USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 452 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 150 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 164 MET CE :methyl -154:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= -1.04 K(o=-1,f=-6.8!) USER MOD Single : A 136 GLN : amide:sc= -0.333 K(o=-0.33,f=-2) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 155 ASN : amide:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 160 LYS NZ :NH3+ -103:sc= -0.131 (180deg=-2.33!) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot -92:sc= 0.563 USER MOD Single : A 172 THR OG1 : rot -130:sc= -0.348 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= -0.564 K(o=-0.56,f=-4.3!) USER MOD Single : A 183 LYS NZ :NH3+ -147:sc= 0.0271 (180deg=-0.431) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 -4.441 -9.470 -15.733 1.00 0.00 N ATOM 2 CA ALA A 127 -3.957 -8.641 -14.599 1.00 0.00 C ATOM 3 C ALA A 127 -4.567 -9.109 -13.282 1.00 0.00 C ATOM 4 O ALA A 127 -5.789 -9.172 -13.139 1.00 0.00 O ATOM 5 CB ALA A 127 -4.284 -7.176 -14.839 1.00 0.00 C ATOM 0 HA ALA A 127 -2.875 -8.755 -14.533 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -3.924 -6.581 -14.000 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -3.800 -6.841 -15.756 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.363 -7.055 -14.933 1.00 0.00 H new ATOM 13 N GLN A 128 -3.709 -9.439 -12.322 1.00 0.00 N ATOM 14 CA GLN A 128 -4.164 -9.900 -11.015 1.00 0.00 C ATOM 15 C GLN A 128 -3.020 -9.888 -10.006 1.00 0.00 C ATOM 16 O GLN A 128 -2.215 -10.819 -9.953 1.00 0.00 O ATOM 17 CB GLN A 128 -4.748 -11.310 -11.125 1.00 0.00 C ATOM 18 CG GLN A 128 -5.956 -11.539 -10.231 1.00 0.00 C ATOM 19 CD GLN A 128 -5.570 -11.927 -8.817 1.00 0.00 C ATOM 20 OE1 GLN A 128 -4.479 -11.599 -8.347 1.00 0.00 O ATOM 21 NE2 GLN A 128 -6.464 -12.629 -8.131 1.00 0.00 N ATOM 0 H GLN A 128 -2.695 -9.396 -12.424 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.940 -9.219 -10.666 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.032 -11.497 -12.161 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -3.975 -12.035 -10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -6.560 -10.632 -10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -6.579 -12.323 -10.662 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -7.355 -12.878 -8.560 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -6.260 -12.919 -7.175 1.00 0.00 H new ATOM 30 N VAL A 129 -2.954 -8.828 -9.207 1.00 0.00 N ATOM 31 CA VAL A 129 -1.909 -8.694 -8.199 1.00 0.00 C ATOM 32 C VAL A 129 -2.505 -8.570 -6.800 1.00 0.00 C ATOM 33 O VAL A 129 -3.248 -7.632 -6.512 1.00 0.00 O ATOM 34 CB VAL A 129 -1.017 -7.469 -8.472 1.00 0.00 C ATOM 35 CG1 VAL A 129 0.181 -7.458 -7.536 1.00 0.00 C ATOM 36 CG2 VAL A 129 -0.566 -7.452 -9.926 1.00 0.00 C ATOM 0 H VAL A 129 -3.612 -8.049 -9.238 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.301 -9.597 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 129 -1.602 -6.569 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.798 -6.584 -7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -0.165 -7.419 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 129 0.769 -8.363 -7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 129 0.063 -6.580 -10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 129 0.001 -8.358 -10.142 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.439 -7.406 -10.577 1.00 0.00 H new ATOM 46 N ALA A 130 -2.176 -9.526 -5.937 1.00 0.00 N ATOM 47 CA ALA A 130 -2.678 -9.524 -4.569 1.00 0.00 C ATOM 48 C ALA A 130 -2.040 -8.407 -3.750 1.00 0.00 C ATOM 49 O ALA A 130 -0.957 -7.924 -4.080 1.00 0.00 O ATOM 50 CB ALA A 130 -2.425 -10.873 -3.912 1.00 0.00 C ATOM 0 H ALA A 130 -1.564 -10.311 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 130 -3.753 -9.344 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -2.805 -10.857 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.934 -11.654 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -1.354 -11.076 -3.898 1.00 0.00 H new ATOM 56 N PHE A 131 -2.718 -8.001 -2.682 1.00 0.00 N ATOM 57 CA PHE A 131 -2.216 -6.941 -1.815 1.00 0.00 C ATOM 58 C PHE A 131 -1.523 -7.524 -0.588 1.00 0.00 C ATOM 59 O PHE A 131 -1.804 -8.650 -0.180 1.00 0.00 O ATOM 60 CB PHE A 131 -3.362 -6.025 -1.382 1.00 0.00 C ATOM 61 CG PHE A 131 -2.950 -4.591 -1.202 1.00 0.00 C ATOM 62 CD1 PHE A 131 -2.876 -3.736 -2.289 1.00 0.00 C ATOM 63 CD2 PHE A 131 -2.637 -4.099 0.055 1.00 0.00 C ATOM 64 CE1 PHE A 131 -2.498 -2.417 -2.127 1.00 0.00 C ATOM 65 CE2 PHE A 131 -2.258 -2.781 0.224 1.00 0.00 C ATOM 66 CZ PHE A 131 -2.189 -1.939 -0.868 1.00 0.00 C ATOM 0 H PHE A 131 -3.617 -8.390 -2.396 1.00 0.00 H new ATOM 0 HA PHE A 131 -1.487 -6.359 -2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -4.157 -6.075 -2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -3.778 -6.395 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -3.117 -4.105 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -2.690 -4.753 0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -2.444 -1.761 -2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -2.016 -2.410 1.209 1.00 0.00 H new ATOM 0 HZ PHE A 131 -1.894 -0.908 -0.738 1.00 0.00 H new ATOM 76 N ARG A 132 -0.614 -6.748 -0.004 1.00 0.00 N ATOM 77 CA ARG A 132 0.119 -7.187 1.177 1.00 0.00 C ATOM 78 C ARG A 132 0.636 -5.993 1.972 1.00 0.00 C ATOM 79 O ARG A 132 0.984 -4.959 1.403 1.00 0.00 O ATOM 80 CB ARG A 132 1.286 -8.089 0.775 1.00 0.00 C ATOM 81 CG ARG A 132 1.994 -8.735 1.955 1.00 0.00 C ATOM 82 CD ARG A 132 1.588 -10.190 2.122 1.00 0.00 C ATOM 83 NE ARG A 132 1.699 -10.633 3.509 1.00 0.00 N ATOM 84 CZ ARG A 132 1.768 -11.911 3.877 1.00 0.00 C ATOM 85 NH1 ARG A 132 1.735 -12.875 2.964 1.00 0.00 N ATOM 86 NH2 ARG A 132 1.868 -12.226 5.160 1.00 0.00 N ATOM 0 H ARG A 132 -0.368 -5.813 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 132 -0.567 -7.752 1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.917 -8.871 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.008 -7.503 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 132 3.073 -8.672 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 132 1.760 -8.184 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 132 0.561 -10.321 1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.217 -10.817 1.490 1.00 0.00 H new ATOM 0 HE ARG A 132 1.725 -9.921 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 132 1.656 -12.638 1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 132 1.788 -13.852 3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 132 1.892 -11.490 5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 132 1.921 -13.205 5.442 1.00 0.00 H new ATOM 100 N GLU A 133 0.684 -6.144 3.292 1.00 0.00 N ATOM 101 CA GLU A 133 1.159 -5.079 4.166 1.00 0.00 C ATOM 102 C GLU A 133 2.604 -4.711 3.840 1.00 0.00 C ATOM 103 O GLU A 133 3.506 -5.541 3.949 1.00 0.00 O ATOM 104 CB GLU A 133 1.047 -5.507 5.630 1.00 0.00 C ATOM 105 CG GLU A 133 1.788 -6.797 5.946 1.00 0.00 C ATOM 106 CD GLU A 133 0.995 -7.718 6.851 1.00 0.00 C ATOM 107 OE1 GLU A 133 -0.023 -8.274 6.389 1.00 0.00 O ATOM 108 OE2 GLU A 133 1.392 -7.883 8.024 1.00 0.00 O ATOM 0 H GLU A 133 0.400 -6.994 3.779 1.00 0.00 H new ATOM 0 HA GLU A 133 0.534 -4.201 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.436 -4.710 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.006 -5.631 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 133 2.018 -7.317 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.740 -6.558 6.421 1.00 0.00 H new ATOM 115 N GLY A 134 2.813 -3.462 3.440 1.00 0.00 N ATOM 116 CA GLY A 134 4.149 -3.004 3.104 1.00 0.00 C ATOM 117 C GLY A 134 4.384 -2.940 1.606 1.00 0.00 C ATOM 118 O GLY A 134 5.527 -2.927 1.153 1.00 0.00 O ATOM 0 H GLY A 134 2.081 -2.758 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.310 -2.016 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.882 -3.672 3.555 1.00 0.00 H new ATOM 122 N ASP A 135 3.300 -2.898 0.835 1.00 0.00 N ATOM 123 CA ASP A 135 3.399 -2.835 -0.618 1.00 0.00 C ATOM 124 C ASP A 135 3.781 -1.430 -1.076 1.00 0.00 C ATOM 125 O ASP A 135 3.589 -0.456 -0.348 1.00 0.00 O ATOM 126 CB ASP A 135 2.074 -3.252 -1.259 1.00 0.00 C ATOM 127 CG ASP A 135 2.271 -4.169 -2.449 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.001 -3.781 -3.384 1.00 0.00 O ATOM 129 OD2 ASP A 135 1.695 -5.278 -2.446 1.00 0.00 O ATOM 0 H ASP A 135 2.345 -2.907 1.193 1.00 0.00 H new ATOM 0 HA ASP A 135 4.180 -3.526 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.456 -3.755 -0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.531 -2.362 -1.576 1.00 0.00 H new ATOM 134 N GLN A 136 4.326 -1.336 -2.285 1.00 0.00 N ATOM 135 CA GLN A 136 4.738 -0.052 -2.840 1.00 0.00 C ATOM 136 C GLN A 136 3.825 0.369 -3.987 1.00 0.00 C ATOM 137 O GLN A 136 3.616 -0.384 -4.938 1.00 0.00 O ATOM 138 CB GLN A 136 6.187 -0.123 -3.326 1.00 0.00 C ATOM 139 CG GLN A 136 6.457 -1.289 -4.264 1.00 0.00 C ATOM 140 CD GLN A 136 7.633 -1.033 -5.188 1.00 0.00 C ATOM 141 OE1 GLN A 136 7.597 -0.129 -6.023 1.00 0.00 O ATOM 142 NE2 GLN A 136 8.684 -1.830 -5.042 1.00 0.00 N ATOM 0 H GLN A 136 4.492 -2.134 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 136 4.662 0.695 -2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.437 0.808 -3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.848 -0.201 -2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.650 -2.186 -3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 136 5.566 -1.484 -4.861 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.671 -2.567 -4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.505 -1.706 -5.635 1.00 0.00 H new ATOM 151 N VAL A 137 3.285 1.580 -3.890 1.00 0.00 N ATOM 152 CA VAL A 137 2.394 2.110 -4.916 1.00 0.00 C ATOM 153 C VAL A 137 2.657 3.593 -5.150 1.00 0.00 C ATOM 154 O VAL A 137 2.910 4.340 -4.205 1.00 0.00 O ATOM 155 CB VAL A 137 0.916 1.918 -4.525 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.521 0.451 -4.618 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.660 2.461 -3.127 1.00 0.00 C ATOM 0 H VAL A 137 3.450 2.214 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 137 2.595 1.556 -5.833 1.00 0.00 H new ATOM 0 HB VAL A 137 0.298 2.478 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.526 0.338 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.663 0.100 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.143 -0.137 -3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.389 2.317 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.287 1.931 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.898 3.524 -3.101 1.00 0.00 H new ATOM 167 N ARG A 138 2.598 4.018 -6.409 1.00 0.00 N ATOM 168 CA ARG A 138 2.834 5.417 -6.748 1.00 0.00 C ATOM 169 C ARG A 138 1.594 6.258 -6.472 1.00 0.00 C ATOM 170 O ARG A 138 0.487 5.734 -6.340 1.00 0.00 O ATOM 171 CB ARG A 138 3.250 5.559 -8.216 1.00 0.00 C ATOM 172 CG ARG A 138 4.592 6.254 -8.405 1.00 0.00 C ATOM 173 CD ARG A 138 5.442 5.549 -9.451 1.00 0.00 C ATOM 174 NE ARG A 138 4.707 5.325 -10.695 1.00 0.00 N ATOM 175 CZ ARG A 138 5.288 5.039 -11.858 1.00 0.00 C ATOM 176 NH1 ARG A 138 6.610 4.944 -11.942 1.00 0.00 N ATOM 177 NH2 ARG A 138 4.546 4.848 -12.940 1.00 0.00 N ATOM 0 H ARG A 138 2.390 3.417 -7.207 1.00 0.00 H new ATOM 0 HA ARG A 138 3.647 5.780 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.296 4.569 -8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.482 6.119 -8.750 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.428 7.289 -8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.127 6.278 -7.456 1.00 0.00 H new ATOM 0 HD2 ARG A 138 6.331 6.145 -9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.784 4.593 -9.055 1.00 0.00 H new ATOM 0 HE ARG A 138 3.689 5.392 -10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.186 5.090 -11.113 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.050 4.725 -12.836 1.00 0.00 H new ATOM 0 HH21 ARG A 138 3.530 4.920 -12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 138 4.991 4.629 -13.831 1.00 0.00 H new ATOM 191 N VAL A 139 1.793 7.566 -6.379 1.00 0.00 N ATOM 192 CA VAL A 139 0.703 8.495 -6.110 1.00 0.00 C ATOM 193 C VAL A 139 -0.104 8.797 -7.373 1.00 0.00 C ATOM 194 O VAL A 139 0.419 8.735 -8.486 1.00 0.00 O ATOM 195 CB VAL A 139 1.244 9.813 -5.526 1.00 0.00 C ATOM 196 CG1 VAL A 139 0.103 10.721 -5.099 1.00 0.00 C ATOM 197 CG2 VAL A 139 2.182 9.537 -4.358 1.00 0.00 C ATOM 0 H VAL A 139 2.705 8.010 -6.487 1.00 0.00 H new ATOM 0 HA VAL A 139 0.046 8.017 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 139 1.810 10.325 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.508 11.646 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.523 10.949 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.496 10.220 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.554 10.481 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.643 9.000 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.022 8.932 -4.701 1.00 0.00 H new ATOM 207 N VAL A 140 -1.387 9.110 -7.189 1.00 0.00 N ATOM 208 CA VAL A 140 -2.279 9.408 -8.310 1.00 0.00 C ATOM 209 C VAL A 140 -2.364 10.906 -8.607 1.00 0.00 C ATOM 210 O VAL A 140 -2.778 11.304 -9.696 1.00 0.00 O ATOM 211 CB VAL A 140 -3.701 8.890 -8.034 1.00 0.00 C ATOM 212 CG1 VAL A 140 -3.691 7.383 -7.834 1.00 0.00 C ATOM 213 CG2 VAL A 140 -4.300 9.598 -6.825 1.00 0.00 C ATOM 0 H VAL A 140 -1.832 9.164 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 140 -1.852 8.902 -9.176 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.325 9.111 -8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.706 7.035 -7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.307 6.899 -8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -3.053 7.133 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -5.306 9.220 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.679 9.411 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -4.344 10.670 -7.016 1.00 0.00 H new ATOM 223 N SER A 141 -1.989 11.731 -7.636 1.00 0.00 N ATOM 224 CA SER A 141 -2.049 13.180 -7.806 1.00 0.00 C ATOM 225 C SER A 141 -0.862 13.685 -8.618 1.00 0.00 C ATOM 226 O SER A 141 0.196 13.062 -8.638 1.00 0.00 O ATOM 227 CB SER A 141 -2.079 13.873 -6.442 1.00 0.00 C ATOM 228 OG SER A 141 -3.391 13.886 -5.906 1.00 0.00 O ATOM 0 H SER A 141 -1.642 11.425 -6.727 1.00 0.00 H new ATOM 0 HA SER A 141 -2.964 13.418 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 141 -1.407 13.359 -5.755 1.00 0.00 H new ATOM 0 HB3 SER A 141 -1.713 14.895 -6.542 1.00 0.00 H new ATOM 0 HG SER A 141 -3.384 14.333 -5.034 1.00 0.00 H new ATOM 234 N GLY A 142 -1.054 14.814 -9.295 1.00 0.00 N ATOM 235 CA GLY A 142 0.004 15.383 -10.112 1.00 0.00 C ATOM 236 C GLY A 142 1.210 15.821 -9.299 1.00 0.00 C ATOM 237 O GLY A 142 2.300 15.274 -9.467 1.00 0.00 O ATOM 0 H GLY A 142 -1.925 15.346 -9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 142 0.319 14.648 -10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.388 16.239 -10.660 1.00 0.00 H new ATOM 241 N PRO A 143 1.049 16.811 -8.406 1.00 0.00 N ATOM 242 CA PRO A 143 2.145 17.312 -7.571 1.00 0.00 C ATOM 243 C PRO A 143 2.846 16.199 -6.800 1.00 0.00 C ATOM 244 O PRO A 143 4.001 16.341 -6.397 1.00 0.00 O ATOM 245 CB PRO A 143 1.457 18.287 -6.600 1.00 0.00 C ATOM 246 CG PRO A 143 -0.006 18.023 -6.736 1.00 0.00 C ATOM 247 CD PRO A 143 -0.208 17.521 -8.135 1.00 0.00 C ATOM 0 HA PRO A 143 2.925 17.777 -8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.792 18.122 -5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.694 19.321 -6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.339 17.286 -6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.584 18.930 -6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.071 16.859 -8.207 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.372 18.337 -8.839 1.00 0.00 H new ATOM 255 N PHE A 144 2.143 15.089 -6.599 1.00 0.00 N ATOM 256 CA PHE A 144 2.699 13.951 -5.875 1.00 0.00 C ATOM 257 C PHE A 144 2.936 12.758 -6.802 1.00 0.00 C ATOM 258 O PHE A 144 3.370 11.699 -6.354 1.00 0.00 O ATOM 259 CB PHE A 144 1.752 13.528 -4.750 1.00 0.00 C ATOM 260 CG PHE A 144 1.197 14.671 -3.950 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.015 15.704 -3.523 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.149 14.706 -3.625 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.498 16.754 -2.786 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.671 15.750 -2.890 1.00 0.00 C ATOM 265 CZ PHE A 144 0.152 16.777 -2.469 1.00 0.00 C ATOM 0 H PHE A 144 1.187 14.953 -6.927 1.00 0.00 H new ATOM 0 HA PHE A 144 3.657 14.264 -5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.924 12.964 -5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.282 12.853 -4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.067 15.689 -3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.798 13.906 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.144 17.555 -2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.722 15.765 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 144 -0.255 17.596 -1.894 1.00 0.00 H new ATOM 275 N ALA A 145 2.635 12.927 -8.089 1.00 0.00 N ATOM 276 CA ALA A 145 2.796 11.849 -9.066 1.00 0.00 C ATOM 277 C ALA A 145 4.264 11.519 -9.341 1.00 0.00 C ATOM 278 O ALA A 145 4.668 11.385 -10.497 1.00 0.00 O ATOM 279 CB ALA A 145 2.088 12.212 -10.364 1.00 0.00 C ATOM 0 H ALA A 145 2.279 13.799 -8.480 1.00 0.00 H new ATOM 0 HA ALA A 145 2.343 10.955 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 145 2.213 11.404 -11.085 1.00 0.00 H new ATOM 0 HB2 ALA A 145 1.026 12.363 -10.169 1.00 0.00 H new ATOM 0 HB3 ALA A 145 2.517 13.129 -10.768 1.00 0.00 H new ATOM 285 N ASP A 146 5.053 11.366 -8.286 1.00 0.00 N ATOM 286 CA ASP A 146 6.461 11.030 -8.433 1.00 0.00 C ATOM 287 C ASP A 146 7.015 10.459 -7.138 1.00 0.00 C ATOM 288 O ASP A 146 8.187 10.643 -6.811 1.00 0.00 O ATOM 289 CB ASP A 146 7.269 12.254 -8.865 1.00 0.00 C ATOM 290 CG ASP A 146 7.075 13.433 -7.931 1.00 0.00 C ATOM 291 OD1 ASP A 146 5.926 13.672 -7.504 1.00 0.00 O ATOM 292 OD2 ASP A 146 8.075 14.120 -7.626 1.00 0.00 O ATOM 0 H ASP A 146 4.741 11.469 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 146 6.548 10.270 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 146 8.327 11.993 -8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 146 6.976 12.542 -9.875 1.00 0.00 H new ATOM 297 N PHE A 147 6.157 9.761 -6.407 1.00 0.00 N ATOM 298 CA PHE A 147 6.543 9.152 -5.142 1.00 0.00 C ATOM 299 C PHE A 147 5.656 7.956 -4.834 1.00 0.00 C ATOM 300 O PHE A 147 4.469 7.951 -5.160 1.00 0.00 O ATOM 301 CB PHE A 147 6.454 10.173 -4.007 1.00 0.00 C ATOM 302 CG PHE A 147 7.115 11.484 -4.321 1.00 0.00 C ATOM 303 CD1 PHE A 147 8.494 11.610 -4.267 1.00 0.00 C ATOM 304 CD2 PHE A 147 6.357 12.590 -4.670 1.00 0.00 C ATOM 305 CE1 PHE A 147 9.104 12.815 -4.556 1.00 0.00 C ATOM 306 CE2 PHE A 147 6.962 13.798 -4.960 1.00 0.00 C ATOM 307 CZ PHE A 147 8.337 13.911 -4.903 1.00 0.00 C ATOM 0 H PHE A 147 5.184 9.602 -6.670 1.00 0.00 H new ATOM 0 HA PHE A 147 7.575 8.811 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.405 10.352 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.912 9.750 -3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 147 9.098 10.757 -3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 147 5.281 12.507 -4.716 1.00 0.00 H new ATOM 0 HE1 PHE A 147 10.180 12.901 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 147 6.360 14.653 -5.231 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.812 14.854 -5.129 1.00 0.00 H new ATOM 317 N THR A 148 6.235 6.944 -4.206 1.00 0.00 N ATOM 318 CA THR A 148 5.490 5.743 -3.855 1.00 0.00 C ATOM 319 C THR A 148 5.074 5.772 -2.391 1.00 0.00 C ATOM 320 O THR A 148 5.431 6.689 -1.651 1.00 0.00 O ATOM 321 CB THR A 148 6.326 4.493 -4.139 1.00 0.00 C ATOM 322 OG1 THR A 148 7.543 4.531 -3.415 1.00 0.00 O ATOM 323 CG2 THR A 148 6.667 4.320 -5.603 1.00 0.00 C ATOM 0 H THR A 148 7.217 6.930 -3.929 1.00 0.00 H new ATOM 0 HA THR A 148 4.590 5.712 -4.469 1.00 0.00 H new ATOM 0 HB THR A 148 5.706 3.653 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 148 8.064 3.723 -3.608 1.00 0.00 H new ATOM 0 HG21 THR A 148 7.260 3.415 -5.734 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.748 4.238 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 148 7.239 5.182 -5.948 1.00 0.00 H new ATOM 331 N GLY A 149 4.314 4.764 -1.977 1.00 0.00 N ATOM 332 CA GLY A 149 3.861 4.698 -0.602 1.00 0.00 C ATOM 333 C GLY A 149 3.973 3.305 -0.017 1.00 0.00 C ATOM 334 O GLY A 149 3.900 2.312 -0.741 1.00 0.00 O ATOM 0 H GLY A 149 4.004 3.993 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.447 5.390 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.823 5.028 -0.549 1.00 0.00 H new ATOM 338 N THR A 150 4.154 3.232 1.296 1.00 0.00 N ATOM 339 CA THR A 150 4.277 1.951 1.984 1.00 0.00 C ATOM 340 C THR A 150 3.099 1.721 2.924 1.00 0.00 C ATOM 341 O THR A 150 2.949 2.419 3.927 1.00 0.00 O ATOM 342 CB THR A 150 5.588 1.895 2.769 1.00 0.00 C ATOM 343 OG1 THR A 150 6.606 2.616 2.100 1.00 0.00 O ATOM 344 CG2 THR A 150 6.092 0.485 2.990 1.00 0.00 C ATOM 0 H THR A 150 4.219 4.046 1.907 1.00 0.00 H new ATOM 0 HA THR A 150 4.277 1.162 1.232 1.00 0.00 H new ATOM 0 HB THR A 150 5.363 2.340 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.452 2.127 2.169 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.025 0.516 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.349 -0.083 3.550 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.265 0.005 2.027 1.00 0.00 H new ATOM 352 N VAL A 151 2.264 0.742 2.595 1.00 0.00 N ATOM 353 CA VAL A 151 1.101 0.424 3.414 1.00 0.00 C ATOM 354 C VAL A 151 1.521 -0.121 4.774 1.00 0.00 C ATOM 355 O VAL A 151 1.999 -1.250 4.881 1.00 0.00 O ATOM 356 CB VAL A 151 0.186 -0.604 2.722 1.00 0.00 C ATOM 357 CG1 VAL A 151 -1.110 -0.777 3.500 1.00 0.00 C ATOM 358 CG2 VAL A 151 -0.095 -0.189 1.286 1.00 0.00 C ATOM 0 H VAL A 151 2.371 0.155 1.767 1.00 0.00 H new ATOM 0 HA VAL A 151 0.549 1.354 3.551 1.00 0.00 H new ATOM 0 HB VAL A 151 0.700 -1.565 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.743 -1.507 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.886 -1.127 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.632 0.179 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.743 -0.928 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.587 0.783 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 151 0.844 -0.125 0.735 1.00 0.00 H new ATOM 368 N THR A 152 1.338 0.689 5.811 1.00 0.00 N ATOM 369 CA THR A 152 1.700 0.291 7.166 1.00 0.00 C ATOM 370 C THR A 152 0.542 -0.433 7.847 1.00 0.00 C ATOM 371 O THR A 152 0.714 -1.519 8.400 1.00 0.00 O ATOM 372 CB THR A 152 2.111 1.513 7.990 1.00 0.00 C ATOM 373 OG1 THR A 152 2.349 2.629 7.151 1.00 0.00 O ATOM 374 CG2 THR A 152 3.358 1.285 8.815 1.00 0.00 C ATOM 0 H THR A 152 0.941 1.626 5.739 1.00 0.00 H new ATOM 0 HA THR A 152 2.546 -0.393 7.103 1.00 0.00 H new ATOM 0 HB THR A 152 1.276 1.699 8.665 1.00 0.00 H new ATOM 0 HG1 THR A 152 2.609 3.400 7.698 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.594 2.190 9.375 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.189 0.462 9.510 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.190 1.038 8.156 1.00 0.00 H new ATOM 382 N GLU A 153 -0.639 0.176 7.802 1.00 0.00 N ATOM 383 CA GLU A 153 -1.824 -0.412 8.416 1.00 0.00 C ATOM 384 C GLU A 153 -3.032 -0.303 7.489 1.00 0.00 C ATOM 385 O GLU A 153 -3.021 0.463 6.524 1.00 0.00 O ATOM 386 CB GLU A 153 -2.126 0.274 9.750 1.00 0.00 C ATOM 387 CG GLU A 153 -1.619 -0.497 10.958 1.00 0.00 C ATOM 388 CD GLU A 153 -1.542 0.361 12.207 1.00 0.00 C ATOM 389 OE1 GLU A 153 -2.347 1.308 12.326 1.00 0.00 O ATOM 390 OE2 GLU A 153 -0.675 0.086 13.063 1.00 0.00 O ATOM 0 H GLU A 153 -0.801 1.075 7.348 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.622 -1.468 8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -1.677 1.267 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.203 0.411 9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -2.277 -1.346 11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -0.631 -0.901 10.738 1.00 0.00 H new ATOM 397 N ILE A 154 -4.072 -1.074 7.790 1.00 0.00 N ATOM 398 CA ILE A 154 -5.289 -1.064 6.987 1.00 0.00 C ATOM 399 C ILE A 154 -6.518 -0.817 7.856 1.00 0.00 C ATOM 400 O ILE A 154 -6.530 -1.158 9.040 1.00 0.00 O ATOM 401 CB ILE A 154 -5.471 -2.393 6.225 1.00 0.00 C ATOM 402 CG1 ILE A 154 -4.191 -2.753 5.467 1.00 0.00 C ATOM 403 CG2 ILE A 154 -6.654 -2.301 5.272 1.00 0.00 C ATOM 404 CD1 ILE A 154 -3.794 -4.206 5.606 1.00 0.00 C ATOM 0 H ILE A 154 -4.096 -1.714 8.584 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.187 -0.252 6.267 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.675 -3.183 6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -4.327 -2.521 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -3.376 -2.126 5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -6.769 -3.247 4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.561 -2.090 5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -6.480 -1.501 4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.879 -4.389 5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -3.626 -4.438 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -4.591 -4.840 5.218 1.00 0.00 H new ATOM 416 N ASN A 155 -7.548 -0.225 7.263 1.00 0.00 N ATOM 417 CA ASN A 155 -8.781 0.067 7.984 1.00 0.00 C ATOM 418 C ASN A 155 -9.942 -0.759 7.435 1.00 0.00 C ATOM 419 O ASN A 155 -10.678 -0.305 6.558 1.00 0.00 O ATOM 420 CB ASN A 155 -9.109 1.559 7.890 1.00 0.00 C ATOM 421 CG ASN A 155 -9.630 2.120 9.199 1.00 0.00 C ATOM 422 OD1 ASN A 155 -8.886 2.251 10.171 1.00 0.00 O ATOM 423 ND2 ASN A 155 -10.915 2.456 9.229 1.00 0.00 N ATOM 0 H ASN A 155 -7.554 0.062 6.284 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.634 -0.200 9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.215 2.107 7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -9.853 1.716 7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -11.322 2.840 10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -11.495 2.330 8.399 1.00 0.00 H new ATOM 430 N PRO A 156 -10.123 -1.990 7.945 1.00 0.00 N ATOM 431 CA PRO A 156 -11.200 -2.879 7.499 1.00 0.00 C ATOM 432 C PRO A 156 -12.576 -2.398 7.955 1.00 0.00 C ATOM 433 O PRO A 156 -13.586 -2.681 7.313 1.00 0.00 O ATOM 434 CB PRO A 156 -10.857 -4.214 8.161 1.00 0.00 C ATOM 435 CG PRO A 156 -10.065 -3.845 9.367 1.00 0.00 C ATOM 436 CD PRO A 156 -9.292 -2.611 8.994 1.00 0.00 C ATOM 0 HA PRO A 156 -11.261 -2.930 6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.758 -4.765 8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.283 -4.853 7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -10.718 -3.654 10.219 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.393 -4.654 9.655 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.160 -1.946 9.848 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.296 -2.857 8.625 1.00 0.00 H new ATOM 444 N GLU A 157 -12.605 -1.670 9.067 1.00 0.00 N ATOM 445 CA GLU A 157 -13.857 -1.152 9.607 1.00 0.00 C ATOM 446 C GLU A 157 -14.544 -0.232 8.604 1.00 0.00 C ATOM 447 O GLU A 157 -15.727 -0.396 8.305 1.00 0.00 O ATOM 448 CB GLU A 157 -13.601 -0.400 10.915 1.00 0.00 C ATOM 449 CG GLU A 157 -14.700 -0.587 11.948 1.00 0.00 C ATOM 450 CD GLU A 157 -14.808 0.586 12.902 1.00 0.00 C ATOM 451 OE1 GLU A 157 -14.442 1.711 12.504 1.00 0.00 O ATOM 452 OE2 GLU A 157 -15.262 0.380 14.048 1.00 0.00 O ATOM 0 H GLU A 157 -11.777 -1.426 9.611 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.515 -1.998 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -12.654 -0.736 11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -13.494 0.663 10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.653 -0.725 11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -14.508 -1.497 12.517 1.00 0.00 H new ATOM 459 N ARG A 158 -13.797 0.738 8.087 1.00 0.00 N ATOM 460 CA ARG A 158 -14.337 1.685 7.117 1.00 0.00 C ATOM 461 C ARG A 158 -13.990 1.263 5.694 1.00 0.00 C ATOM 462 O ARG A 158 -14.868 0.898 4.912 1.00 0.00 O ATOM 463 CB ARG A 158 -13.803 3.092 7.391 1.00 0.00 C ATOM 464 CG ARG A 158 -14.761 4.196 6.973 1.00 0.00 C ATOM 465 CD ARG A 158 -14.219 5.570 7.333 1.00 0.00 C ATOM 466 NE ARG A 158 -15.273 6.474 7.786 1.00 0.00 N ATOM 467 CZ ARG A 158 -15.950 6.315 8.921 1.00 0.00 C ATOM 468 NH1 ARG A 158 -15.686 5.287 9.720 1.00 0.00 N ATOM 469 NH2 ARG A 158 -16.892 7.186 9.258 1.00 0.00 N ATOM 0 H ARG A 158 -12.816 0.889 8.323 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.422 1.692 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -13.590 3.190 8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -12.858 3.223 6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -14.933 4.142 5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -15.725 4.045 7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -13.467 5.469 8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -13.720 6.001 6.465 1.00 0.00 H new ATOM 0 HE ARG A 158 -15.504 7.275 7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -14.962 4.615 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -16.207 5.169 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -17.097 7.977 8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -17.411 7.065 10.128 1.00 0.00 H new ATOM 483 N GLY A 159 -12.703 1.315 5.362 1.00 0.00 N ATOM 484 CA GLY A 159 -12.266 0.935 4.032 1.00 0.00 C ATOM 485 C GLY A 159 -11.160 1.832 3.508 1.00 0.00 C ATOM 486 O GLY A 159 -11.265 2.379 2.410 1.00 0.00 O ATOM 0 H GLY A 159 -11.957 1.613 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.916 -0.097 4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.115 0.973 3.349 1.00 0.00 H new ATOM 490 N LYS A 160 -10.098 1.981 4.292 1.00 0.00 N ATOM 491 CA LYS A 160 -8.968 2.815 3.900 1.00 0.00 C ATOM 492 C LYS A 160 -7.652 2.070 4.093 1.00 0.00 C ATOM 493 O LYS A 160 -7.635 0.928 4.552 1.00 0.00 O ATOM 494 CB LYS A 160 -8.958 4.111 4.713 1.00 0.00 C ATOM 495 CG LYS A 160 -10.271 4.876 4.658 1.00 0.00 C ATOM 496 CD LYS A 160 -10.298 6.008 5.672 1.00 0.00 C ATOM 497 CE LYS A 160 -10.964 7.250 5.103 1.00 0.00 C ATOM 498 NZ LYS A 160 -12.247 6.928 4.419 1.00 0.00 N ATOM 0 H LYS A 160 -9.996 1.535 5.203 1.00 0.00 H new ATOM 0 HA LYS A 160 -9.076 3.059 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -8.728 3.876 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.157 4.754 4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.416 5.280 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.099 4.194 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -10.832 5.685 6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.280 6.248 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.150 7.963 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -10.288 7.734 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -12.104 6.941 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -12.569 5.983 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -12.965 7.634 4.678 1.00 0.00 H new ATOM 512 N VAL A 161 -6.550 2.725 3.743 1.00 0.00 N ATOM 513 CA VAL A 161 -5.229 2.124 3.881 1.00 0.00 C ATOM 514 C VAL A 161 -4.184 3.174 4.239 1.00 0.00 C ATOM 515 O VAL A 161 -4.005 4.156 3.519 1.00 0.00 O ATOM 516 CB VAL A 161 -4.797 1.406 2.587 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.733 0.246 2.282 1.00 0.00 C ATOM 518 CG2 VAL A 161 -4.749 2.383 1.422 1.00 0.00 C ATOM 0 H VAL A 161 -6.546 3.671 3.362 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.298 1.392 4.686 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.794 1.005 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -5.412 -0.249 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.710 -0.467 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.748 0.621 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.442 1.857 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -5.737 2.818 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.033 3.176 1.641 1.00 0.00 H new ATOM 528 N LYS A 162 -3.495 2.959 5.356 1.00 0.00 N ATOM 529 CA LYS A 162 -2.467 3.888 5.807 1.00 0.00 C ATOM 530 C LYS A 162 -1.168 3.664 5.042 1.00 0.00 C ATOM 531 O LYS A 162 -0.559 2.598 5.133 1.00 0.00 O ATOM 532 CB LYS A 162 -2.227 3.726 7.308 1.00 0.00 C ATOM 533 CG LYS A 162 -1.304 4.783 7.891 1.00 0.00 C ATOM 534 CD LYS A 162 -0.967 4.487 9.343 1.00 0.00 C ATOM 535 CE LYS A 162 -0.512 5.739 10.077 1.00 0.00 C ATOM 536 NZ LYS A 162 0.025 5.425 11.430 1.00 0.00 N ATOM 0 H LYS A 162 -3.630 2.151 5.964 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.813 4.903 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.185 3.764 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.802 2.740 7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.386 4.829 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.778 5.762 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.841 4.069 9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -0.182 3.732 9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 162 0.255 6.245 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -1.350 6.430 10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 0.324 6.305 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -0.714 4.965 11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 0.841 4.786 11.340 1.00 0.00 H new ATOM 550 N VAL A 163 -0.751 4.673 4.285 1.00 0.00 N ATOM 551 CA VAL A 163 0.475 4.581 3.500 1.00 0.00 C ATOM 552 C VAL A 163 1.428 5.723 3.837 1.00 0.00 C ATOM 553 O VAL A 163 0.997 6.815 4.206 1.00 0.00 O ATOM 554 CB VAL A 163 0.177 4.602 1.988 1.00 0.00 C ATOM 555 CG1 VAL A 163 1.365 4.072 1.204 1.00 0.00 C ATOM 556 CG2 VAL A 163 -1.076 3.797 1.672 1.00 0.00 C ATOM 0 H VAL A 163 -1.243 5.562 4.198 1.00 0.00 H new ATOM 0 HA VAL A 163 0.945 3.631 3.755 1.00 0.00 H new ATOM 0 HB VAL A 163 0.000 5.635 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 163 1.137 4.094 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 163 2.238 4.694 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.574 3.047 1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -1.266 3.826 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.933 2.763 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -1.927 4.224 2.203 1.00 0.00 H new ATOM 566 N MET A 164 2.726 5.464 3.707 1.00 0.00 N ATOM 567 CA MET A 164 3.739 6.471 3.999 1.00 0.00 C ATOM 568 C MET A 164 4.315 7.058 2.712 1.00 0.00 C ATOM 569 O MET A 164 4.941 6.352 1.921 1.00 0.00 O ATOM 570 CB MET A 164 4.857 5.868 4.857 1.00 0.00 C ATOM 571 CG MET A 164 5.808 4.963 4.090 1.00 0.00 C ATOM 572 SD MET A 164 6.911 4.036 5.175 1.00 0.00 S ATOM 573 CE MET A 164 8.465 4.201 4.301 1.00 0.00 C ATOM 0 H MET A 164 3.100 4.566 3.401 1.00 0.00 H new ATOM 0 HA MET A 164 3.264 7.278 4.556 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.429 6.677 5.311 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.409 5.299 5.672 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.230 4.265 3.484 1.00 0.00 H new ATOM 0 HG3 MET A 164 6.402 5.566 3.403 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.111 3.358 4.546 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.279 4.216 3.227 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.952 5.130 4.597 1.00 0.00 H new ATOM 583 N VAL A 165 4.103 8.354 2.509 1.00 0.00 N ATOM 584 CA VAL A 165 4.601 9.034 1.318 1.00 0.00 C ATOM 585 C VAL A 165 5.679 10.050 1.678 1.00 0.00 C ATOM 586 O VAL A 165 5.557 10.779 2.662 1.00 0.00 O ATOM 587 CB VAL A 165 3.469 9.751 0.558 1.00 0.00 C ATOM 588 CG1 VAL A 165 2.655 8.754 -0.251 1.00 0.00 C ATOM 589 CG2 VAL A 165 2.580 10.521 1.522 1.00 0.00 C ATOM 0 H VAL A 165 3.590 8.955 3.154 1.00 0.00 H new ATOM 0 HA VAL A 165 5.027 8.266 0.673 1.00 0.00 H new ATOM 0 HB VAL A 165 3.916 10.465 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 165 1.860 9.278 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.303 8.254 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.217 8.013 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 165 1.787 11.020 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 165 2.140 9.831 2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 165 3.176 11.265 2.051 1.00 0.00 H new ATOM 599 N THR A 166 6.734 10.095 0.871 1.00 0.00 N ATOM 600 CA THR A 166 7.835 11.022 1.101 1.00 0.00 C ATOM 601 C THR A 166 7.684 12.270 0.236 1.00 0.00 C ATOM 602 O THR A 166 7.402 12.179 -0.959 1.00 0.00 O ATOM 603 CB THR A 166 9.173 10.342 0.804 1.00 0.00 C ATOM 604 OG1 THR A 166 9.097 8.952 1.069 1.00 0.00 O ATOM 605 CG2 THR A 166 10.323 10.901 1.611 1.00 0.00 C ATOM 0 H THR A 166 6.849 9.499 0.051 1.00 0.00 H new ATOM 0 HA THR A 166 7.812 11.321 2.149 1.00 0.00 H new ATOM 0 HB THR A 166 9.366 10.534 -0.251 1.00 0.00 H new ATOM 0 HG1 THR A 166 9.387 8.778 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.241 10.373 1.351 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.440 11.962 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.119 10.771 2.674 1.00 0.00 H new ATOM 613 N ILE A 167 7.873 13.435 0.847 1.00 0.00 N ATOM 614 CA ILE A 167 7.758 14.700 0.131 1.00 0.00 C ATOM 615 C ILE A 167 8.934 15.621 0.454 1.00 0.00 C ATOM 616 O ILE A 167 9.133 16.015 1.603 1.00 0.00 O ATOM 617 CB ILE A 167 6.425 15.411 0.462 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.136 16.519 -0.556 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.439 15.965 1.882 1.00 0.00 C ATOM 620 CD1 ILE A 167 7.045 17.723 -0.431 1.00 0.00 C ATOM 0 H ILE A 167 8.106 13.529 1.835 1.00 0.00 H new ATOM 0 HA ILE A 167 7.774 14.473 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 167 5.624 14.675 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 167 6.230 16.108 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 167 5.102 16.844 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 167 5.490 16.460 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 167 6.584 15.149 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 167 7.253 16.683 1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 167 6.776 18.462 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 167 6.934 18.161 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 167 8.080 17.414 -0.578 1.00 0.00 H new ATOM 632 N PHE A 168 9.715 15.956 -0.569 1.00 0.00 N ATOM 633 CA PHE A 168 10.875 16.824 -0.395 1.00 0.00 C ATOM 634 C PHE A 168 11.907 16.178 0.525 1.00 0.00 C ATOM 635 O PHE A 168 12.641 16.868 1.234 1.00 0.00 O ATOM 636 CB PHE A 168 10.446 18.181 0.171 1.00 0.00 C ATOM 637 CG PHE A 168 10.912 19.348 -0.651 1.00 0.00 C ATOM 638 CD1 PHE A 168 12.176 19.885 -0.466 1.00 0.00 C ATOM 639 CD2 PHE A 168 10.082 19.911 -1.610 1.00 0.00 C ATOM 640 CE1 PHE A 168 12.604 20.959 -1.221 1.00 0.00 C ATOM 641 CE2 PHE A 168 10.507 20.987 -2.367 1.00 0.00 C ATOM 642 CZ PHE A 168 11.770 21.511 -2.173 1.00 0.00 C ATOM 0 H PHE A 168 9.566 15.639 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 168 11.332 16.975 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 168 9.359 18.208 0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 168 10.835 18.282 1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 168 12.834 19.459 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 168 9.094 19.504 -1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 168 13.592 21.368 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 168 9.852 21.418 -3.110 1.00 0.00 H new ATOM 0 HZ PHE A 168 12.105 22.350 -2.764 1.00 0.00 H new ATOM 652 N GLY A 169 11.957 14.849 0.509 1.00 0.00 N ATOM 653 CA GLY A 169 12.902 14.133 1.347 1.00 0.00 C ATOM 654 C GLY A 169 12.463 14.074 2.796 1.00 0.00 C ATOM 655 O GLY A 169 13.263 14.306 3.703 1.00 0.00 O ATOM 0 H GLY A 169 11.361 14.256 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.025 13.119 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 169 13.877 14.617 1.285 1.00 0.00 H new ATOM 659 N ARG A 170 11.189 13.767 3.014 1.00 0.00 N ATOM 660 CA ARG A 170 10.645 13.680 4.365 1.00 0.00 C ATOM 661 C ARG A 170 9.387 12.816 4.390 1.00 0.00 C ATOM 662 O ARG A 170 8.460 13.029 3.609 1.00 0.00 O ATOM 663 CB ARG A 170 10.329 15.078 4.900 1.00 0.00 C ATOM 664 CG ARG A 170 10.660 15.256 6.372 1.00 0.00 C ATOM 665 CD ARG A 170 9.432 15.056 7.247 1.00 0.00 C ATOM 666 NE ARG A 170 9.488 15.867 8.461 1.00 0.00 N ATOM 667 CZ ARG A 170 10.311 15.623 9.478 1.00 0.00 C ATOM 668 NH1 ARG A 170 11.150 14.596 9.431 1.00 0.00 N ATOM 669 NH2 ARG A 170 10.296 16.412 10.544 1.00 0.00 N ATOM 0 H ARG A 170 10.514 13.574 2.274 1.00 0.00 H new ATOM 0 HA ARG A 170 11.396 13.215 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 170 10.885 15.814 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.270 15.286 4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 170 11.434 14.545 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.067 16.254 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 170 8.537 15.313 6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 170 9.347 14.004 7.517 1.00 0.00 H new ATOM 0 HE ARG A 170 8.859 16.667 8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 170 11.167 13.988 8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 170 11.778 14.414 10.214 1.00 0.00 H new ATOM 0 HH21 ARG A 170 9.654 17.204 10.583 1.00 0.00 H new ATOM 0 HH22 ARG A 170 10.926 16.227 11.325 1.00 0.00 H new ATOM 683 N GLU A 171 9.363 11.842 5.293 1.00 0.00 N ATOM 684 CA GLU A 171 8.218 10.946 5.420 1.00 0.00 C ATOM 685 C GLU A 171 6.950 11.729 5.748 1.00 0.00 C ATOM 686 O GLU A 171 6.991 12.722 6.473 1.00 0.00 O ATOM 687 CB GLU A 171 8.481 9.898 6.504 1.00 0.00 C ATOM 688 CG GLU A 171 8.930 8.553 5.953 1.00 0.00 C ATOM 689 CD GLU A 171 10.149 8.669 5.058 1.00 0.00 C ATOM 690 OE1 GLU A 171 11.235 9.001 5.575 1.00 0.00 O ATOM 691 OE2 GLU A 171 10.017 8.426 3.840 1.00 0.00 O ATOM 0 H GLU A 171 10.122 11.652 5.947 1.00 0.00 H new ATOM 0 HA GLU A 171 8.075 10.441 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 171 9.244 10.275 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 171 7.572 9.757 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.154 7.881 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 171 8.112 8.103 5.391 1.00 0.00 H new ATOM 698 N THR A 172 5.825 11.275 5.206 1.00 0.00 N ATOM 699 CA THR A 172 4.545 11.933 5.440 1.00 0.00 C ATOM 700 C THR A 172 3.414 10.911 5.528 1.00 0.00 C ATOM 701 O THR A 172 2.715 10.660 4.547 1.00 0.00 O ATOM 702 CB THR A 172 4.254 12.937 4.323 1.00 0.00 C ATOM 703 OG1 THR A 172 5.364 13.792 4.116 1.00 0.00 O ATOM 704 CG2 THR A 172 3.049 13.810 4.600 1.00 0.00 C ATOM 0 H THR A 172 5.774 10.455 4.602 1.00 0.00 H new ATOM 0 HA THR A 172 4.606 12.463 6.391 1.00 0.00 H new ATOM 0 HB THR A 172 4.049 12.333 3.439 1.00 0.00 H new ATOM 0 HG1 THR A 172 5.062 14.724 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 172 2.900 14.499 3.768 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.165 13.183 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 172 3.214 14.378 5.516 1.00 0.00 H new ATOM 712 N PRO A 173 3.220 10.304 6.712 1.00 0.00 N ATOM 713 CA PRO A 173 2.167 9.305 6.924 1.00 0.00 C ATOM 714 C PRO A 173 0.783 9.840 6.575 1.00 0.00 C ATOM 715 O PRO A 173 0.091 10.400 7.426 1.00 0.00 O ATOM 716 CB PRO A 173 2.257 8.996 8.423 1.00 0.00 C ATOM 717 CG PRO A 173 3.643 9.380 8.812 1.00 0.00 C ATOM 718 CD PRO A 173 4.008 10.544 7.935 1.00 0.00 C ATOM 0 HA PRO A 173 2.305 8.431 6.288 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.517 9.563 8.988 1.00 0.00 H new ATOM 0 HB3 PRO A 173 2.069 7.941 8.621 1.00 0.00 H new ATOM 0 HG2 PRO A 173 3.691 9.654 9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 173 4.334 8.550 8.667 1.00 0.00 H new ATOM 0 HD2 PRO A 173 3.750 11.495 8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.077 10.571 7.726 1.00 0.00 H new ATOM 726 N VAL A 174 0.383 9.663 5.321 1.00 0.00 N ATOM 727 CA VAL A 174 -0.920 10.127 4.860 1.00 0.00 C ATOM 728 C VAL A 174 -1.860 8.955 4.603 1.00 0.00 C ATOM 729 O VAL A 174 -1.488 7.978 3.951 1.00 0.00 O ATOM 730 CB VAL A 174 -0.798 10.962 3.570 1.00 0.00 C ATOM 731 CG1 VAL A 174 -2.142 11.575 3.203 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.263 12.041 3.725 1.00 0.00 C ATOM 0 H VAL A 174 0.943 9.201 4.605 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.329 10.754 5.652 1.00 0.00 H new ATOM 0 HB VAL A 174 -0.491 10.300 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -2.037 12.161 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.872 10.782 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -2.480 12.222 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.332 12.618 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 174 -0.008 12.703 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 174 1.226 11.576 3.936 1.00 0.00 H new ATOM 742 N GLU A 175 -3.084 9.059 5.112 1.00 0.00 N ATOM 743 CA GLU A 175 -4.078 8.009 4.928 1.00 0.00 C ATOM 744 C GLU A 175 -4.712 8.118 3.546 1.00 0.00 C ATOM 745 O GLU A 175 -5.213 9.175 3.165 1.00 0.00 O ATOM 746 CB GLU A 175 -5.154 8.095 6.011 1.00 0.00 C ATOM 747 CG GLU A 175 -5.721 9.494 6.199 1.00 0.00 C ATOM 748 CD GLU A 175 -5.173 10.184 7.433 1.00 0.00 C ATOM 749 OE1 GLU A 175 -5.538 9.772 8.555 1.00 0.00 O ATOM 750 OE2 GLU A 175 -4.379 11.135 7.279 1.00 0.00 O ATOM 0 H GLU A 175 -3.410 9.859 5.654 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.580 7.043 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.967 7.414 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.734 7.753 6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -5.493 10.096 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.807 9.435 6.272 1.00 0.00 H new ATOM 757 N LEU A 176 -4.675 7.024 2.794 1.00 0.00 N ATOM 758 CA LEU A 176 -5.235 7.005 1.446 1.00 0.00 C ATOM 759 C LEU A 176 -6.074 5.763 1.211 1.00 0.00 C ATOM 760 O LEU A 176 -6.490 5.083 2.149 1.00 0.00 O ATOM 761 CB LEU A 176 -4.118 7.028 0.398 1.00 0.00 C ATOM 762 CG LEU A 176 -2.735 7.443 0.907 1.00 0.00 C ATOM 763 CD1 LEU A 176 -1.654 7.012 -0.071 1.00 0.00 C ATOM 764 CD2 LEU A 176 -2.683 8.946 1.135 1.00 0.00 C ATOM 0 H LEU A 176 -4.264 6.140 3.093 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.862 7.891 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -4.039 6.034 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.410 7.709 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.553 6.944 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.678 7.316 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.678 5.928 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -1.830 7.483 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -1.693 9.225 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -2.886 9.463 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -3.432 9.228 1.875 1.00 0.00 H new ATOM 776 N ASP A 177 -6.285 5.462 -0.065 1.00 0.00 N ATOM 777 CA ASP A 177 -7.032 4.293 -0.463 1.00 0.00 C ATOM 778 C ASP A 177 -6.551 3.808 -1.823 1.00 0.00 C ATOM 779 O ASP A 177 -5.982 4.573 -2.599 1.00 0.00 O ATOM 780 CB ASP A 177 -8.535 4.589 -0.503 1.00 0.00 C ATOM 781 CG ASP A 177 -8.998 5.418 0.679 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.749 6.642 0.680 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.610 4.843 1.604 1.00 0.00 O ATOM 0 H ASP A 177 -5.941 6.024 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 177 -6.863 3.509 0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.773 5.116 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.086 3.649 -0.521 1.00 0.00 H new ATOM 788 N PHE A 178 -6.772 2.534 -2.097 1.00 0.00 N ATOM 789 CA PHE A 178 -6.355 1.928 -3.362 1.00 0.00 C ATOM 790 C PHE A 178 -6.742 2.798 -4.557 1.00 0.00 C ATOM 791 O PHE A 178 -6.085 2.765 -5.599 1.00 0.00 O ATOM 792 CB PHE A 178 -6.975 0.539 -3.514 1.00 0.00 C ATOM 793 CG PHE A 178 -6.853 -0.314 -2.282 1.00 0.00 C ATOM 794 CD1 PHE A 178 -5.615 -0.532 -1.695 1.00 0.00 C ATOM 795 CD2 PHE A 178 -7.972 -0.894 -1.710 1.00 0.00 C ATOM 796 CE1 PHE A 178 -5.500 -1.314 -0.563 1.00 0.00 C ATOM 797 CE2 PHE A 178 -7.863 -1.677 -0.577 1.00 0.00 C ATOM 798 CZ PHE A 178 -6.625 -1.887 -0.003 1.00 0.00 C ATOM 0 H PHE A 178 -7.241 1.891 -1.459 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.269 1.842 -3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.030 0.647 -3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -6.497 0.027 -4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -4.732 -0.085 -2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -8.943 -0.732 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -4.531 -1.478 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -8.744 -2.124 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 178 -6.536 -2.499 0.883 1.00 0.00 H new ATOM 808 N SER A 179 -7.811 3.575 -4.406 1.00 0.00 N ATOM 809 CA SER A 179 -8.284 4.448 -5.480 1.00 0.00 C ATOM 810 C SER A 179 -7.447 5.726 -5.581 1.00 0.00 C ATOM 811 O SER A 179 -7.703 6.574 -6.434 1.00 0.00 O ATOM 812 CB SER A 179 -9.753 4.806 -5.259 1.00 0.00 C ATOM 813 OG SER A 179 -10.469 4.803 -6.483 1.00 0.00 O ATOM 0 H SER A 179 -8.367 3.619 -3.552 1.00 0.00 H new ATOM 0 HA SER A 179 -8.179 3.903 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.204 4.093 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 179 -9.825 5.789 -4.794 1.00 0.00 H new ATOM 0 HG SER A 179 -11.406 5.034 -6.314 1.00 0.00 H new ATOM 819 N GLN A 180 -6.449 5.862 -4.709 1.00 0.00 N ATOM 820 CA GLN A 180 -5.586 7.042 -4.712 1.00 0.00 C ATOM 821 C GLN A 180 -4.129 6.667 -4.984 1.00 0.00 C ATOM 822 O GLN A 180 -3.256 7.537 -5.023 1.00 0.00 O ATOM 823 CB GLN A 180 -5.693 7.776 -3.374 1.00 0.00 C ATOM 824 CG GLN A 180 -7.104 8.229 -3.038 1.00 0.00 C ATOM 825 CD GLN A 180 -7.176 8.988 -1.728 1.00 0.00 C ATOM 826 OE1 GLN A 180 -6.870 8.445 -0.665 1.00 0.00 O ATOM 827 NE2 GLN A 180 -7.579 10.251 -1.796 1.00 0.00 N ATOM 0 H GLN A 180 -6.219 5.172 -3.994 1.00 0.00 H new ATOM 0 HA GLN A 180 -5.922 7.699 -5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -5.332 7.121 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.036 8.646 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.479 8.862 -3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.758 7.359 -2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -7.823 10.661 -2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -7.645 10.812 -0.947 1.00 0.00 H new ATOM 836 N VAL A 181 -3.866 5.376 -5.174 1.00 0.00 N ATOM 837 CA VAL A 181 -2.513 4.906 -5.442 1.00 0.00 C ATOM 838 C VAL A 181 -2.523 3.726 -6.408 1.00 0.00 C ATOM 839 O VAL A 181 -3.519 3.013 -6.523 1.00 0.00 O ATOM 840 CB VAL A 181 -1.796 4.488 -4.145 1.00 0.00 C ATOM 841 CG1 VAL A 181 -1.381 5.713 -3.344 1.00 0.00 C ATOM 842 CG2 VAL A 181 -2.683 3.575 -3.314 1.00 0.00 C ATOM 0 H VAL A 181 -4.572 4.640 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 181 -1.973 5.738 -5.894 1.00 0.00 H new ATOM 0 HB VAL A 181 -0.895 3.936 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -0.876 5.397 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -0.704 6.325 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.265 6.296 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.159 3.290 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -3.603 4.099 -3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.924 2.680 -3.888 1.00 0.00 H new ATOM 852 N VAL A 182 -1.406 3.527 -7.103 1.00 0.00 N ATOM 853 CA VAL A 182 -1.288 2.434 -8.062 1.00 0.00 C ATOM 854 C VAL A 182 -0.060 1.577 -7.772 1.00 0.00 C ATOM 855 O VAL A 182 0.967 2.079 -7.314 1.00 0.00 O ATOM 856 CB VAL A 182 -1.199 2.961 -9.507 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.495 3.653 -9.903 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.015 3.902 -9.661 1.00 0.00 C ATOM 0 H VAL A 182 -0.571 4.108 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.186 1.826 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.048 2.113 -10.175 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.414 4.019 -10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.321 2.945 -9.835 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.680 4.492 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.031 4.264 -10.688 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.132 4.748 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.906 3.370 -9.422 1.00 0.00 H new ATOM 868 N LYS A 183 -0.174 0.280 -8.040 1.00 0.00 N ATOM 869 CA LYS A 183 0.926 -0.648 -7.809 1.00 0.00 C ATOM 870 C LYS A 183 2.110 -0.330 -8.718 1.00 0.00 C ATOM 871 O LYS A 183 1.955 -0.198 -9.932 1.00 0.00 O ATOM 872 CB LYS A 183 0.462 -2.089 -8.040 1.00 0.00 C ATOM 873 CG LYS A 183 0.927 -3.057 -6.964 1.00 0.00 C ATOM 874 CD LYS A 183 2.020 -3.981 -7.478 1.00 0.00 C ATOM 875 CE LYS A 183 2.903 -4.483 -6.348 1.00 0.00 C ATOM 876 NZ LYS A 183 2.312 -5.668 -5.666 1.00 0.00 N ATOM 0 H LYS A 183 -1.018 -0.152 -8.417 1.00 0.00 H new ATOM 0 HA LYS A 183 1.249 -0.538 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.627 -2.108 -8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.830 -2.430 -9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.297 -2.497 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.081 -3.650 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.568 -4.829 -7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 183 2.630 -3.452 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.885 -4.744 -6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.053 -3.684 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 2.567 -5.651 -4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 1.277 -5.643 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 2.679 -6.538 -6.101 1.00 0.00 H new ATOM 890 N ALA A 184 3.292 -0.207 -8.122 1.00 0.00 N ATOM 891 CA ALA A 184 4.501 0.095 -8.876 1.00 0.00 C ATOM 892 C ALA A 184 5.440 -1.105 -8.913 1.00 0.00 C ATOM 893 O ALA A 184 5.349 -1.899 -9.873 1.00 0.00 O ATOM 894 CB ALA A 184 5.207 1.303 -8.278 1.00 0.00 C ATOM 895 OXT ALA A 184 6.261 -1.241 -7.981 1.00 0.00 O ATOM 0 H ALA A 184 3.437 -0.312 -7.118 1.00 0.00 H new ATOM 0 HA ALA A 184 4.212 0.327 -9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 184 6.109 1.518 -8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.542 2.166 -8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.476 1.092 -7.243 1.00 0.00 H new TER 901 ALA A 184