USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 233 hydrogens (6 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 NoAdj-H: A 181 HSL H2 : A 181 HSL N : A 180 ARG C :(H bumps) USER MOD NoAdj-H: A 181 HSL H : A 181 HSL N : A 180 ARG C :(H bumps) USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 158 SER OG : rot 2:sc= 1.13 USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 155 -7.302 -1.268 -6.024 1.00 0.00 N ATOM 2 CA PHE A 155 -8.486 -2.158 -5.926 1.00 0.00 C ATOM 3 C PHE A 155 -8.143 -3.462 -5.223 1.00 0.00 C ATOM 4 O PHE A 155 -7.171 -4.127 -5.571 1.00 0.00 O ATOM 5 CB PHE A 155 -9.008 -2.443 -7.336 1.00 0.00 C ATOM 6 CG PHE A 155 -10.060 -1.475 -7.796 1.00 0.00 C ATOM 7 CD1 PHE A 155 -9.709 -0.313 -8.463 1.00 0.00 C ATOM 8 CD2 PHE A 155 -11.403 -1.729 -7.561 1.00 0.00 C ATOM 9 CE1 PHE A 155 -10.677 0.579 -8.888 1.00 0.00 C ATOM 10 CE2 PHE A 155 -12.375 -0.841 -7.983 1.00 0.00 C ATOM 11 CZ PHE A 155 -12.010 0.314 -8.647 1.00 0.00 C ATOM 0 HA PHE A 155 -9.254 -1.658 -5.335 1.00 0.00 H new ATOM 0 HB2 PHE A 155 -8.172 -2.418 -8.035 1.00 0.00 H new ATOM 0 HB3 PHE A 155 -9.418 -3.453 -7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 155 -8.667 -0.101 -8.653 1.00 0.00 H new ATOM 0 HD2 PHE A 155 -11.693 -2.631 -7.042 1.00 0.00 H new ATOM 0 HE1 PHE A 155 -10.390 1.481 -9.408 1.00 0.00 H new ATOM 0 HE2 PHE A 155 -13.418 -1.050 -7.794 1.00 0.00 H new ATOM 0 HZ PHE A 155 -12.767 1.009 -8.977 1.00 0.00 H new ATOM 23 N LEU A 156 -8.972 -3.818 -4.244 1.00 0.00 N ATOM 24 CA LEU A 156 -8.816 -5.044 -3.464 1.00 0.00 C ATOM 25 C LEU A 156 -7.373 -5.284 -3.012 1.00 0.00 C ATOM 26 O LEU A 156 -6.417 -5.006 -3.733 1.00 0.00 O ATOM 27 CB LEU A 156 -9.340 -6.244 -4.258 1.00 0.00 C ATOM 28 CG LEU A 156 -8.669 -6.499 -5.609 1.00 0.00 C ATOM 29 CD1 LEU A 156 -7.247 -7.002 -5.418 1.00 0.00 C ATOM 30 CD2 LEU A 156 -9.485 -7.494 -6.419 1.00 0.00 C ATOM 0 H LEU A 156 -9.779 -3.258 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 156 -9.408 -4.922 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 156 -9.227 -7.138 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -10.408 -6.105 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 156 -8.623 -5.558 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 156 -6.789 -7.177 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 156 -6.668 -6.257 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 156 -7.263 -7.934 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 156 -8.998 -7.668 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 156 -9.558 -8.435 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 156 -10.485 -7.094 -6.587 1.00 0.00 H new ATOM 42 N GLN A 157 -7.235 -5.808 -1.799 1.00 0.00 N ATOM 43 CA GLN A 157 -5.927 -6.100 -1.222 1.00 0.00 C ATOM 44 C GLN A 157 -6.086 -6.887 0.070 1.00 0.00 C ATOM 45 O GLN A 157 -5.945 -8.109 0.092 1.00 0.00 O ATOM 46 CB GLN A 157 -5.150 -4.800 -0.974 1.00 0.00 C ATOM 47 CG GLN A 157 -3.800 -5.009 -0.304 1.00 0.00 C ATOM 48 CD GLN A 157 -2.681 -5.237 -1.304 1.00 0.00 C ATOM 49 OE1 GLN A 157 -2.697 -6.207 -2.060 1.00 0.00 O ATOM 50 NE2 GLN A 157 -1.702 -4.338 -1.313 1.00 0.00 N ATOM 0 H GLN A 157 -8.020 -6.041 -1.191 1.00 0.00 H new ATOM 0 HA GLN A 157 -5.360 -6.707 -1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -4.998 -4.292 -1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.755 -4.139 -0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -3.564 -4.138 0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -3.861 -5.864 0.369 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -1.729 -3.548 -0.668 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -0.924 -4.438 -1.965 1.00 0.00 H new ATOM 59 N SER A 158 -6.391 -6.171 1.134 1.00 0.00 N ATOM 60 CA SER A 158 -6.592 -6.765 2.444 1.00 0.00 C ATOM 61 C SER A 158 -7.162 -5.714 3.373 1.00 0.00 C ATOM 62 O SER A 158 -8.069 -5.976 4.163 1.00 0.00 O ATOM 63 CB SER A 158 -5.275 -7.305 3.002 1.00 0.00 C ATOM 64 OG SER A 158 -4.853 -8.458 2.292 1.00 0.00 O ATOM 0 H SER A 158 -6.507 -5.158 1.116 1.00 0.00 H new ATOM 0 HA SER A 158 -7.287 -7.601 2.359 1.00 0.00 H new ATOM 0 HB2 SER A 158 -4.507 -6.534 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 158 -5.397 -7.549 4.057 1.00 0.00 H new ATOM 0 HG SER A 158 -5.490 -8.650 1.572 1.00 0.00 H new ATOM 70 N ASP A 159 -6.624 -4.511 3.242 1.00 0.00 N ATOM 71 CA ASP A 159 -7.072 -3.379 4.039 1.00 0.00 C ATOM 72 C ASP A 159 -8.290 -2.734 3.392 1.00 0.00 C ATOM 73 O ASP A 159 -9.323 -2.542 4.031 1.00 0.00 O ATOM 74 CB ASP A 159 -5.948 -2.352 4.185 1.00 0.00 C ATOM 75 CG ASP A 159 -4.736 -2.916 4.900 1.00 0.00 C ATOM 76 OD1 ASP A 159 -4.921 -3.746 5.816 1.00 0.00 O ATOM 77 OD2 ASP A 159 -3.603 -2.528 4.545 1.00 0.00 O ATOM 0 H ASP A 159 -5.873 -4.293 2.588 1.00 0.00 H new ATOM 0 HA ASP A 159 -7.347 -3.738 5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -5.652 -1.999 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -6.320 -1.487 4.734 1.00 0.00 H new ATOM 82 N VAL A 160 -8.150 -2.408 2.109 1.00 0.00 N ATOM 83 CA VAL A 160 -9.220 -1.784 1.333 1.00 0.00 C ATOM 84 C VAL A 160 -9.302 -0.282 1.613 1.00 0.00 C ATOM 85 O VAL A 160 -9.277 0.526 0.686 1.00 0.00 O ATOM 86 CB VAL A 160 -10.592 -2.476 1.570 1.00 0.00 C ATOM 87 CG1 VAL A 160 -11.529 -1.632 2.429 1.00 0.00 C ATOM 88 CG2 VAL A 160 -11.248 -2.811 0.240 1.00 0.00 C ATOM 0 H VAL A 160 -7.294 -2.568 1.579 1.00 0.00 H new ATOM 0 HA VAL A 160 -8.972 -1.917 0.280 1.00 0.00 H new ATOM 0 HB VAL A 160 -10.399 -3.397 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -12.473 -2.160 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -11.070 -1.454 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -11.715 -0.678 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -12.208 -3.295 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -11.405 -1.895 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -10.602 -3.484 -0.325 1.00 0.00 H new ATOM 98 N PHE A 161 -9.385 0.087 2.891 1.00 0.00 N ATOM 99 CA PHE A 161 -9.455 1.493 3.277 1.00 0.00 C ATOM 100 C PHE A 161 -8.119 2.182 3.009 1.00 0.00 C ATOM 101 O PHE A 161 -8.066 3.384 2.741 1.00 0.00 O ATOM 102 CB PHE A 161 -9.824 1.623 4.756 1.00 0.00 C ATOM 103 CG PHE A 161 -10.041 3.042 5.198 1.00 0.00 C ATOM 104 CD1 PHE A 161 -11.168 3.741 4.797 1.00 0.00 C ATOM 105 CD2 PHE A 161 -9.118 3.676 6.015 1.00 0.00 C ATOM 106 CE1 PHE A 161 -11.371 5.047 5.202 1.00 0.00 C ATOM 107 CE2 PHE A 161 -9.316 4.982 6.422 1.00 0.00 C ATOM 108 CZ PHE A 161 -10.443 5.668 6.014 1.00 0.00 C ATOM 0 H PHE A 161 -9.405 -0.567 3.673 1.00 0.00 H new ATOM 0 HA PHE A 161 -10.228 1.977 2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -10.730 1.049 4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -9.032 1.180 5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -11.896 3.260 4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -8.235 3.144 6.337 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -12.254 5.581 4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -8.590 5.466 7.059 1.00 0.00 H new ATOM 0 HZ PHE A 161 -10.598 6.689 6.330 1.00 0.00 H new ATOM 118 N PHE A 162 -7.049 1.402 3.074 1.00 0.00 N ATOM 119 CA PHE A 162 -5.702 1.901 2.833 1.00 0.00 C ATOM 120 C PHE A 162 -5.521 2.283 1.370 1.00 0.00 C ATOM 121 O PHE A 162 -5.252 3.438 1.042 1.00 0.00 O ATOM 122 CB PHE A 162 -4.704 0.823 3.206 1.00 0.00 C ATOM 123 CG PHE A 162 -3.814 1.189 4.361 1.00 0.00 C ATOM 124 CD1 PHE A 162 -2.891 2.217 4.245 1.00 0.00 C ATOM 125 CD2 PHE A 162 -3.901 0.504 5.563 1.00 0.00 C ATOM 126 CE1 PHE A 162 -2.073 2.555 5.307 1.00 0.00 C ATOM 127 CE2 PHE A 162 -3.085 0.838 6.628 1.00 0.00 C ATOM 128 CZ PHE A 162 -2.171 1.865 6.499 1.00 0.00 C ATOM 0 H PHE A 162 -7.090 0.407 3.295 1.00 0.00 H new ATOM 0 HA PHE A 162 -5.539 2.791 3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -5.246 -0.090 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -4.083 0.601 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.810 2.760 3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -4.614 -0.300 5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -1.358 3.358 5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -3.162 0.297 7.559 1.00 0.00 H new ATOM 0 HZ PHE A 162 -1.533 2.128 7.330 1.00 0.00 H new ATOM 138 N LEU A 163 -5.699 1.296 0.493 1.00 0.00 N ATOM 139 CA LEU A 163 -5.586 1.510 -0.945 1.00 0.00 C ATOM 140 C LEU A 163 -6.701 2.432 -1.422 1.00 0.00 C ATOM 141 O LEU A 163 -6.756 2.822 -2.587 1.00 0.00 O ATOM 142 CB LEU A 163 -5.683 0.175 -1.678 1.00 0.00 C ATOM 143 CG LEU A 163 -4.356 -0.562 -1.871 1.00 0.00 C ATOM 144 CD1 LEU A 163 -4.590 -1.921 -2.513 1.00 0.00 C ATOM 145 CD2 LEU A 163 -3.399 0.270 -2.715 1.00 0.00 C ATOM 0 H LEU A 163 -5.923 0.337 0.757 1.00 0.00 H new ATOM 0 HA LEU A 163 -4.621 1.970 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.364 -0.474 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -6.129 0.348 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.903 -0.717 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -3.636 -2.431 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -5.237 -2.520 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -5.065 -1.787 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.461 -0.271 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -3.844 0.457 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.206 1.220 -2.216 1.00 0.00 H new ATOM 157 N PHE A 164 -7.591 2.760 -0.496 1.00 0.00 N ATOM 158 CA PHE A 164 -8.724 3.616 -0.768 1.00 0.00 C ATOM 159 C PHE A 164 -8.291 5.077 -0.865 1.00 0.00 C ATOM 160 O PHE A 164 -8.405 5.698 -1.922 1.00 0.00 O ATOM 161 CB PHE A 164 -9.740 3.443 0.357 1.00 0.00 C ATOM 162 CG PHE A 164 -11.118 3.087 -0.126 1.00 0.00 C ATOM 163 CD1 PHE A 164 -11.753 3.867 -1.077 1.00 0.00 C ATOM 164 CD2 PHE A 164 -11.775 1.972 0.371 1.00 0.00 C ATOM 165 CE1 PHE A 164 -13.020 3.543 -1.526 1.00 0.00 C ATOM 166 CE2 PHE A 164 -13.041 1.643 -0.074 1.00 0.00 C ATOM 167 CZ PHE A 164 -13.664 2.430 -1.023 1.00 0.00 C ATOM 0 H PHE A 164 -7.542 2.435 0.469 1.00 0.00 H new ATOM 0 HA PHE A 164 -9.169 3.337 -1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 164 -9.390 2.665 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 164 -9.793 4.367 0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 164 -11.253 4.739 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 164 -11.292 1.354 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 164 -13.505 4.159 -2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 164 -13.543 0.772 0.320 1.00 0.00 H new ATOM 0 HZ PHE A 164 -14.654 2.175 -1.371 1.00 0.00 H new ATOM 177 N LEU A 165 -7.787 5.617 0.239 1.00 0.00 N ATOM 178 CA LEU A 165 -7.331 7.002 0.267 1.00 0.00 C ATOM 179 C LEU A 165 -6.122 7.189 -0.643 1.00 0.00 C ATOM 180 O LEU A 165 -6.123 8.041 -1.531 1.00 0.00 O ATOM 181 CB LEU A 165 -6.972 7.419 1.693 1.00 0.00 C ATOM 182 CG LEU A 165 -7.845 8.534 2.279 1.00 0.00 C ATOM 183 CD1 LEU A 165 -8.824 7.972 3.299 1.00 0.00 C ATOM 184 CD2 LEU A 165 -6.979 9.615 2.910 1.00 0.00 C ATOM 0 H LEU A 165 -7.684 5.119 1.123 1.00 0.00 H new ATOM 0 HA LEU A 165 -8.144 7.632 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -7.042 6.545 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -5.932 7.745 1.710 1.00 0.00 H new ATOM 0 HG LEU A 165 -8.418 8.981 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -9.434 8.781 3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -9.469 7.237 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -8.272 7.495 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -7.616 10.398 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -6.378 9.180 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -6.321 10.042 2.153 1.00 0.00 H new ATOM 196 N LEU A 166 -5.089 6.388 -0.407 1.00 0.00 N ATOM 197 CA LEU A 166 -3.865 6.461 -1.194 1.00 0.00 C ATOM 198 C LEU A 166 -3.050 5.178 -1.040 1.00 0.00 C ATOM 199 O LEU A 166 -2.982 4.607 0.049 1.00 0.00 O ATOM 200 CB LEU A 166 -3.037 7.670 -0.753 1.00 0.00 C ATOM 201 CG LEU A 166 -2.473 8.524 -1.891 1.00 0.00 C ATOM 202 CD1 LEU A 166 -3.579 8.941 -2.847 1.00 0.00 C ATOM 203 CD2 LEU A 166 -1.756 9.744 -1.335 1.00 0.00 C ATOM 0 H LEU A 166 -5.076 5.679 0.326 1.00 0.00 H new ATOM 0 HA LEU A 166 -4.130 6.574 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -3.657 8.303 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -2.208 7.318 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 166 -1.751 7.925 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -3.157 9.547 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -4.047 8.053 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -4.327 9.522 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -1.361 10.340 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -2.457 10.345 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -0.936 9.423 -0.693 1.00 0.00 H new ATOM 215 N PRO A 167 -2.421 4.702 -2.129 1.00 0.00 N ATOM 216 CA PRO A 167 -1.617 3.476 -2.101 1.00 0.00 C ATOM 217 C PRO A 167 -0.490 3.527 -1.069 1.00 0.00 C ATOM 218 O PRO A 167 0.483 4.261 -1.234 1.00 0.00 O ATOM 219 CB PRO A 167 -1.032 3.380 -3.513 1.00 0.00 C ATOM 220 CG PRO A 167 -1.216 4.737 -4.110 1.00 0.00 C ATOM 221 CD PRO A 167 -2.447 5.305 -3.469 1.00 0.00 C ATOM 0 HA PRO A 167 -2.225 2.617 -1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 167 0.022 3.103 -3.484 1.00 0.00 H new ATOM 0 HB3 PRO A 167 -1.546 2.619 -4.101 1.00 0.00 H new ATOM 0 HG2 PRO A 167 -0.349 5.369 -3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 167 -1.332 4.675 -5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 167 -2.414 6.394 -3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 167 -3.350 5.036 -4.017 1.00 0.00 H new ATOM 229 N PRO A 168 -0.610 2.734 0.008 1.00 0.00 N ATOM 230 CA PRO A 168 0.396 2.670 1.070 1.00 0.00 C ATOM 231 C PRO A 168 1.568 1.770 0.696 1.00 0.00 C ATOM 232 O PRO A 168 1.572 0.579 1.011 1.00 0.00 O ATOM 233 CB PRO A 168 -0.386 2.058 2.226 1.00 0.00 C ATOM 234 CG PRO A 168 -1.347 1.142 1.555 1.00 0.00 C ATOM 235 CD PRO A 168 -1.739 1.823 0.273 1.00 0.00 C ATOM 0 HA PRO A 168 0.838 3.642 1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 168 0.268 1.520 2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 168 -0.901 2.821 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 168 -0.890 0.172 1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -2.219 0.962 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -1.875 1.106 -0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -2.678 2.367 0.378 1.00 0.00 H new ATOM 243 N ILE A 169 2.557 2.338 0.021 1.00 0.00 N ATOM 244 CA ILE A 169 3.727 1.577 -0.394 1.00 0.00 C ATOM 245 C ILE A 169 4.618 1.240 0.794 1.00 0.00 C ATOM 246 O ILE A 169 5.183 0.153 0.865 1.00 0.00 O ATOM 247 CB ILE A 169 4.557 2.346 -1.438 1.00 0.00 C ATOM 248 CG1 ILE A 169 4.843 3.766 -0.934 1.00 0.00 C ATOM 249 CG2 ILE A 169 3.835 2.357 -2.781 1.00 0.00 C ATOM 250 CD1 ILE A 169 4.563 4.866 -1.942 1.00 0.00 C ATOM 0 H ILE A 169 2.573 3.321 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 169 3.357 0.654 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 169 5.513 1.844 -1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 169 4.243 3.948 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 169 5.889 3.826 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 169 4.432 2.904 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 169 3.690 1.333 -3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 169 2.865 2.842 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 169 4.794 5.834 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 169 5.182 4.715 -2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 169 3.511 4.839 -2.227 1.00 0.00 H new ATOM 262 N ILE A 170 4.736 2.185 1.719 1.00 0.00 N ATOM 263 CA ILE A 170 5.557 2.010 2.913 1.00 0.00 C ATOM 264 C ILE A 170 4.826 1.206 3.985 1.00 0.00 C ATOM 265 O ILE A 170 5.404 0.314 4.605 1.00 0.00 O ATOM 266 CB ILE A 170 5.980 3.368 3.499 1.00 0.00 C ATOM 267 CG1 ILE A 170 6.483 4.299 2.392 1.00 0.00 C ATOM 268 CG2 ILE A 170 7.049 3.175 4.565 1.00 0.00 C ATOM 269 CD1 ILE A 170 7.375 3.617 1.376 1.00 0.00 C ATOM 0 H ILE A 170 4.268 3.090 1.664 1.00 0.00 H new ATOM 0 HA ILE A 170 6.445 1.458 2.606 1.00 0.00 H new ATOM 0 HB ILE A 170 5.109 3.831 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 170 5.625 4.731 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 170 7.031 5.125 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 170 7.338 4.145 4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 170 6.655 2.550 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 170 7.921 2.692 4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 170 7.691 4.341 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 170 8.252 3.209 1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 170 6.825 2.809 0.893 1.00 0.00 H new ATOM 281 N LEU A 171 3.553 1.527 4.202 1.00 0.00 N ATOM 282 CA LEU A 171 2.758 0.824 5.202 1.00 0.00 C ATOM 283 C LEU A 171 2.597 -0.634 4.800 1.00 0.00 C ATOM 284 O LEU A 171 2.991 -1.544 5.531 1.00 0.00 O ATOM 285 CB LEU A 171 1.386 1.489 5.355 1.00 0.00 C ATOM 286 CG LEU A 171 1.154 2.197 6.690 1.00 0.00 C ATOM 287 CD1 LEU A 171 1.054 1.185 7.819 1.00 0.00 C ATOM 288 CD2 LEU A 171 2.269 3.197 6.963 1.00 0.00 C ATOM 0 H LEU A 171 3.054 2.263 3.703 1.00 0.00 H new ATOM 0 HA LEU A 171 3.273 0.872 6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 171 1.259 2.213 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 171 0.615 0.730 5.225 1.00 0.00 H new ATOM 0 HG LEU A 171 0.211 2.741 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 171 0.889 1.707 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 171 0.221 0.508 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 171 1.980 0.613 7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 171 2.088 3.692 7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 171 3.225 2.675 7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 171 2.293 3.941 6.167 1.00 0.00 H new ATOM 300 N ASP A 172 2.036 -0.844 3.616 1.00 0.00 N ATOM 301 CA ASP A 172 1.839 -2.183 3.081 1.00 0.00 C ATOM 302 C ASP A 172 3.165 -2.788 2.609 1.00 0.00 C ATOM 303 O ASP A 172 3.191 -3.902 2.087 1.00 0.00 O ATOM 304 CB ASP A 172 0.833 -2.153 1.925 1.00 0.00 C ATOM 305 CG ASP A 172 -0.323 -3.110 2.143 1.00 0.00 C ATOM 306 OD1 ASP A 172 -1.272 -2.740 2.867 1.00 0.00 O ATOM 307 OD2 ASP A 172 -0.278 -4.229 1.591 1.00 0.00 O ATOM 0 H ASP A 172 1.707 -0.097 3.004 1.00 0.00 H new ATOM 0 HA ASP A 172 1.443 -2.810 3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 172 0.447 -1.140 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 172 1.343 -2.408 0.996 1.00 0.00 H new ATOM 312 N ALA A 173 4.267 -2.058 2.803 1.00 0.00 N ATOM 313 CA ALA A 173 5.578 -2.547 2.402 1.00 0.00 C ATOM 314 C ALA A 173 6.010 -3.662 3.342 1.00 0.00 C ATOM 315 O ALA A 173 6.315 -4.776 2.916 1.00 0.00 O ATOM 316 CB ALA A 173 6.600 -1.416 2.416 1.00 0.00 C ATOM 0 H ALA A 173 4.272 -1.133 3.233 1.00 0.00 H new ATOM 0 HA ALA A 173 5.517 -2.935 1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 173 7.574 -1.802 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 173 6.288 -0.635 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 173 6.671 -1.002 3.422 1.00 0.00 H new ATOM 322 N GLY A 174 6.005 -3.349 4.631 1.00 0.00 N ATOM 323 CA GLY A 174 6.366 -4.320 5.644 1.00 0.00 C ATOM 324 C GLY A 174 5.292 -4.453 6.711 1.00 0.00 C ATOM 325 O GLY A 174 5.337 -5.368 7.532 1.00 0.00 O ATOM 0 H GLY A 174 5.754 -2.430 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 174 6.533 -5.289 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 174 7.306 -4.026 6.110 1.00 0.00 H new ATOM 329 N TYR A 175 4.319 -3.536 6.691 1.00 0.00 N ATOM 330 CA TYR A 175 3.213 -3.539 7.648 1.00 0.00 C ATOM 331 C TYR A 175 3.688 -3.198 9.064 1.00 0.00 C ATOM 332 O TYR A 175 3.135 -2.309 9.709 1.00 0.00 O ATOM 333 CB TYR A 175 2.492 -4.896 7.634 1.00 0.00 C ATOM 334 CG TYR A 175 1.673 -5.175 8.877 1.00 0.00 C ATOM 335 CD1 TYR A 175 0.827 -4.209 9.405 1.00 0.00 C ATOM 336 CD2 TYR A 175 1.752 -6.403 9.522 1.00 0.00 C ATOM 337 CE1 TYR A 175 0.080 -4.459 10.542 1.00 0.00 C ATOM 338 CE2 TYR A 175 1.008 -6.661 10.659 1.00 0.00 C ATOM 339 CZ TYR A 175 0.176 -5.685 11.164 1.00 0.00 C ATOM 340 OH TYR A 175 -0.563 -5.938 12.296 1.00 0.00 O ATOM 0 H TYR A 175 4.278 -2.775 6.013 1.00 0.00 H new ATOM 0 HA TYR A 175 2.510 -2.764 7.341 1.00 0.00 H new ATOM 0 HB2 TYR A 175 1.837 -4.938 6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 175 3.232 -5.687 7.515 1.00 0.00 H new ATOM 0 HD1 TYR A 175 0.751 -3.247 8.920 1.00 0.00 H new ATOM 0 HD2 TYR A 175 2.405 -7.168 9.129 1.00 0.00 H new ATOM 0 HE1 TYR A 175 -0.575 -3.698 10.940 1.00 0.00 H new ATOM 0 HE2 TYR A 175 1.079 -7.621 11.148 1.00 0.00 H new ATOM 0 HH TYR A 175 -0.381 -6.849 12.609 1.00 0.00 H new ATOM 350 N PHE A 176 4.698 -3.914 9.548 1.00 0.00 N ATOM 351 CA PHE A 176 5.220 -3.681 10.890 1.00 0.00 C ATOM 352 C PHE A 176 6.383 -2.691 10.878 1.00 0.00 C ATOM 353 O PHE A 176 7.057 -2.505 11.893 1.00 0.00 O ATOM 354 CB PHE A 176 5.671 -5.002 11.515 1.00 0.00 C ATOM 355 CG PHE A 176 6.723 -5.712 10.712 1.00 0.00 C ATOM 356 CD1 PHE A 176 8.066 -5.423 10.896 1.00 0.00 C ATOM 357 CD2 PHE A 176 6.370 -6.667 9.772 1.00 0.00 C ATOM 358 CE1 PHE A 176 9.036 -6.072 10.158 1.00 0.00 C ATOM 359 CE2 PHE A 176 7.335 -7.320 9.030 1.00 0.00 C ATOM 360 CZ PHE A 176 8.670 -7.023 9.223 1.00 0.00 C ATOM 0 H PHE A 176 5.170 -4.658 9.033 1.00 0.00 H new ATOM 0 HA PHE A 176 4.417 -3.249 11.487 1.00 0.00 H new ATOM 0 HB2 PHE A 176 6.057 -4.809 12.516 1.00 0.00 H new ATOM 0 HB3 PHE A 176 4.807 -5.656 11.627 1.00 0.00 H new ATOM 0 HD1 PHE A 176 8.357 -4.681 11.625 1.00 0.00 H new ATOM 0 HD2 PHE A 176 5.328 -6.904 9.618 1.00 0.00 H new ATOM 0 HE1 PHE A 176 10.079 -5.837 10.311 1.00 0.00 H new ATOM 0 HE2 PHE A 176 7.046 -8.062 8.300 1.00 0.00 H new ATOM 0 HZ PHE A 176 9.427 -7.532 8.645 1.00 0.00 H new ATOM 370 N LEU A 177 6.610 -2.046 9.736 1.00 0.00 N ATOM 371 CA LEU A 177 7.686 -1.068 9.617 1.00 0.00 C ATOM 372 C LEU A 177 7.346 0.209 10.384 1.00 0.00 C ATOM 373 O LEU A 177 8.174 0.727 11.134 1.00 0.00 O ATOM 374 CB LEU A 177 7.959 -0.738 8.146 1.00 0.00 C ATOM 375 CG LEU A 177 7.949 -1.939 7.203 1.00 0.00 C ATOM 376 CD1 LEU A 177 8.253 -1.504 5.777 1.00 0.00 C ATOM 377 CD2 LEU A 177 8.951 -2.985 7.668 1.00 0.00 C ATOM 0 H LEU A 177 6.066 -2.183 8.884 1.00 0.00 H new ATOM 0 HA LEU A 177 8.585 -1.506 10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 177 7.212 -0.021 7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 177 8.929 -0.246 8.073 1.00 0.00 H new ATOM 0 HG LEU A 177 6.953 -2.382 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 177 8.241 -2.374 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 177 7.499 -0.790 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 177 9.237 -1.036 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 177 8.932 -3.835 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 177 9.951 -2.551 7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 177 8.689 -3.319 8.672 1.00 0.00 H new ATOM 389 N PRO A 178 6.115 0.735 10.215 1.00 0.00 N ATOM 390 CA PRO A 178 5.677 1.953 10.904 1.00 0.00 C ATOM 391 C PRO A 178 6.069 1.960 12.379 1.00 0.00 C ATOM 392 O PRO A 178 6.285 3.019 12.968 1.00 0.00 O ATOM 393 CB PRO A 178 4.158 1.905 10.745 1.00 0.00 C ATOM 394 CG PRO A 178 3.950 1.211 9.447 1.00 0.00 C ATOM 395 CD PRO A 178 5.051 0.189 9.344 1.00 0.00 C ATOM 0 HA PRO A 178 6.137 2.852 10.493 1.00 0.00 H new ATOM 0 HB2 PRO A 178 3.688 1.363 11.566 1.00 0.00 H new ATOM 0 HB3 PRO A 178 3.727 2.906 10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 178 2.970 0.735 9.412 1.00 0.00 H new ATOM 0 HG3 PRO A 178 3.992 1.915 8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 178 4.720 -0.793 9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 178 5.395 0.072 8.316 1.00 0.00 H new ATOM 403 N LEU A 179 6.171 0.771 12.965 1.00 0.00 N ATOM 404 CA LEU A 179 6.552 0.642 14.365 1.00 0.00 C ATOM 405 C LEU A 179 8.065 0.737 14.507 1.00 0.00 C ATOM 406 O LEU A 179 8.581 1.570 15.252 1.00 0.00 O ATOM 407 CB LEU A 179 6.057 -0.689 14.932 1.00 0.00 C ATOM 408 CG LEU A 179 4.641 -0.660 15.512 1.00 0.00 C ATOM 409 CD1 LEU A 179 3.639 -1.196 14.503 1.00 0.00 C ATOM 410 CD2 LEU A 179 4.577 -1.460 16.806 1.00 0.00 C ATOM 0 H LEU A 179 5.995 -0.115 12.492 1.00 0.00 H new ATOM 0 HA LEU A 179 6.091 1.455 14.926 1.00 0.00 H new ATOM 0 HB2 LEU A 179 6.094 -1.439 14.142 1.00 0.00 H new ATOM 0 HB3 LEU A 179 6.746 -1.013 15.712 1.00 0.00 H new ATOM 0 HG LEU A 179 4.383 0.375 15.735 1.00 0.00 H new ATOM 0 HD11 LEU A 179 2.638 -1.167 14.934 1.00 0.00 H new ATOM 0 HD12 LEU A 179 3.665 -0.581 13.603 1.00 0.00 H new ATOM 0 HD13 LEU A 179 3.895 -2.224 14.247 1.00 0.00 H new ATOM 0 HD21 LEU A 179 3.563 -1.428 17.204 1.00 0.00 H new ATOM 0 HD22 LEU A 179 4.857 -2.495 16.608 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.266 -1.031 17.534 1.00 0.00 H new ATOM 422 N ARG A 180 8.770 -0.119 13.775 1.00 0.00 N ATOM 423 CA ARG A 180 10.226 -0.133 13.802 1.00 0.00 C ATOM 424 C ARG A 180 10.787 0.846 12.775 1.00 0.00 C ATOM 425 O ARG A 180 11.803 0.575 12.133 1.00 0.00 O ATOM 426 CB ARG A 180 10.748 -1.542 13.521 1.00 0.00 C ATOM 427 CG ARG A 180 10.408 -2.543 14.614 1.00 0.00 C ATOM 428 CD ARG A 180 9.099 -3.261 14.327 1.00 0.00 C ATOM 429 NE ARG A 180 8.261 -3.363 15.519 1.00 0.00 N ATOM 430 CZ ARG A 180 7.267 -4.238 15.655 1.00 0.00 C ATOM 431 NH1 ARG A 180 6.987 -5.092 14.679 1.00 0.00 N ATOM 432 NH2 ARG A 180 6.551 -4.259 16.771 1.00 0.00 N ATOM 0 H ARG A 180 8.354 -0.814 13.154 1.00 0.00 H new ATOM 0 HA ARG A 180 10.556 0.174 14.795 1.00 0.00 H new ATOM 0 HB2 ARG A 180 10.333 -1.893 12.576 1.00 0.00 H new ATOM 0 HB3 ARG A 180 11.830 -1.502 13.399 1.00 0.00 H new ATOM 0 HG2 ARG A 180 11.212 -3.273 14.703 1.00 0.00 H new ATOM 0 HG3 ARG A 180 10.339 -2.027 15.572 1.00 0.00 H new ATOM 0 HD2 ARG A 180 8.556 -2.728 13.546 1.00 0.00 H new ATOM 0 HD3 ARG A 180 9.309 -4.260 13.944 1.00 0.00 H new ATOM 0 HE ARG A 180 8.449 -2.726 16.293 1.00 0.00 H new ATOM 0 HH11 ARG A 180 7.535 -5.080 13.819 1.00 0.00 H new ATOM 0 HH12 ARG A 180 6.224 -5.760 14.789 1.00 0.00 H new ATOM 0 HH21 ARG A 180 6.762 -3.605 17.525 1.00 0.00 H new ATOM 0 HH22 ARG A 180 5.789 -4.929 16.876 1.00 0.00 H new HETATM 446 N HSL A 181 10.077 2.025 12.635 1.00 0.00 N HETATM 447 CA HSL A 181 10.471 3.060 11.703 1.00 0.00 C HETATM 448 C HSL A 181 10.815 4.367 12.406 1.00 0.00 C HETATM 449 O HSL A 181 11.800 4.606 13.064 1.00 0.00 O HETATM 450 CB HSL A 181 9.376 3.468 10.730 1.00 0.00 C HETATM 451 CG HSL A 181 8.805 4.715 11.389 1.00 0.00 C HETATM 452 OD HSL A 181 9.831 5.253 12.185 1.00 0.00 O HETATM 0 HG3 HSL A 181 8.479 5.435 10.639 1.00 0.00 H new HETATM 0 HG2 HSL A 181 7.933 4.469 11.995 1.00 0.00 H new HETATM 0 HB3 HSL A 181 9.772 3.678 9.737 1.00 0.00 H new HETATM 0 HB2 HSL A 181 8.623 2.688 10.614 1.00 0.00 H new HETATM 0 HA HSL A 181 11.318 2.606 11.189 1.00 0.00 H new TER 459 HSL A 181