A 116 -7.148 4.776 -1.745 1.00 0.00 C ATOM 273 C SER A 116 -7.510 4.157 -0.398 1.00 0.00 C ATOM 274 O SER A 116 -6.651 3.974 0.466 1.00 0.00 O ATOM 275 CB SER A 116 -6.087 3.923 -2.443 1.00 0.00 C ATOM 276 OG SER A 116 -5.963 4.280 -3.808 1.00 0.00 O ATOM 0 H SER A 116 -5.671 6.264 -1.756 1.00 0.00 H new ATOM 0 HA SER A 116 -8.044 4.806 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.127 4.049 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.352 2.869 -2.362 1.00 0.00 H new ATOM 0 HG SER A 116 -5.275 4.972 -3.904 1.00 0.00 H new ATOM 282 N LYS A 117 -8.787 3.835 -0.227 1.00 0.00 N ATOM 283 CA LYS A 117 -9.266 3.235 1.013 1.00 0.00 C ATOM 284 C LYS A 117 -8.569 1.904 1.278 1.00 0.00 C ATOM 285 O LYS A 117 -8.015 1.685 2.355 1.00 0.00 O ATOM 286 CB LYS A 117 -10.780 3.026 0.951 1.00 0.00 C ATOM 287 CG LYS A 117 -11.581 4.249 1.362 1.00 0.00 C ATOM 288 CD LYS A 117 -13.032 3.898 1.645 1.00 0.00 C ATOM 289 CE LYS A 117 -13.238 3.512 3.101 1.00 0.00 C ATOM 290 NZ LYS A 117 -12.651 2.179 3.410 1.00 0.00 N ATOM 0 H LYS A 117 -9.510 3.979 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.033 3.917 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -11.058 2.745 -0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.050 2.191 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -11.134 4.696 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -11.535 4.998 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.668 4.749 1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -13.340 3.074 1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -12.785 4.266 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -14.304 3.500 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.133 1.771 4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.772 1.548 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.638 2.286 3.618 1.00 0.00 H new ATOM 304 N VAL A 118 -8.598 1.018 0.287 1.00 0.00 N ATOM 305 CA VAL A 118 -7.967 -0.290 0.412 1.00 0.00 C ATOM 306 C VAL A 118 -7.018 -0.556 -0.751 1.00 0.00 C ATOM 307 O VAL A 118 -7.437 -0.616 -1.907 1.00 0.00 O ATOM 308 CB VAL A 118 -9.016 -1.416 0.471 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.338 -2.775 0.564 1.00 0.00 C ATOM 310 CG2 VAL A 118 -9.961 -1.202 1.644 1.00 0.00 C ATOM 0 H VAL A 118 -9.052 1.183 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.402 -0.280 1.344 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.601 -1.391 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.096 -3.558 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.706 -2.927 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.726 -2.815 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.696 -2.007 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.392 -1.199 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.473 -0.247 1.529 1.00 0.00 H new ATOM 320 N VAL A 119 -5.736 -0.715 -0.437 1.00 0.00 N ATOM 321 CA VAL A 119 -4.726 -0.976 -1.456 1.00 0.00 C ATOM 322 C VAL A 119 -4.071 -2.336 -1.244 1.00 0.00 C ATOM 323 O VAL A 119 -3.700 -2.692 -0.125 1.00 0.00 O ATOM 324 CB VAL A 119 -3.636 0.112 -1.457 1.00 0.00 C ATOM 325 CG1 VAL A 119 -2.633 -0.138 -2.573 1.00 0.00 C ATOM 326 CG2 VAL A 119 -4.261 1.492 -1.590 1.00 0.00 C ATOM 0 H VAL A 119 -5.372 -0.668 0.515 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.237 -0.968 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.104 0.070 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.870 0.641 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.162 -1.110 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.147 -0.124 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.476 2.248 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.820 1.550 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.936 1.668 -0.752 1.00 0.00 H new ATOM 336 N LEU A 120 -3.931 -3.094 -2.327 1.00 0.00 N ATOM 337 CA LEU A 120 -3.320 -4.417 -2.261 1.00 0.00 C ATOM 338 C LEU A 120 -1.856 -4.362 -2.686 1.00 0.00 C ATOM 339 O LEU A 120 -1.496 -3.644 -3.620 1.00 0.00 O ATOM 340 CB LEU A 120 -4.085 -5.398 -3.151 1.00 0.00 C ATOM 341 CG LEU A 120 -3.702 -6.872 -3.008 1.00 0.00 C ATOM 342 CD1 LEU A 120 -4.006 -7.369 -1.604 1.00 0.00 C ATOM 343 CD2 LEU A 120 -4.430 -7.715 -4.045 1.00 0.00 C ATOM 0 H LEU A 120 -4.232 -2.815 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.366 -4.761 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -5.149 -5.297 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.939 -5.104 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.630 -6.968 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.727 -8.419 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.438 -6.785 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -5.072 -7.260 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.146 -8.761 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.506 -7.614 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.160 -7.375 -5.045 1.00 0.00 H new ATOM 355 N LEU A 121 -1.017 -5.126 -1.997 1.00 0.00 N ATOM 356 CA LEU A 121 0.409 -5.167 -2.304 1.00 0.00 C ATOM 357 C LEU A 121 0.649 -5.736 -3.698 1.00 0.00 C ATOM 358 O LEU A 121 1.482 -5.229 -4.450 1.00 0.00 O ATOM 359 CB LEU A 121 1.151 -6.007 -1.263 1.00 0.00 C ATOM 360 CG LEU A 121 0.827 -5.703 0.200 1.00 0.00 C ATOM 361 CD1 LEU A 121 1.434 -6.758 1.112 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.327 -4.317 0.580 1.00 0.00 C ATOM 0 H LEU A 121 -1.299 -5.726 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 121 0.791 -4.146 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.933 -7.058 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.222 -5.872 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.256 -5.724 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 121 1.193 -6.525 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 121 1.028 -7.737 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.517 -6.769 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.088 -4.118 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.407 -4.269 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 121 0.845 -3.571 -0.051 1.00 0.00 H new ATOM 374 N GLU A 122 -0.087 -6.790 -4.037 1.00 0.00 N ATOM 375 CA GLU A 122 0.046 -7.426 -5.343 1.00 0.00 C ATOM 376 C GLU A 122 -0.386 -6.477 -6.457 1.00 0.00 C ATOM 377 O GLU A 122 0.269 -6.382 -7.495 1.00 0.00 O ATOM 378 CB GLU A 122 -0.787 -8.708 -5.397 1.00 0.00 C ATOM 379 CG GLU A 122 -0.290 -9.797 -4.462 1.00 0.00 C ATOM 380 CD GLU A 122 0.986 -10.452 -4.954 1.00 0.00 C ATOM 381 OE1 GLU A 122 1.799 -9.758 -5.599 1.00 0.00 O ATOM 382 OE2 GLU A 122 1.171 -11.659 -4.694 1.00 0.00 O ATOM 0 H GLU A 122 -0.781 -7.221 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 122 1.096 -7.677 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -1.821 -8.470 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -0.786 -9.089 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.117 -9.371 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.064 -10.556 -4.351 1.00 0.00 H new ATOM 389 N ASP A 123 -1.493 -5.778 -6.233 1.00 0.00 N ATOM 390 CA ASP A 123 -2.014 -4.836 -7.217 1.00 0.00 C ATOM 391 C ASP A 123 -1.164 -3.570 -7.261 1.00 0.00 C ATOM 392 O ASP A 123 -0.979 -2.970 -8.321 1.00 0.00 O ATOM 393 CB ASP A 123 -3.466 -4.479 -6.895 1.00 0.00 C ATOM 394 CG ASP A 123 -4.260 -4.110 -8.132 1.00 0.00 C ATOM 395 OD1 ASP A 123 -4.141 -2.954 -8.591 1.00 0.00 O ATOM 396 OD2 ASP A 123 -5.000 -4.976 -8.642 1.00 0.00 O ATOM 0 H ASP A 123 -2.047 -5.846 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 123 -1.974 -5.313 -8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.943 -5.324 -6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.485 -3.646 -6.193 1.00 0.00 H new ATOM 401 N LEU A 124 -0.651 -3.168 -6.104 1.00 0.00 N ATOM 402 CA LEU A 124 0.179 -1.972 -6.009 1.00 0.00 C ATOM 403 C LEU A 124 1.427 -2.105 -6.877 1.00 0.00 C ATOM 404 O LEU A 124 1.873 -1.137 -7.492 1.00 0.00 O ATOM 405 CB LEU A 124 0.581 -1.720 -4.554 1.00 0.00 C ATOM 406 CG LEU A 124 1.513 -0.533 -4.312 1.00 0.00 C ATOM 407 CD1 LEU A 124 0.817 0.773 -4.662 1.00 0.00 C ATOM 408 CD2 LEU A 124 1.989 -0.515 -2.866 1.00 0.00 C ATOM 0 H LEU A 124 -0.795 -3.653 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.405 -1.125 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.326 -1.570 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.063 -2.619 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 124 2.383 -0.641 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.496 1.607 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.527 0.760 -5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.072 0.889 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.652 0.337 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.129 -0.431 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.527 -1.438 -2.649 1.00 0.00 H new ATOM 420 N ALA A 125 1.984 -3.311 -6.922 1.00 0.00 N ATOM 421 CA ALA A 125 3.177 -3.571 -7.718 1.00 0.00 C ATOM 422 C ALA A 125 2.888 -3.416 -9.207 1.00 0.00 C ATOM 423 O ALA A 125 3.646 -2.770 -9.932 1.00 0.00 O ATOM 424 CB ALA A 125 3.713 -4.965 -7.425 1.00 0.00 C ATOM 0 H ALA A 125 1.628 -4.123 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 125 3.934 -2.837 -7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.604 -5.146 -8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 125 3.967 -5.042 -6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.953 -5.706 -7.671 1.00 0.00 H new ATOM 430 N PHE A 126 1.789 -4.012 -9.658 1.00 0.00 N ATOM 431 CA PHE A 126 1.402 -3.940 -11.062 1.00 0.00 C ATOM 432 C PHE A 126 0.958 -2.528 -11.432 1.00 0.00 C ATOM 433 O PHE A 126 1.270 -2.033 -12.515 1.00 0.00 O ATOM 434 CB PHE A 126 0.275 -4.934 -11.353 1.00 0.00 C ATOM 435 CG PHE A 126 -0.512 -4.603 -12.588 1.00 0.00 C ATOM 436 CD1 PHE A 126 -1.568 -3.708 -12.534 1.00 0.00 C ATOM 437 CD2 PHE A 126 -0.195 -5.186 -13.804 1.00 0.00 C ATOM 438 CE1 PHE A 126 -2.294 -3.402 -13.670 1.00 0.00 C ATOM 439 CE2 PHE A 126 -0.917 -4.884 -14.944 1.00 0.00 C ATOM 440 CZ PHE A 126 -1.968 -3.990 -14.876 1.00 0.00 C ATOM 0 H PHE A 126 1.151 -4.550 -9.072 1.00 0.00 H new ATOM 0 HA PHE A 126 2.271 -4.199 -11.667 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.700 -5.932 -11.459 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.401 -4.965 -10.498 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -1.827 -3.244 -11.594 1.00 0.00 H new ATOM 0 HD2 PHE A 126 0.626 -5.885 -13.862 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -3.116 -2.703 -13.614 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -0.660 -5.346 -15.886 1.00 0.00 H new ATOM 0 HZ PHE A 126 -2.534 -3.751 -15.765 1.00 0.00 H new ATOM 450 N GLN A 127 0.228 -1.886 -10.526 1.00 0.00 N ATOM 451 CA GLN A 127 -0.260 -0.532 -10.758 1.00 0.00 C ATOM 452 C GLN A 127 0.888 0.405 -11.118 1.00 0.00 C ATOM 453 O GLN A 127 0.794 1.180 -12.070 1.00 0.00 O ATOM 454 CB GLN A 127 -0.990 -0.011 -9.519 1.00 0.00 C ATOM 455 CG GLN A 127 -2.408 -0.540 -9.381 1.00 0.00 C ATOM 456 CD GLN A 127 -3.346 0.025 -10.430 1.00 0.00 C ATOM 457 OE1 GLN A 127 -3.376 -0.442 -11.569 1.00 0.00 O ATOM 458 NE2 GLN A 127 -4.118 1.037 -10.051 1.00 0.00 N ATOM 0 H GLN A 127 -0.039 -2.282 -9.624 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.957 -0.562 -11.595 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -0.421 -0.285 -8.630 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -1.019 1.078 -9.556 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -2.395 -1.627 -9.458 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -2.788 -0.295 -8.389 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -4.061 1.393 -9.097 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.768 1.458 -10.714 1.00 0.00 H new ATOM 467 N MET A 128 1.971 0.330 -10.351 1.00 0.00 N ATOM 468 CA MET A 128 3.137 1.172 -10.591 1.00 0.00 C ATOM 469 C MET A 128 4.211 0.407 -11.358 1.00 0.00 C ATOM 470 O MET A 128 5.219 0.979 -11.770 1.00 0.00 O ATOM 471 CB MET A 128 3.706 1.681 -9.265 1.00 0.00 C ATOM 472 CG MET A 128 2.741 2.561 -8.487 1.00 0.00 C ATOM 473 SD MET A 128 3.538 3.429 -7.122 1.00 0.00 S ATOM 474 CE MET A 128 2.441 4.830 -6.926 1.00 0.00 C ATOM 0 H MET A 128 2.065 -0.305 -9.558 1.00 0.00 H new ATOM 0 HA MET A 128 2.822 2.024 -11.194 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.985 0.827 -8.647 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.619 2.243 -9.463 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.294 3.289 -9.163 1.00 0.00 H new ATOM 0 HG3 MET A 128 1.929 1.947 -8.097 1.00 0.00 H new ATOM 0 HE1 MET A 128 2.995 5.753 -7.099 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.625 4.756 -7.645 1.00 0.00 H new ATOM 0 HE3 MET A 128 2.035 4.835 -5.915 1.00 0.00 H new ATOM 484 N GLY A 129 3.987 -0.890 -11.547 1.00 0.00 N ATOM 485 CA GLY A 129 4.945 -1.711 -12.264 1.00 0.00 C ATOM 486 C GLY A 129 6.022 -2.272 -11.357 1.00 0.00 C ATOM 487 O GLY A 129 6.479 -3.400 -11.546 1.00 0.00 O ATOM 0 H GLY A 129 3.160 -1.386 -11.216 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.421 -2.533 -12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.410 -1.117 -13.051 1.00 0.00 H new ATOM 491 N LEU A 130 6.432 -1.483 -10.370 1.00 0.00 N ATOM 492 CA LEU A 130 7.464 -1.906 -9.430 1.00 0.00 C ATOM 493 C LEU A 130 7.251 -3.355 -9.003 1.00 0.00 C ATOM 494 O LEU A 130 6.182 -3.926 -9.221 1.00 0.00 O ATOM 495 CB LEU A 130 7.467 -0.995 -8.201 1.00 0.00 C ATOM 496 CG LEU A 130 7.740 0.486 -8.464 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.332 1.325 -7.263 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.208 0.707 -8.798 1.00 0.00 C ATOM 0 H LEU A 130 6.065 -0.546 -10.200 1.00 0.00 H new ATOM 0 HA LEU A 130 8.429 -1.833 -9.931 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.500 -1.083 -7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.218 -1.364 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 130 7.143 0.800 -9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 130 7.534 2.376 -7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.268 1.191 -7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 130 7.902 1.010 -6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.384 1.767 -8.982 1.00 0.00 H new ATOM 0 HD22 LEU A 130 9.825 0.377 -7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.468 0.136 -9.689 1.00 0.00 H new ATOM 510 N ARG A 131 8.274 -3.943 -8.392 1.00 0.00 N ATOM 511 CA ARG A 131 8.198 -5.325 -7.933 1.00 0.00 C ATOM 512 C ARG A 131 7.397 -5.424 -6.638 1.00 0.00 C ATOM 513 O ARG A 131 7.289 -4.456 -5.885 1.00 0.00 O ATOM 514 CB ARG A 131 9.603 -5.892 -7.721 1.00 0.00 C ATOM 515 CG ARG A 131 10.437 -5.943 -8.990 1.00 0.00 C ATOM 516 CD ARG A 131 11.572 -6.948 -8.871 1.00 0.00 C ATOM 517 NE ARG A 131 12.715 -6.400 -8.147 1.00 0.00 N ATOM 518 CZ ARG A 131 13.958 -6.848 -8.286 1.00 0.00 C ATOM 519 NH1 ARG A 131 14.216 -7.847 -9.119 1.00 0.00 N ATOM 520 NH2 ARG A 131 14.945 -6.297 -7.592 1.00 0.00 N ATOM 0 H ARG A 131 9.165 -3.484 -8.203 1.00 0.00 H new ATOM 0 HA ARG A 131 7.690 -5.909 -8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 131 10.122 -5.285 -6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 131 9.521 -6.898 -7.309 1.00 0.00 H new ATOM 0 HG2 ARG A 131 9.801 -6.209 -9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 131 10.846 -4.954 -9.198 1.00 0.00 H new ATOM 0 HD2 ARG A 131 11.213 -7.841 -8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 131 11.888 -7.257 -9.867 1.00 0.00 H new ATOM 0 HE ARG A 131 12.550 -5.630 -7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 131 13.459 -8.273 -9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 131 15.171 -8.190 -9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 131 14.750 -5.528 -6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 131 15.899 -6.642 -7.700 1.00 0.00 H new ATOM 534 N THR A 132 6.836 -6.603 -6.385 1.00 0.00 N ATOM 535 CA THR A 132 6.043 -6.829 -5.183 1.00 0.00 C ATOM 536 C THR A 132 6.848 -6.518 -3.927 1.00 0.00 C ATOM 537 O THR A 132 6.374 -5.817 -3.033 1.00 0.00 O ATOM 538 CB THR A 132 5.538 -8.282 -5.108 1.00 0.00 C ATOM 539 OG1 THR A 132 4.804 -8.607 -6.294 1.00 0.00 O ATOM 540 CG2 THR A 132 4.655 -8.486 -3.887 1.00 0.00 C ATOM 0 H THR A 132 6.916 -7.415 -6.996 1.00 0.00 H new ATOM 0 HA THR A 132 5.187 -6.157 -5.239 1.00 0.00 H new ATOM 0 HB THR A 132 6.403 -8.940 -5.025 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.924 -8.961 -6.047 1.00 0.00 H new ATOM 0 HG21 THR A 132 4.311 -9.520 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 132 5.225 -8.266 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.795 -7.819 -3.944 1.00 0.00 H new ATOM 548 N GLN A 133 8.068 -7.043 -3.866 1.00 0.00 N ATOM 549 CA GLN A 133 8.938 -6.820 -2.717 1.00 0.00 C ATOM 550 C GLN A 133 9.374 -5.360 -2.640 1.00 0.00 C ATOM 551 O GLN A 133 9.425 -4.774 -1.558 1.00 0.00 O ATOM 552 CB GLN A 133 10.167 -7.727 -2.799 1.00 0.00 C ATOM 553 CG GLN A 133 10.961 -7.793 -1.504 1.00 0.00 C ATOM 554 CD GLN A 133 10.230 -8.545 -0.409 1.00 0.00 C ATOM 555 OE1 GLN A 133 9.290 -7.872 0.245 1.00 0.00 O flip ATOM 556 NE2 GLN A 133 10.507 -9.717 -0.152 1.00 0.00 N flip ATOM 0 H GLN A 133 8.476 -7.625 -4.598 1.00 0.00 H new ATOM 0 HA GLN A 133 8.376 -7.061 -1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.848 -8.733 -3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.818 -7.371 -3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.919 -8.276 -1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 133 11.177 -6.781 -1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 133 11.237 -10.196 -0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 133 10.007 -10.209 0.589 1.00 0.00 H new ATOM 565 N ASP A 134 9.687 -4.779 -3.793 1.00 0.00 N ATOM 566 CA ASP A 134 10.117 -3.387 -3.855 1.00 0.00 C ATOM 567 C ASP A 134 9.047 -2.461 -3.286 1.00 0.00 C ATOM 568 O ASP A 134 9.341 -1.580 -2.478 1.00 0.00 O ATOM 569 CB ASP A 134 10.434 -2.994 -5.299 1.00 0.00 C ATOM 570 CG ASP A 134 11.880 -3.262 -5.668 1.00 0.00 C ATOM 571 OD1 ASP A 134 12.772 -2.624 -5.072 1.00 0.00 O ATOM 572 OD2 ASP A 134 12.119 -4.110 -6.554 1.00 0.00 O ATOM 0 H ASP A 134 9.651 -5.250 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 134 11.019 -3.284 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 134 9.781 -3.547 -5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 134 10.216 -1.935 -5.441 1.00 0.00 H new ATOM 577 N ALA A 135 7.806 -2.667 -3.713 1.00 0.00 N ATOM 578 CA ALA A 135 6.692 -1.852 -3.245 1.00 0.00 C ATOM 579 C ALA A 135 6.511 -1.982 -1.736 1.00 0.00 C ATOM 580 O ALA A 135 6.351 -0.985 -1.032 1.00 0.00 O ATOM 581 CB ALA A 135 5.411 -2.242 -3.967 1.00 0.00 C ATOM 0 H ALA A 135 7.547 -3.392 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 135 6.919 -0.810 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.588 -1.625 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.537 -2.090 -5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 135 5.189 -3.291 -3.773 1.00 0.00 H new ATOM 587 N ILE A 136 6.538 -3.218 -1.247 1.00 0.00 N ATOM 588 CA ILE A 136 6.377 -3.478 0.178 1.00 0.00 C ATOM 589 C ILE A 136 7.477 -2.800 0.988 1.00 0.00 C ATOM 590 O ILE A 136 7.220 -2.225 2.044 1.00 0.00 O ATOM 591 CB ILE A 136 6.389 -4.988 0.480 1.00 0.00 C ATOM 592 CG1 ILE A 136 5.263 -5.691 -0.280 1.00 0.00 C ATOM 593 CG2 ILE A 136 6.259 -5.231 1.976 1.00 0.00 C ATOM 594 CD1 ILE A 136 5.476 -7.180 -0.435 1.00 0.00 C ATOM 0 H ILE A 136 6.670 -4.054 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 136 5.410 -3.066 0.467 1.00 0.00 H new ATOM 0 HB ILE A 136 7.340 -5.402 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 136 4.321 -5.519 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.167 -5.241 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.269 -6.303 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 136 7.093 -4.759 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.321 -4.805 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.639 -7.612 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 136 6.401 -7.360 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.542 -7.643 0.550 1.00 0.00 H new ATOM 606 N ASN A 137 8.705 -2.872 0.484 1.00 0.00 N ATOM 607 CA ASN A 137 9.846 -2.264 1.160 1.00 0.00 C ATOM 608 C ASN A 137 9.605 -0.777 1.402 1.00 0.00 C ATOM 609 O ASN A 137 9.948 -0.246 2.458 1.00 0.00 O ATOM 610 CB ASN A 137 11.118 -2.459 0.333 1.00 0.00 C ATOM 611 CG ASN A 137 11.479 -3.922 0.162 1.00 0.00 C ATOM 612 OD1 ASN A 137 12.006 -4.269 -1.006 1.00 0.00 O flip ATOM 613 ND2 ASN A 137 11.286 -4.730 1.070 1.00 0.00 N flip ATOM 0 H ASN A 137 8.935 -3.345 -0.390 1.00 0.00 H new ATOM 0 HA ASN A 137 9.970 -2.755 2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.983 -2.004 -0.648 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.945 -1.938 0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 137 10.878 -4.419 1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 137 11.534 -5.711 0.941 1.00 0.00 H new ATOM 620 N ARG A 138 9.014 -0.111 0.416 1.00 0.00 N ATOM 621 CA ARG A 138 8.728 1.315 0.521 1.00 0.00 C ATOM 622 C ARG A 138 7.687 1.583 1.604 1.00 0.00 C ATOM 623 O ARG A 138 7.860 2.471 2.439 1.00 0.00 O ATOM 624 CB ARG A 138 8.234 1.858 -0.821 1.00 0.00 C ATOM 625 CG ARG A 138 9.343 2.062 -1.841 1.00 0.00 C ATOM 626 CD ARG A 138 10.159 3.308 -1.534 1.00 0.00 C ATOM 627 NE ARG A 138 11.253 3.032 -0.607 1.00 0.00 N ATOM 628 CZ ARG A 138 11.885 3.972 0.086 1.00 0.00 C ATOM 629 NH1 ARG A 138 11.532 5.244 -0.041 1.00 0.00 N ATOM 630 NH2 ARG A 138 12.871 3.641 0.910 1.00 0.00 N ATOM 0 H ARG A 138 8.724 -0.536 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 138 9.651 1.826 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 138 7.496 1.170 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 138 7.726 2.808 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.997 1.190 -1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 138 8.911 2.145 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.563 3.714 -2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.508 4.072 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 138 11.548 2.063 -0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 138 10.773 5.502 -0.672 1.00 0.00 H new ATOM 0 HH12 ARG A 138 12.019 5.964 0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 138 13.144 2.664 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 138 13.356 4.364 1.442 1.00 0.00 H new ATOM 644 N ILE A 139 6.606 0.809 1.582 1.00 0.00 N ATOM 645 CA ILE A 139 5.538 0.962 2.562 1.00 0.00 C ATOM 646 C ILE A 139 6.042 0.678 3.973 1.00 0.00 C ATOM 647 O ILE A 139 5.776 1.440 4.902 1.00 0.00 O ATOM 648 CB ILE A 139 4.353 0.028 2.254 1.00 0.00 C ATOM 649 CG1 ILE A 139 3.799 0.315 0.857 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.265 0.189 3.305 1.00 0.00 C ATOM 651 CD1 ILE A 139 3.005 -0.833 0.275 1.00 0.00 C ATOM 0 H ILE A 139 6.447 0.070 0.897 1.00 0.00 H new ATOM 0 HA ILE A 139 5.200 1.996 2.501 1.00 0.00 H new ATOM 0 HB ILE A 139 4.706 -1.003 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.164 1.200 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.627 0.550 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.434 -0.478 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.668 -0.060 4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.912 1.220 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.643 -0.559 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 139 3.642 -1.714 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 139 2.157 -1.054 0.923 1.00 0.00 H new ATOM 663 N GLN A 140 6.771 -0.422 4.125 1.00 0.00 N ATOM 664 CA GLN A 140 7.313 -0.806 5.423 1.00 0.00 C ATOM 665 C GLN A 140 8.186 0.304 5.999 1.00 0.00 C ATOM 666 O GLN A 140 8.143 0.582 7.197 1.00 0.00 O ATOM 667 CB GLN A 140 8.126 -2.096 5.299 1.00 0.00 C ATOM 668 CG GLN A 140 7.269 -3.343 5.144 1.00 0.00 C ATOM 669 CD GLN A 140 6.219 -3.467 6.231 1.00 0.00 C ATOM 670 OE1 GLN A 140 6.503 -3.258 7.411 1.00 0.00 O ATOM 671 NE2 GLN A 140 4.998 -3.809 5.838 1.00 0.00 N ATOM 0 H GLN A 140 7.000 -1.063 3.366 1.00 0.00 H new ATOM 0 HA GLN A 140 6.477 -0.975 6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 140 8.793 -2.014 4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 140 8.755 -2.205 6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 140 6.779 -3.324 4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 140 7.910 -4.224 5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.808 -3.973 4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.250 -3.908 6.525 1.00 0.00 H new ATOM 680 N ASP A 141 8.976 0.935 5.137 1.00 0.00 N ATOM 681 CA ASP A 141 9.858 2.017 5.560 1.00 0.00 C ATOM 682 C ASP A 141 9.052 3.223 6.032 1.00 0.00 C ATOM 683 O ASP A 141 9.352 3.817 7.069 1.00 0.00 O ATOM 684 CB ASP A 141 10.786 2.424 4.415 1.00 0.00 C ATOM 685 CG ASP A 141 11.915 3.324 4.876 1.00 0.00 C ATOM 686 OD1 ASP A 141 11.628 4.449 5.338 1.00 0.00 O ATOM 687 OD2 ASP A 141 13.087 2.904 4.777 1.00 0.00 O ATOM 0 H ASP A 141 9.024 0.716 4.142 1.00 0.00 H new ATOM 0 HA ASP A 141 10.460 1.657 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.204 1.529 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 141 10.207 2.937 3.647 1.00 0.00 H new ATOM 692 N LEU A 142 8.029 3.581 5.264 1.00 0.00 N ATOM 693 CA LEU A 142 7.179 4.717 5.603 1.00 0.00 C ATOM 694 C LEU A 142 6.401 4.452 6.887 1.00 0.00 C ATOM 695 O LEU A 142 6.319 5.312 7.765 1.00 0.00 O ATOM 696 CB LEU A 142 6.210 5.014 4.457 1.00 0.00 C ATOM 697 CG LEU A 142 6.836 5.555 3.171 1.00 0.00 C ATOM 698 CD1 LEU A 142 5.777 5.723 2.092 1.00 0.00 C ATOM 699 CD2 LEU A 142 7.543 6.876 3.437 1.00 0.00 C ATOM 0 H LEU A 142 7.768 3.101 4.403 1.00 0.00 H new ATOM 0 HA LEU A 142 7.820 5.584 5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.671 4.098 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 142 5.472 5.735 4.809 1.00 0.00 H new ATOM 0 HG LEU A 142 7.574 4.835 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.241 6.109 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.315 4.758 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.015 6.423 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 142 7.983 7.246 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.824 7.604 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 142 8.329 6.725 4.177 1.00 0.00 H new ATOM 711 N LEU A 143 5.832 3.256 6.992 1.00 0.00 N ATOM 712 CA LEU A 143 5.062 2.875 8.170 1.00 0.00 C ATOM 713 C LEU A 143 5.952 2.817 9.408 1.00 0.00 C ATOM 714 O LEU A 143 5.529 3.172 10.508 1.00 0.00 O ATOM 715 CB LEU A 143 4.389 1.520 7.948 1.00 0.00 C ATOM 716 CG LEU A 143 3.102 1.537 7.123 1.00 0.00 C ATOM 717 CD1 LEU A 143 2.759 0.136 6.639 1.00 0.00 C ATOM 718 CD2 LEU A 143 1.954 2.118 7.936 1.00 0.00 C ATOM 0 H LEU A 143 5.890 2.533 6.275 1.00 0.00 H new ATOM 0 HA LEU A 143 4.295 3.632 8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.103 0.858 7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.167 1.083 8.922 1.00 0.00 H new ATOM 0 HG LEU A 143 3.261 2.172 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 143 1.840 0.168 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 143 3.571 -0.244 6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 143 2.620 -0.521 7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 143 1.046 2.122 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 143 1.795 1.510 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 143 2.198 3.138 8.232 1.00 0.00 H new ATOM 730 N THR A 144 7.190 2.369 9.219 1.00 0.00 N ATOM 731 CA THR A 144 8.140 2.265 10.319 1.00 0.00 C ATOM 732 C THR A 144 8.428 3.633 10.928 1.00 0.00 C ATOM 733 O THR A 144 8.434 3.790 12.148 1.00 0.00 O ATOM 734 CB THR A 144 9.467 1.633 9.857 1.00 0.00 C ATOM 735 OG1 THR A 144 9.240 0.291 9.411 1.00 0.00 O ATOM 736 CG2 THR A 144 10.488 1.632 10.985 1.00 0.00 C ATOM 0 H THR A 144 7.557 2.073 8.315 1.00 0.00 H new ATOM 0 HA THR A 144 7.682 1.623 11.072 1.00 0.00 H new ATOM 0 HB THR A 144 9.861 2.228 9.033 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.441 0.265 8.844 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.417 1.181 10.635 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.680 2.657 11.303 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.100 1.058 11.826 1.00 0.00 H new ATOM 744 N GLU A 145 8.666 4.620 10.069 1.00 0.00 N ATOM 745 CA GLU A 145 8.954 5.975 10.525 1.00 0.00 C ATOM 746 C GLU A 145 7.704 6.632 11.104 1.00 0.00 C ATOM 747 O GLU A 145 7.791 7.610 11.845 1.00 0.00 O ATOM 748 CB GLU A 145 9.500 6.819 9.371 1.00 0.00 C ATOM 749 CG GLU A 145 10.768 6.256 8.752 1.00 0.00 C ATOM 750 CD GLU A 145 11.664 7.335 8.175 1.00 0.00 C ATOM 751 OE1 GLU A 145 11.132 8.272 7.543 1.00 0.00 O ATOM 752 OE2 GLU A 145 12.896 7.243 8.356 1.00 0.00 O ATOM 0 H GLU A 145 8.665 4.507 9.055 1.00 0.00 H new ATOM 0 HA GLU A 145 9.708 5.915 11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.735 6.902 8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 145 9.699 7.828 9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 145 11.319 5.697 9.508 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.502 5.551 7.965 1.00 0.00 H new ATOM 759 N GLY A 146 6.542 6.086 10.759 1.00 0.00 N ATOM 760 CA GLY A 146 5.291 6.632 11.252 1.00 0.00 C ATOM 761 C GLY A 146 4.527 7.387 10.183 1.00 0.00 C ATOM 762 O GLY A 146 3.337 7.665 10.338 1.00 0.00 O ATOM 0 H GLY A 146 6.445 5.276 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 146 4.670 5.822 11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 146 5.494 7.300 12.089 1.00 0.00 H new ATOM 766 N THR A 147 5.211 7.722 9.094 1.00 0.00 N ATOM 767 CA THR A 147 4.590 8.453 7.996 1.00 0.00 C ATOM 768 C THR A 147 3.198 7.911 7.693 1.00 0.00 C ATOM 769 O THR A 147 2.322 8.645 7.233 1.00 0.00 O ATOM 770 CB THR A 147 5.446 8.380 6.717 1.00 0.00 C ATOM 771 OG1 THR A 147 6.734 8.960 6.956 1.00 0.00 O ATOM 772 CG2 THR A 147 4.764 9.104 5.567 1.00 0.00 C ATOM 0 H THR A 147 6.196 7.499 8.948 1.00 0.00 H new ATOM 0 HA THR A 147 4.512 9.493 8.313 1.00 0.00 H new ATOM 0 HB THR A 147 5.565 7.331 6.445 1.00 0.00 H new ATOM 0 HG1 THR A 147 7.273 8.908 6.139 1.00 0.00 H new ATOM 0 HG21 THR A 147 5.387 9.039 4.675 1.00 0.00 H new ATOM 0 HG22 THR A 147 3.797 8.642 5.368 1.00 0.00 H new ATOM 0 HG23 THR A 147 4.618 10.151 5.832 1.00 0.00 H new ATOM 780 N LEU A 148 2.999 6.624 7.954 1.00 0.00 N ATOM 781 CA LEU A 148 1.711 5.984 7.710 1.00 0.00 C ATOM 782 C LEU A 148 1.394 4.966 8.801 1.00 0.00 C ATOM 783 O LEU A 148 2.291 4.465 9.479 1.00 0.00 O ATOM 784 CB LEU A 148 1.711 5.299 6.342 1.00 0.00 C ATOM 785 CG LEU A 148 1.814 6.224 5.128 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.195 5.434 3.886 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.503 6.965 4.910 1.00 0.00 C ATOM 0 H LEU A 148 3.713 6.003 8.335 1.00 0.00 H new ATOM 0 HA LEU A 148 0.941 6.755 7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 148 2.544 4.596 6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 148 0.796 4.714 6.251 1.00 0.00 H new ATOM 0 HG LEU A 148 2.596 6.959 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.264 6.109 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.159 4.950 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 148 1.436 4.676 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.594 7.618 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -0.298 6.245 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.272 7.563 5.792 1.00 0.00 H new ATOM 799 N THR A 149 0.110 4.662 8.964 1.00 0.00 N ATOM 800 CA THR A 149 -0.327 3.703 9.971 1.00 0.00 C ATOM 801 C THR A 149 -1.333 2.716 9.391 1.00 0.00 C ATOM 802 O THR A 149 -2.375 3.111 8.869 1.00 0.00 O ATOM 803 CB THR A 149 -0.960 4.412 11.183 1.00 0.00 C ATOM 804 OG1 THR A 149 -1.994 5.301 10.746 1.00 0.00 O ATOM 805 CG2 THR A 149 0.088 5.190 11.964 1.00 0.00 C ATOM 0 H THR A 149 -0.646 5.066 8.411 1.00 0.00 H new ATOM 0 HA THR A 149 0.561 3.161 10.298 1.00 0.00 H new ATOM 0 HB THR A 149 -1.387 3.652 11.837 1.00 0.00 H new ATOM 0 HG1 THR A 149 -2.429 4.930 9.950 1.00 0.00 H new ATOM 0 HG21 THR A 149 -0.383 5.682 12.815 1.00 0.00 H new ATOM 0 HG22 THR A 149 0.858 4.506 12.321 1.00 0.00 H new ATOM 0 HG23 THR A 149 0.541 5.941 11.317 1.00 0.00 H new ATOM 813 N GLY A 150 -1.014 1.429 9.486 1.00 0.00 N ATOM 814 CA GLY A 150 -1.902 0.405 8.966 1.00 0.00 C ATOM 815 C GLY A 150 -1.572 -0.975 9.501 1.00 0.00 C ATOM 816 O GLY A 150 -0.558 -1.161 10.174 1.00 0.00 O ATOM 0 H GLY A 150 -0.157 1.077 9.913 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.931 0.655 9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.841 0.394 7.878 1.00 0.00 H new ATOM 820 N VAL A 151 -2.431 -1.944 9.204 1.00 0.00 N ATOM 821 CA VAL A 151 -2.226 -3.314 9.660 1.00 0.00 C ATOM 822 C VAL A 151 -2.334 -4.301 8.503 1.00 0.00 C ATOM 823 O VAL A 151 -3.036 -4.050 7.523 1.00 0.00 O ATOM 824 CB VAL A 151 -3.245 -3.702 10.748 1.00 0.00 C ATOM 825 CG1 VAL A 151 -3.024 -2.876 12.006 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.666 -3.530 10.231 1.00 0.00 C ATOM 0 H VAL A 151 -3.276 -1.806 8.649 1.00 0.00 H new ATOM 0 HA VAL A 151 -1.221 -3.360 10.080 1.00 0.00 H new ATOM 0 HB VAL A 151 -3.098 -4.752 11.001 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.753 -3.164 12.763 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -2.018 -3.053 12.385 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -3.143 -1.818 11.772 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.374 -3.808 11.012 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -4.827 -2.489 9.949 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.816 -4.169 9.361 1.00 0.00 H new ATOM 836 N ILE A 152 -1.633 -5.424 8.623 1.00 0.00 N ATOM 837 CA ILE A 152 -1.652 -6.449 7.588 1.00 0.00 C ATOM 838 C ILE A 152 -2.383 -7.699 8.065 1.00 0.00 C ATOM 839 O ILE A 152 -2.133 -8.196 9.163 1.00 0.00 O ATOM 840 CB ILE A 152 -0.226 -6.837 7.154 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.496 -5.626 6.559 1.00 0.00 C ATOM 842 CG2 ILE A 152 -0.270 -7.979 6.150 1.00 0.00 C ATOM 843 CD1 ILE A 152 1.999 -5.789 6.497 1.00 0.00 C ATOM 0 H ILE A 152 -1.045 -5.646 9.427 1.00 0.00 H new ATOM 0 HA ILE A 152 -2.181 -6.025 6.734 1.00 0.00 H new ATOM 0 HB ILE A 152 0.327 -7.172 8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 152 0.116 -5.445 5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.259 -4.744 7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 152 0.745 -8.242 5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -0.751 -8.845 6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.836 -7.670 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.445 -4.893 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.390 -5.940 7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.246 -6.652 5.879 1.00 0.00 H new ATOM 855 N ASP A 153 -3.287 -8.203 7.232 1.00 0.00 N ATOM 856 CA ASP A 153 -4.053 -9.398 7.567 1.00 0.00 C ATOM 857 C ASP A 153 -3.430 -10.639 6.936 1.00 0.00 C ATOM 858 O ASP A 153 -2.479 -10.541 6.160 1.00 0.00 O ATOM 859 CB ASP A 153 -5.503 -9.247 7.103 1.00 0.00 C ATOM 860 CG ASP A 153 -6.147 -7.976 7.619 1.00 0.00 C ATOM 861 OD1 ASP A 153 -5.550 -6.893 7.441 1.00 0.00 O ATOM 862 OD2 ASP A 153 -7.249 -8.063 8.199 1.00 0.00 O ATOM 0 H ASP A 153 -3.507 -7.803 6.320 1.00 0.00 H new ATOM 0 HA ASP A 153 -4.037 -9.518 8.650 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.535 -9.250 6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.081 -10.107 7.441 1.00 0.00 H new ATOM 867 N ASP A 154 -3.972 -11.804 7.273 1.00 0.00 N ATOM 868 CA ASP A 154 -3.469 -13.064 6.739 1.00 0.00 C ATOM 869 C ASP A 154 -3.607 -13.105 5.220 1.00 0.00 C ATOM 870 O ASP A 154 -3.082 -14.003 4.563 1.00 0.00 O ATOM 871 CB ASP A 154 -4.218 -14.242 7.364 1.00 0.00 C ATOM 872 CG ASP A 154 -4.250 -14.171 8.878 1.00 0.00 C ATOM 873 OD1 ASP A 154 -5.189 -13.554 9.422 1.00 0.00 O ATOM 874 OD2 ASP A 154 -3.335 -14.731 9.518 1.00 0.00 O ATOM 0 H ASP A 154 -4.760 -11.902 7.914 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.411 -13.141 6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.239 -14.263 6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -3.744 -15.174 7.057 1.00 0.00 H new ATOM 879 N ARG A 155 -4.319 -12.126 4.670 1.00 0.00 N ATOM 880 CA ARG A 155 -4.529 -12.052 3.229 1.00 0.00 C ATOM 881 C ARG A 155 -3.542 -11.083 2.586 1.00 0.00 C ATOM 882 O ARG A 155 -3.760 -10.605 1.473 1.00 0.00 O ATOM 883 CB ARG A 155 -5.962 -11.615 2.923 1.00 0.00 C ATOM 884 CG ARG A 155 -6.507 -12.181 1.622 1.00 0.00 C ATOM 885 CD ARG A 155 -7.221 -13.505 1.847 1.00 0.00 C ATOM 886 NE ARG A 155 -6.312 -14.643 1.728 1.00 0.00 N ATOM 887 CZ ARG A 155 -5.592 -15.117 2.739 1.00 0.00 C ATOM 888 NH1 ARG A 155 -5.675 -14.555 3.937 1.00 0.00 N ATOM 889 NH2 ARG A 155 -4.789 -16.156 2.552 1.00 0.00 N ATOM 0 H ARG A 155 -4.760 -11.374 5.200 1.00 0.00 H new ATOM 0 HA ARG A 155 -4.362 -13.045 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -6.610 -11.924 3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -5.999 -10.527 2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -7.197 -11.466 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -5.690 -12.323 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -7.678 -13.507 2.837 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -8.029 -13.609 1.123 1.00 0.00 H new ATOM 0 HE ARG A 155 -6.226 -15.098 0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -6.293 -13.757 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -5.121 -14.921 4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -4.724 -16.591 1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -4.236 -16.520 3.328 1.00 0.00 H new ATOM 903 N GLY A 156 -2.454 -10.796 3.294 1.00 0.00 N ATOM 904 CA GLY A 156 -1.450 -9.885 2.777 1.00 0.00 C ATOM 905 C GLY A 156 -2.047 -8.579 2.291 1.00 0.00 C ATOM 906 O GLY A 156 -1.501 -7.932 1.398 1.00 0.00 O ATOM 0 H GLY A 156 -2.250 -11.179 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -0.716 -9.678 3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -0.917 -10.365 1.956 1.00 0.00 H new ATOM 910 N LYS A 157 -3.174 -8.191 2.880 1.00 0.00 N ATOM 911 CA LYS A 157 -3.847 -6.954 2.502 1.00 0.00 C ATOM 912 C LYS A 157 -3.402 -5.798 3.393 1.00 0.00 C ATOM 913 O LYS A 157 -3.161 -5.979 4.587 1.00 0.00 O ATOM 914 CB LYS A 157 -5.365 -7.127 2.594 1.00 0.00 C ATOM 915 CG LYS A 157 -5.963 -7.883 1.420 1.00 0.00 C ATOM 916 CD LYS A 157 -7.389 -7.439 1.139 1.00 0.00 C ATOM 917 CE LYS A 157 -8.395 -8.265 1.926 1.00 0.00 C ATOM 918 NZ LYS A 157 -8.365 -7.938 3.379 1.00 0.00 N ATOM 0 H LYS A 157 -3.640 -8.715 3.621 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.575 -6.722 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -5.607 -7.655 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.831 -6.144 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.350 -7.724 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.949 -8.953 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -7.501 -6.386 1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -7.596 -7.530 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -9.397 -8.087 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -8.182 -9.325 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -9.268 -8.214 3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -7.587 -8.456 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -8.220 -6.916 3.502 1.00 0.00 H new ATOM 932 N PHE A 158 -3.297 -4.611 2.806 1.00 0.00 N ATOM 933 CA PHE A 158 -2.882 -3.426 3.547 1.00 0.00 C ATOM 934 C PHE A 158 -4.069 -2.502 3.806 1.00 0.00 C ATOM 935 O PHE A 158 -4.741 -2.062 2.872 1.00 0.00 O ATOM 936 CB PHE A 158 -1.794 -2.673 2.778 1.00 0.00 C ATOM 937 CG PHE A 158 -1.275 -1.464 3.503 1.00 0.00 C ATOM 938 CD1 PHE A 158 -0.991 -1.521 4.858 1.00 0.00 C ATOM 939 CD2 PHE A 158 -1.071 -0.271 2.829 1.00 0.00 C ATOM 940 CE1 PHE A 158 -0.514 -0.410 5.527 1.00 0.00 C ATOM 941 CE2 PHE A 158 -0.594 0.844 3.493 1.00 0.00 C ATOM 942 CZ PHE A 158 -0.314 0.774 4.844 1.00 0.00 C ATOM 0 H PHE A 158 -3.494 -4.444 1.819 1.00 0.00 H new ATOM 0 HA PHE A 158 -2.481 -3.751 4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -0.964 -3.352 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -2.191 -2.364 1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -1.144 -2.444 5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -1.287 -0.211 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.298 -0.467 6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.440 1.768 2.956 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.060 1.643 5.365 1.00 0.00 H new ATOM 952 N ILE A 159 -4.320 -2.214 5.078 1.00 0.00 N ATOM 953 CA ILE A 159 -5.424 -1.343 5.460 1.00 0.00 C ATOM 954 C ILE A 159 -4.913 -0.038 6.061 1.00 0.00 C ATOM 955 O ILE A 159 -4.232 -0.040 7.087 1.00 0.00 O ATOM 956 CB ILE A 159 -6.359 -2.031 6.472 1.00 0.00 C ATOM 957 CG1 ILE A 159 -6.909 -3.334 5.889 1.00 0.00 C ATOM 958 CG2 ILE A 159 -7.496 -1.098 6.862 1.00 0.00 C ATOM 959 CD1 ILE A 159 -7.457 -4.280 6.934 1.00 0.00 C ATOM 0 H ILE A 159 -3.774 -2.571 5.862 1.00 0.00 H new ATOM 0 HA ILE A 159 -5.984 -1.125 4.550 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.786 -2.270 7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.698 -3.098 5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.117 -3.837 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.148 -1.599 7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -7.087 -0.195 7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -8.069 -0.831 5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -7.830 -5.182 6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.666 -4.546 7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -8.271 -3.795 7.473 1.00 0.00 H new ATOM 971 N TYR A 160 -5.249 1.074 5.418 1.00 0.00 N ATOM 972 CA TYR A 160 -4.823 2.387 5.888 1.00 0.00 C ATOM 973 C TYR A 160 -5.997 3.159 6.484 1.00 0.00 C ATOM 974 O TYR A 160 -7.020 3.357 5.828 1.00 0.00 O ATOM 975 CB TYR A 160 -4.202 3.186 4.742 1.00 0.00 C ATOM 976 CG TYR A 160 -3.615 4.511 5.176 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.368 4.574 5.786 1.00 0.00 C ATOM 978 CD2 TYR A 160 -4.306 5.699 4.975 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.828 5.781 6.184 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.774 6.911 5.369 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.535 6.947 5.973 1.00 0.00 C ATOM 982 OH TYR A 160 -2.000 8.152 6.368 1.00 0.00 O ATOM 0 H TYR A 160 -5.815 1.093 4.570 1.00 0.00 H new ATOM 0 HA TYR A 160 -4.074 2.241 6.667 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -3.420 2.587 4.275 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -4.962 3.366 3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -1.812 3.663 5.952 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -5.277 5.674 4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -0.858 5.812 6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -4.325 7.825 5.205 1.00 0.00 H new ATOM 0 HH TYR A 160 -2.623 8.875 6.146 1.00 0.00 H new ATOM 992 N ILE A 161 -5.840 3.593 7.730 1.00 0.00 N ATOM 993 CA ILE A 161 -6.885 4.345 8.414 1.00 0.00 C ATOM 994 C ILE A 161 -6.623 5.845 8.336 1.00 0.00 C ATOM 995 O ILE A 161 -5.851 6.393 9.123 1.00 0.00 O ATOM 996 CB ILE A 161 -7.001 3.930 9.892 1.00 0.00 C ATOM 997 CG1 ILE A 161 -7.253 2.425 10.005 1.00 0.00 C ATOM 998 CG2 ILE A 161 -8.113 4.712 10.576 1.00 0.00 C ATOM 999 CD1 ILE A 161 -6.950 1.863 11.376 1.00 0.00 C ATOM 0 H ILE A 161 -4.999 3.437 8.286 1.00 0.00 H new ATOM 0 HA ILE A 161 -7.822 4.116 7.907 1.00 0.00 H new ATOM 0 HB ILE A 161 -6.060 4.160 10.393 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -8.295 2.220 9.759 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -6.643 1.906 9.266 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -8.183 4.407 11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -7.894 5.778 10.523 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -9.060 4.511 10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.151 0.792 11.383 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.901 2.037 11.617 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -7.579 2.355 12.118 1.00 0.00 H new