USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 139 HIS :FLIP no HD1:sc= 0.061 F(o=-3.6,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.48 F(o=-3.2!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 145 GLN : amide:sc= -8.72! C(o=-8.7!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.415 K(o=0.42,f=-0.76) USER MOD Single : A 149 TYR OH : rot -95:sc= 0.0273 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.5! C(o=-8.5!,f=-10!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.078 X(o=-0.078,f=-0.056) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 156:sc= -0.0791 (180deg=-0.681) USER MOD Single : A 165 SER OG : rot 180:sc= -0.422! USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 158:sc= -0.147 (180deg=-0.984) USER MOD Single : A 171 MET CE :methyl 162:sc= -1.04 (180deg=-1.6!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00659 (180deg=-0.0723) USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 197 ASN : amide:sc= -0.0921 K(o=-0.092,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 17.729 0.537 4.729 1.00 0.00 N ATOM 2 CA GLU A 133 18.553 -0.120 3.674 1.00 0.00 C ATOM 3 C GLU A 133 17.642 -0.911 2.740 1.00 0.00 C ATOM 4 O GLU A 133 17.250 -0.425 1.681 1.00 0.00 O ATOM 5 CB GLU A 133 19.567 -1.058 4.332 1.00 0.00 C ATOM 6 CG GLU A 133 20.583 -0.234 5.127 1.00 0.00 C ATOM 7 CD GLU A 133 19.909 0.394 6.341 1.00 0.00 C ATOM 8 OE1 GLU A 133 19.009 -0.226 6.882 1.00 0.00 O ATOM 9 OE2 GLU A 133 20.303 1.489 6.711 1.00 0.00 O ATOM 0 HA GLU A 133 19.086 0.637 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 133 19.055 -1.759 4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 133 20.077 -1.650 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 133 21.408 -0.870 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 133 21.008 0.545 4.493 1.00 0.00 H new ATOM 18 N ALA A 134 17.309 -2.132 3.143 1.00 0.00 N ATOM 19 CA ALA A 134 16.443 -2.984 2.335 1.00 0.00 C ATOM 20 C ALA A 134 15.026 -2.420 2.293 1.00 0.00 C ATOM 21 O ALA A 134 14.712 -1.454 2.987 1.00 0.00 O ATOM 22 CB ALA A 134 16.414 -4.400 2.913 1.00 0.00 C ATOM 0 H ALA A 134 17.623 -2.552 4.018 1.00 0.00 H new ATOM 0 HA ALA A 134 16.840 -3.015 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.765 -5.029 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.423 -4.813 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.034 -4.369 3.934 1.00 0.00 H new ATOM 28 N CYS A 135 14.176 -3.033 1.474 1.00 0.00 N ATOM 29 CA CYS A 135 12.794 -2.584 1.352 1.00 0.00 C ATOM 30 C CYS A 135 12.109 -2.582 2.713 1.00 0.00 C ATOM 31 O CYS A 135 12.498 -3.327 3.614 1.00 0.00 O ATOM 32 CB CYS A 135 12.039 -3.497 0.382 1.00 0.00 C ATOM 33 SG CYS A 135 12.643 -3.205 -1.302 1.00 0.00 S ATOM 0 H CYS A 135 14.417 -3.834 0.891 1.00 0.00 H new ATOM 0 HA CYS A 135 12.788 -1.565 0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.185 -4.541 0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.968 -3.300 0.437 1.00 0.00 H new ATOM 38 N GLN A 136 11.092 -1.733 2.862 1.00 0.00 N ATOM 39 CA GLN A 136 10.352 -1.624 4.124 1.00 0.00 C ATOM 40 C GLN A 136 8.880 -1.941 3.900 1.00 0.00 C ATOM 41 O GLN A 136 8.375 -1.814 2.787 1.00 0.00 O ATOM 42 CB GLN A 136 10.490 -0.208 4.686 1.00 0.00 C ATOM 43 CG GLN A 136 11.934 0.027 5.132 1.00 0.00 C ATOM 44 CD GLN A 136 12.101 1.461 5.623 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.403 1.888 6.543 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.989 2.234 5.061 1.00 0.00 N ATOM 0 H GLN A 136 10.760 -1.110 2.126 1.00 0.00 H new ATOM 0 HA GLN A 136 10.766 -2.339 4.835 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.209 0.524 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.812 -0.072 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.196 -0.671 5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.615 -0.164 4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.566 1.878 4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.106 3.195 5.384 1.00 0.00 H new ATOM 55 N PHE A 137 8.195 -2.361 4.963 1.00 0.00 N ATOM 56 CA PHE A 137 6.772 -2.704 4.873 1.00 0.00 C ATOM 57 C PHE A 137 5.923 -1.698 5.650 1.00 0.00 C ATOM 58 O PHE A 137 6.274 -1.297 6.761 1.00 0.00 O ATOM 59 CB PHE A 137 6.548 -4.118 5.428 1.00 0.00 C ATOM 60 CG PHE A 137 5.064 -4.402 5.557 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.226 -4.283 4.441 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.525 -4.778 6.796 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.859 -4.540 4.560 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.154 -5.036 6.914 1.00 0.00 C ATOM 65 CZ PHE A 137 2.321 -4.917 5.796 1.00 0.00 C ATOM 0 H PHE A 137 8.598 -2.472 5.893 1.00 0.00 H new ATOM 0 HA PHE A 137 6.470 -2.672 3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.010 -4.853 4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.030 -4.215 6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.638 -3.992 3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.168 -4.869 7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.216 -4.448 3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.739 -5.327 7.868 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.263 -5.116 5.887 1.00 0.00 H new ATOM 75 N SER A 138 4.801 -1.298 5.053 1.00 0.00 N ATOM 76 CA SER A 138 3.892 -0.342 5.684 1.00 0.00 C ATOM 77 C SER A 138 2.452 -0.623 5.259 1.00 0.00 C ATOM 78 O SER A 138 2.178 -0.878 4.086 1.00 0.00 O ATOM 79 CB SER A 138 4.277 1.081 5.282 1.00 0.00 C ATOM 80 OG SER A 138 3.671 2.002 6.179 1.00 0.00 O ATOM 0 H SER A 138 4.500 -1.621 4.134 1.00 0.00 H new ATOM 0 HA SER A 138 3.969 -0.446 6.766 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.361 1.196 5.301 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.953 1.283 4.261 1.00 0.00 H new ATOM 0 HG SER A 138 3.917 2.916 5.925 1.00 0.00 H new ATOM 86 N HIS A 139 1.531 -0.580 6.224 1.00 0.00 N ATOM 87 CA HIS A 139 0.112 -0.836 5.952 1.00 0.00 C ATOM 88 C HIS A 139 -0.768 0.229 6.604 1.00 0.00 C ATOM 89 O HIS A 139 -0.342 0.926 7.524 1.00 0.00 O ATOM 90 CB HIS A 139 -0.285 -2.217 6.478 1.00 0.00 C ATOM 91 CG HIS A 139 -0.220 -2.225 7.981 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.131 -1.852 8.936 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.898 -2.658 8.673 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.590 -2.050 10.203 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.635 -2.537 9.987 1.00 0.00 N flip ATOM 0 H HIS A 139 1.740 -0.371 7.200 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.037 -0.801 4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.293 -2.467 6.147 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.382 -2.977 6.071 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.815 -3.026 8.237 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.059 -1.852 11.155 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.291 -2.787 10.727 1.00 0.00 H new ATOM 104 N VAL A 140 -2.001 0.344 6.111 1.00 0.00 N ATOM 105 CA VAL A 140 -2.958 1.324 6.633 1.00 0.00 C ATOM 106 C VAL A 140 -4.329 0.668 6.808 1.00 0.00 C ATOM 107 O VAL A 140 -4.956 0.263 5.831 1.00 0.00 O ATOM 108 CB VAL A 140 -3.056 2.503 5.653 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.240 3.405 6.018 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.766 3.322 5.721 1.00 0.00 C ATOM 0 H VAL A 140 -2.363 -0.230 5.349 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.619 1.688 7.603 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.203 2.113 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.295 4.235 5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.164 2.829 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.104 3.793 7.027 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.830 4.160 5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.628 3.699 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.920 2.691 5.450 1.00 0.00 H new ATOM 120 N ASN A 141 -4.788 0.559 8.058 1.00 0.00 N ATOM 121 CA ASN A 141 -6.086 -0.064 8.334 1.00 0.00 C ATOM 122 C ASN A 141 -6.741 0.538 9.580 1.00 0.00 C ATOM 123 O ASN A 141 -6.148 0.551 10.660 1.00 0.00 O ATOM 124 CB ASN A 141 -5.901 -1.574 8.535 1.00 0.00 C ATOM 125 CG ASN A 141 -5.231 -1.859 9.878 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.947 -1.836 10.968 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.029 -2.110 9.933 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.289 0.889 8.884 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.738 0.123 7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.869 -2.073 8.492 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.295 -1.983 7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.472 -2.127 9.079 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.589 -2.301 10.833 1.00 0.00 H new ATOM 134 N SER A 142 -7.980 1.016 9.429 1.00 0.00 N ATOM 135 CA SER A 142 -8.727 1.593 10.553 1.00 0.00 C ATOM 136 C SER A 142 -10.187 1.152 10.492 1.00 0.00 C ATOM 137 O SER A 142 -10.580 0.401 9.599 1.00 0.00 O ATOM 138 CB SER A 142 -8.641 3.124 10.541 1.00 0.00 C ATOM 139 OG SER A 142 -8.897 3.614 11.850 1.00 0.00 O ATOM 0 H SER A 142 -8.486 1.015 8.543 1.00 0.00 H new ATOM 0 HA SER A 142 -8.281 1.233 11.480 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.654 3.443 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.364 3.536 9.837 1.00 0.00 H new ATOM 0 HG SER A 142 -8.842 4.592 11.850 1.00 0.00 H new ATOM 145 N ARG A 143 -10.983 1.618 11.447 1.00 0.00 N ATOM 146 CA ARG A 143 -12.395 1.258 11.496 1.00 0.00 C ATOM 147 C ARG A 143 -13.191 1.977 10.406 1.00 0.00 C ATOM 148 O ARG A 143 -14.104 1.401 9.815 1.00 0.00 O ATOM 149 CB ARG A 143 -12.975 1.617 12.870 1.00 0.00 C ATOM 150 CG ARG A 143 -14.360 0.964 13.052 1.00 0.00 C ATOM 151 CD ARG A 143 -14.210 -0.467 13.587 1.00 0.00 C ATOM 152 NE ARG A 143 -15.521 -1.035 13.876 1.00 0.00 N ATOM 153 CZ ARG A 143 -16.369 -1.341 12.899 1.00 0.00 C ATOM 154 NH1 ARG A 143 -16.034 -1.133 11.656 1.00 0.00 N ATOM 155 NH2 ARG A 143 -17.536 -1.849 13.184 1.00 0.00 N ATOM 0 H ARG A 143 -10.677 2.242 12.194 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.474 0.184 11.327 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.300 1.280 13.657 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.060 2.700 12.965 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -14.961 1.556 13.742 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -14.890 0.949 12.100 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -13.691 -1.085 12.854 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -13.600 -0.464 14.490 1.00 0.00 H new ATOM 0 HE ARG A 143 -15.793 -1.201 14.845 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -15.121 -0.736 11.433 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -16.685 -1.368 10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -17.798 -2.011 14.156 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -18.187 -2.084 12.435 1.00 0.00 H new ATOM 169 N ASP A 144 -12.853 3.242 10.156 1.00 0.00 N ATOM 170 CA ASP A 144 -13.561 4.038 9.147 1.00 0.00 C ATOM 171 C ASP A 144 -12.866 3.975 7.788 1.00 0.00 C ATOM 172 O ASP A 144 -13.491 4.207 6.754 1.00 0.00 O ATOM 173 CB ASP A 144 -13.640 5.494 9.606 1.00 0.00 C ATOM 174 CG ASP A 144 -14.484 6.304 8.628 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.685 6.092 8.598 1.00 0.00 O ATOM 176 OD2 ASP A 144 -13.918 7.123 7.925 1.00 0.00 O ATOM 0 H ASP A 144 -12.099 3.737 10.633 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.562 3.621 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.075 5.546 10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.638 5.918 9.672 1.00 0.00 H new ATOM 181 N GLN A 145 -11.573 3.674 7.794 1.00 0.00 N ATOM 182 CA GLN A 145 -10.811 3.600 6.549 1.00 0.00 C ATOM 183 C GLN A 145 -11.409 2.552 5.607 1.00 0.00 C ATOM 184 O GLN A 145 -10.870 1.456 5.466 1.00 0.00 O ATOM 185 CB GLN A 145 -9.344 3.256 6.870 1.00 0.00 C ATOM 186 CG GLN A 145 -8.549 4.540 7.163 1.00 0.00 C ATOM 187 CD GLN A 145 -7.073 4.211 7.347 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.208 4.926 6.843 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.736 3.167 8.046 1.00 0.00 N ATOM 0 H GLN A 145 -11.033 3.479 8.637 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.856 4.567 6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.299 2.588 7.730 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.895 2.725 6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.672 5.248 6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.937 5.021 8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.457 2.577 8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.751 2.938 8.178 1.00 0.00 H new ATOM 198 N CYS A 146 -12.521 2.909 4.958 1.00 0.00 N ATOM 199 CA CYS A 146 -13.207 2.012 4.018 1.00 0.00 C ATOM 200 C CYS A 146 -13.231 2.641 2.617 1.00 0.00 C ATOM 201 O CYS A 146 -14.008 3.559 2.356 1.00 0.00 O ATOM 202 CB CYS A 146 -14.640 1.773 4.524 1.00 0.00 C ATOM 203 SG CYS A 146 -15.510 0.606 3.449 1.00 0.00 S ATOM 0 H CYS A 146 -12.969 3.819 5.066 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.679 1.061 3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.612 1.386 5.542 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.182 2.718 4.557 1.00 0.00 H new ATOM 208 N ASN A 147 -12.358 2.151 1.726 1.00 0.00 N ATOM 209 CA ASN A 147 -12.262 2.681 0.355 1.00 0.00 C ATOM 210 C ASN A 147 -12.188 1.553 -0.681 1.00 0.00 C ATOM 211 O ASN A 147 -11.959 0.394 -0.337 1.00 0.00 O ATOM 212 CB ASN A 147 -11.016 3.563 0.230 1.00 0.00 C ATOM 213 CG ASN A 147 -10.892 4.467 1.450 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.346 5.611 1.424 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.302 4.022 2.525 1.00 0.00 N ATOM 0 H ASN A 147 -11.709 1.390 1.927 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.160 3.267 0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.127 2.939 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.077 4.167 -0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.216 4.622 3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.926 3.074 2.545 1.00 0.00 H new ATOM 222 N ASP A 148 -12.391 1.908 -1.954 1.00 0.00 N ATOM 223 CA ASP A 148 -12.355 0.928 -3.044 1.00 0.00 C ATOM 224 C ASP A 148 -10.927 0.518 -3.393 1.00 0.00 C ATOM 225 O ASP A 148 -9.967 1.225 -3.088 1.00 0.00 O ATOM 226 CB ASP A 148 -13.049 1.497 -4.286 1.00 0.00 C ATOM 227 CG ASP A 148 -12.560 2.912 -4.562 1.00 0.00 C ATOM 228 OD1 ASP A 148 -11.589 3.051 -5.285 1.00 0.00 O ATOM 229 OD2 ASP A 148 -13.168 3.838 -4.050 1.00 0.00 O ATOM 0 H ASP A 148 -12.581 2.864 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.884 0.038 -2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.847 0.861 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.129 1.500 -4.138 1.00 0.00 H new ATOM 234 N TYR A 149 -10.807 -0.644 -4.032 1.00 0.00 N ATOM 235 CA TYR A 149 -9.507 -1.175 -4.430 1.00 0.00 C ATOM 236 C TYR A 149 -8.657 -0.096 -5.095 1.00 0.00 C ATOM 237 O TYR A 149 -7.559 0.216 -4.634 1.00 0.00 O ATOM 238 CB TYR A 149 -9.710 -2.336 -5.409 1.00 0.00 C ATOM 239 CG TYR A 149 -8.388 -3.001 -5.717 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.915 -4.039 -4.902 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.640 -2.583 -6.824 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.694 -4.659 -5.198 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.420 -3.203 -7.118 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.948 -4.240 -6.307 1.00 0.00 C ATOM 245 OH TYR A 149 -4.745 -4.852 -6.598 1.00 0.00 O ATOM 0 H TYR A 149 -11.598 -1.237 -4.285 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.988 -1.524 -3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.400 -3.064 -4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.163 -1.969 -6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.491 -4.360 -4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -8.004 -1.782 -7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.328 -5.459 -4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.843 -2.880 -7.972 1.00 0.00 H new ATOM 0 HH TYR A 149 -4.011 -4.335 -6.204 1.00 0.00 H new ATOM 255 N GLN A 150 -9.171 0.466 -6.185 1.00 0.00 N ATOM 256 CA GLN A 150 -8.450 1.504 -6.911 1.00 0.00 C ATOM 257 C GLN A 150 -8.069 2.650 -5.982 1.00 0.00 C ATOM 258 O GLN A 150 -6.920 3.091 -5.965 1.00 0.00 O ATOM 259 CB GLN A 150 -9.313 2.036 -8.057 1.00 0.00 C ATOM 260 CG GLN A 150 -8.587 3.190 -8.762 1.00 0.00 C ATOM 261 CD GLN A 150 -9.148 3.385 -10.162 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.998 4.247 -10.383 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.713 2.626 -11.128 1.00 0.00 N ATOM 0 H GLN A 150 -10.078 0.222 -6.582 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.537 1.067 -7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.522 1.237 -8.768 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.273 2.379 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.701 4.108 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.519 2.979 -8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.008 1.913 -10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.077 2.745 -12.073 1.00 0.00 H new ATOM 272 N HIS A 151 -9.037 3.131 -5.210 1.00 0.00 N ATOM 273 CA HIS A 151 -8.783 4.228 -4.285 1.00 0.00 C ATOM 274 C HIS A 151 -7.572 3.908 -3.415 1.00 0.00 C ATOM 275 O HIS A 151 -6.677 4.739 -3.255 1.00 0.00 O ATOM 276 CB HIS A 151 -10.014 4.469 -3.394 1.00 0.00 C ATOM 277 CG HIS A 151 -11.016 5.330 -4.121 1.00 0.00 C ATOM 278 ND1 HIS A 151 -11.062 5.404 -5.505 1.00 0.00 N ATOM 279 CD2 HIS A 151 -12.012 6.158 -3.668 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.055 6.250 -5.832 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.667 6.739 -4.751 1.00 0.00 N ATOM 0 H HIS A 151 -9.996 2.782 -5.206 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.581 5.131 -4.862 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.469 3.516 -3.123 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.712 4.953 -2.465 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -12.252 6.333 -2.629 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -12.325 6.503 -6.847 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -13.446 7.396 -4.724 1.00 0.00 H new ATOM 290 N TRP A 152 -7.551 2.707 -2.846 1.00 0.00 N ATOM 291 CA TRP A 152 -6.442 2.317 -1.991 1.00 0.00 C ATOM 292 C TRP A 152 -5.127 2.354 -2.772 1.00 0.00 C ATOM 293 O TRP A 152 -4.129 2.889 -2.296 1.00 0.00 O ATOM 294 CB TRP A 152 -6.667 0.902 -1.414 1.00 0.00 C ATOM 295 CG TRP A 152 -7.451 0.953 -0.135 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.553 0.209 0.115 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.211 1.751 1.071 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.015 0.499 1.384 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.227 1.446 2.011 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.233 2.703 1.445 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.271 2.056 3.261 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.278 3.314 2.703 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.294 2.998 3.607 1.00 0.00 C ATOM 0 H TRP A 152 -8.277 2.000 -2.960 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.386 3.027 -1.166 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.197 0.289 -2.144 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.705 0.423 -1.234 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.000 -0.498 -0.568 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.837 0.067 1.807 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.445 2.960 0.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.054 1.804 3.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.522 4.035 2.977 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.327 3.480 4.573 1.00 0.00 H new ATOM 314 N LYS A 153 -5.132 1.774 -3.965 1.00 0.00 N ATOM 315 CA LYS A 153 -3.933 1.739 -4.796 1.00 0.00 C ATOM 316 C LYS A 153 -3.289 3.119 -4.873 1.00 0.00 C ATOM 317 O LYS A 153 -2.066 3.245 -4.820 1.00 0.00 O ATOM 318 CB LYS A 153 -4.309 1.231 -6.203 1.00 0.00 C ATOM 319 CG LYS A 153 -3.131 0.486 -6.867 1.00 0.00 C ATOM 320 CD LYS A 153 -3.660 -0.450 -7.962 1.00 0.00 C ATOM 321 CE LYS A 153 -4.310 0.366 -9.084 1.00 0.00 C ATOM 322 NZ LYS A 153 -4.342 -0.448 -10.332 1.00 0.00 N ATOM 0 H LYS A 153 -5.948 1.323 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.205 1.060 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.169 0.565 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.607 2.073 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.430 1.203 -7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.583 -0.087 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.843 -1.050 -8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.386 -1.144 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.322 0.655 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.750 1.286 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.783 0.104 -11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.371 -0.703 -10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.894 -1.314 -10.168 1.00 0.00 H new ATOM 336 N ASP A 154 -4.113 4.148 -4.994 1.00 0.00 N ATOM 337 CA ASP A 154 -3.598 5.507 -5.069 1.00 0.00 C ATOM 338 C ASP A 154 -3.120 5.979 -3.699 1.00 0.00 C ATOM 339 O ASP A 154 -2.015 6.500 -3.567 1.00 0.00 O ATOM 340 CB ASP A 154 -4.687 6.451 -5.584 1.00 0.00 C ATOM 341 CG ASP A 154 -5.002 6.137 -7.042 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.982 4.967 -7.394 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.260 7.068 -7.787 1.00 0.00 O ATOM 0 H ASP A 154 -5.129 4.071 -5.042 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.753 5.516 -5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.587 6.346 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.358 7.486 -5.489 1.00 0.00 H new ATOM 348 N GLU A 155 -3.959 5.791 -2.682 1.00 0.00 N ATOM 349 CA GLU A 155 -3.611 6.208 -1.326 1.00 0.00 C ATOM 350 C GLU A 155 -2.313 5.547 -0.859 1.00 0.00 C ATOM 351 O GLU A 155 -1.392 6.231 -0.412 1.00 0.00 O ATOM 352 CB GLU A 155 -4.761 5.868 -0.365 1.00 0.00 C ATOM 353 CG GLU A 155 -4.318 6.062 1.101 1.00 0.00 C ATOM 354 CD GLU A 155 -5.515 6.438 1.974 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.599 5.949 1.702 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.327 7.210 2.900 1.00 0.00 O ATOM 0 H GLU A 155 -4.877 5.356 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.452 7.286 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.620 6.504 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.080 4.838 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.862 5.145 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.559 6.842 1.158 1.00 0.00 H new ATOM 363 N ALA A 156 -2.235 4.224 -0.969 1.00 0.00 N ATOM 364 CA ALA A 156 -1.030 3.513 -0.555 1.00 0.00 C ATOM 365 C ALA A 156 0.176 4.095 -1.274 1.00 0.00 C ATOM 366 O ALA A 156 1.282 4.132 -0.733 1.00 0.00 O ATOM 367 CB ALA A 156 -1.153 2.018 -0.875 1.00 0.00 C ATOM 0 H ALA A 156 -2.979 3.630 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.904 3.630 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.246 1.503 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.010 1.602 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.291 1.886 -1.948 1.00 0.00 H new ATOM 373 N GLY A 157 -0.049 4.564 -2.497 1.00 0.00 N ATOM 374 CA GLY A 157 1.020 5.161 -3.285 1.00 0.00 C ATOM 375 C GLY A 157 1.503 6.461 -2.645 1.00 0.00 C ATOM 376 O GLY A 157 2.704 6.675 -2.486 1.00 0.00 O ATOM 0 H GLY A 157 -0.957 4.542 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.851 4.461 -3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.666 5.358 -4.297 1.00 0.00 H new ATOM 380 N LYS A 158 0.559 7.327 -2.282 1.00 0.00 N ATOM 381 CA LYS A 158 0.906 8.601 -1.662 1.00 0.00 C ATOM 382 C LYS A 158 1.527 8.386 -0.285 1.00 0.00 C ATOM 383 O LYS A 158 2.432 9.118 0.113 1.00 0.00 O ATOM 384 CB LYS A 158 -0.335 9.490 -1.518 1.00 0.00 C ATOM 385 CG LYS A 158 -1.126 9.519 -2.840 1.00 0.00 C ATOM 386 CD LYS A 158 -1.907 10.834 -2.957 1.00 0.00 C ATOM 387 CE LYS A 158 -2.915 10.932 -1.809 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.865 12.048 -2.078 1.00 0.00 N ATOM 0 H LYS A 158 -0.441 7.171 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 158 1.632 9.093 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -0.969 9.114 -0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.037 10.501 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.444 9.416 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.813 8.674 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.221 11.681 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.425 10.878 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.459 9.993 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.394 11.102 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.550 12.116 -1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.338 12.941 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.370 11.867 -2.969 1.00 0.00 H new ATOM 402 N GLN A 159 1.034 7.388 0.442 1.00 0.00 N ATOM 403 CA GLN A 159 1.554 7.108 1.778 1.00 0.00 C ATOM 404 C GLN A 159 3.051 6.802 1.715 1.00 0.00 C ATOM 405 O GLN A 159 3.824 7.252 2.559 1.00 0.00 O ATOM 406 CB GLN A 159 0.793 5.919 2.409 1.00 0.00 C ATOM 407 CG GLN A 159 0.649 6.128 3.925 1.00 0.00 C ATOM 408 CD GLN A 159 -0.475 7.116 4.215 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.231 8.195 4.755 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.701 6.810 3.886 1.00 0.00 N ATOM 0 H GLN A 159 0.285 6.767 0.135 1.00 0.00 H new ATOM 0 HA GLN A 159 1.406 7.991 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.192 5.824 1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.327 4.990 2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.441 5.176 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.586 6.500 4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.901 5.915 3.439 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.459 7.466 4.076 1.00 0.00 H new ATOM 419 N CYS A 160 3.447 6.027 0.713 1.00 0.00 N ATOM 420 CA CYS A 160 4.848 5.662 0.550 1.00 0.00 C ATOM 421 C CYS A 160 5.654 6.822 -0.028 1.00 0.00 C ATOM 422 O CYS A 160 6.767 7.102 0.420 1.00 0.00 O ATOM 423 CB CYS A 160 4.954 4.459 -0.384 1.00 0.00 C ATOM 424 SG CYS A 160 6.605 3.733 -0.249 1.00 0.00 S ATOM 0 H CYS A 160 2.822 5.641 0.005 1.00 0.00 H new ATOM 0 HA CYS A 160 5.254 5.414 1.530 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.197 3.718 -0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.763 4.766 -1.412 1.00 0.00 H new ATOM 429 N LYS A 161 5.090 7.484 -1.031 1.00 0.00 N ATOM 430 CA LYS A 161 5.769 8.604 -1.676 1.00 0.00 C ATOM 431 C LYS A 161 6.015 9.737 -0.686 1.00 0.00 C ATOM 432 O LYS A 161 7.135 10.230 -0.561 1.00 0.00 O ATOM 433 CB LYS A 161 4.925 9.120 -2.848 1.00 0.00 C ATOM 434 CG LYS A 161 4.835 8.052 -3.953 1.00 0.00 C ATOM 435 CD LYS A 161 6.056 8.137 -4.880 1.00 0.00 C ATOM 436 CE LYS A 161 5.874 7.166 -6.048 1.00 0.00 C ATOM 437 NZ LYS A 161 7.052 7.259 -6.958 1.00 0.00 N ATOM 0 H LYS A 161 4.170 7.268 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 161 6.732 8.252 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.925 9.377 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.367 10.032 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 161 4.779 7.060 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 161 3.921 8.193 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 161 6.173 9.154 -5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.964 7.893 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 161 5.768 6.147 -5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 161 4.960 7.403 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 6.930 6.599 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 7.133 8.229 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 7.916 7.013 -6.434 1.00 0.00 H new ATOM 451 N THR A 162 4.964 10.152 0.012 1.00 0.00 N ATOM 452 CA THR A 162 5.090 11.236 0.982 1.00 0.00 C ATOM 453 C THR A 162 6.058 10.847 2.096 1.00 0.00 C ATOM 454 O THR A 162 6.708 11.705 2.693 1.00 0.00 O ATOM 455 CB THR A 162 3.715 11.585 1.571 1.00 0.00 C ATOM 456 OG1 THR A 162 3.798 12.832 2.248 1.00 0.00 O ATOM 457 CG2 THR A 162 3.270 10.500 2.557 1.00 0.00 C ATOM 0 H THR A 162 4.026 9.761 -0.073 1.00 0.00 H new ATOM 0 HA THR A 162 5.486 12.113 0.470 1.00 0.00 H new ATOM 0 HB THR A 162 2.987 11.649 0.762 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.922 13.059 2.624 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.294 10.759 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.203 9.543 2.039 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.996 10.425 3.367 1.00 0.00 H new ATOM 465 N LYS A 163 6.153 9.548 2.366 1.00 0.00 N ATOM 466 CA LYS A 163 7.048 9.060 3.407 1.00 0.00 C ATOM 467 C LYS A 163 8.489 9.059 2.907 1.00 0.00 C ATOM 468 O LYS A 163 8.741 8.977 1.705 1.00 0.00 O ATOM 469 CB LYS A 163 6.640 7.639 3.828 1.00 0.00 C ATOM 470 CG LYS A 163 5.463 7.707 4.817 1.00 0.00 C ATOM 471 CD LYS A 163 5.947 8.193 6.218 1.00 0.00 C ATOM 472 CE LYS A 163 5.213 9.477 6.630 1.00 0.00 C ATOM 473 NZ LYS A 163 5.480 9.763 8.068 1.00 0.00 N ATOM 0 H LYS A 163 5.626 8.821 1.882 1.00 0.00 H new ATOM 0 HA LYS A 163 6.975 9.722 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.357 7.057 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.486 7.129 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.700 8.385 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 163 5.000 6.724 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.771 7.414 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 163 7.022 8.374 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.546 10.312 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 163 4.142 9.365 6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 4.983 10.633 8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 5.142 8.969 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.502 9.887 8.213 1.00 0.00 H new ATOM 487 N LYS A 164 9.432 9.156 3.841 1.00 0.00 N ATOM 488 CA LYS A 164 10.853 9.171 3.496 1.00 0.00 C ATOM 489 C LYS A 164 11.668 8.460 4.572 1.00 0.00 C ATOM 490 O LYS A 164 11.183 8.222 5.678 1.00 0.00 O ATOM 491 CB LYS A 164 11.341 10.621 3.362 1.00 0.00 C ATOM 492 CG LYS A 164 10.833 11.472 4.550 1.00 0.00 C ATOM 493 CD LYS A 164 9.515 12.173 4.186 1.00 0.00 C ATOM 494 CE LYS A 164 9.088 13.082 5.340 1.00 0.00 C ATOM 495 NZ LYS A 164 10.097 14.163 5.522 1.00 0.00 N ATOM 0 H LYS A 164 9.240 9.225 4.840 1.00 0.00 H new ATOM 0 HA LYS A 164 10.986 8.651 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.430 10.643 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.985 11.046 2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.684 10.836 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.584 12.214 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.641 12.758 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.740 11.433 3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.109 13.515 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 164 8.992 12.502 6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 9.651 14.980 5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 10.878 13.813 6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 10.467 14.452 4.594 1.00 0.00 H new ATOM 509 N SER A 165 12.910 8.126 4.237 1.00 0.00 N ATOM 510 CA SER A 165 13.789 7.445 5.182 1.00 0.00 C ATOM 511 C SER A 165 14.368 8.442 6.179 1.00 0.00 C ATOM 512 O SER A 165 14.001 9.617 6.179 1.00 0.00 O ATOM 513 CB SER A 165 14.922 6.749 4.428 1.00 0.00 C ATOM 514 OG SER A 165 15.927 6.350 5.352 1.00 0.00 O ATOM 0 H SER A 165 13.328 8.314 3.326 1.00 0.00 H new ATOM 0 HA SER A 165 13.209 6.700 5.727 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.538 5.880 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.345 7.422 3.682 1.00 0.00 H new ATOM 0 HG SER A 165 16.654 5.902 4.871 1.00 0.00 H new ATOM 520 N LYS A 166 15.274 7.967 7.029 1.00 0.00 N ATOM 521 CA LYS A 166 15.893 8.830 8.029 1.00 0.00 C ATOM 522 C LYS A 166 16.663 9.963 7.355 1.00 0.00 C ATOM 523 O LYS A 166 16.764 11.064 7.897 1.00 0.00 O ATOM 524 CB LYS A 166 16.848 8.011 8.905 1.00 0.00 C ATOM 525 CG LYS A 166 17.276 8.831 10.138 1.00 0.00 C ATOM 526 CD LYS A 166 16.242 8.684 11.263 1.00 0.00 C ATOM 527 CE LYS A 166 16.760 9.380 12.523 1.00 0.00 C ATOM 528 NZ LYS A 166 15.706 9.347 13.577 1.00 0.00 N ATOM 0 H LYS A 166 15.593 6.998 7.046 1.00 0.00 H new ATOM 0 HA LYS A 166 15.107 9.259 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 166 16.361 7.089 9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.727 7.724 8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 166 18.252 8.494 10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 166 17.380 9.881 9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.291 9.121 10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 166 16.057 7.629 11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 166 17.663 8.884 12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 166 17.031 10.411 12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 16.057 9.820 14.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.856 9.839 13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 15.468 8.359 13.799 1.00 0.00 H new ATOM 542 N GLY A 167 17.207 9.686 6.172 1.00 0.00 N ATOM 543 CA GLY A 167 17.970 10.688 5.429 1.00 0.00 C ATOM 544 C GLY A 167 17.075 11.448 4.455 1.00 0.00 C ATOM 545 O GLY A 167 17.511 11.832 3.369 1.00 0.00 O ATOM 0 H GLY A 167 17.135 8.780 5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.432 11.388 6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.778 10.202 4.882 1.00 0.00 H new ATOM 549 N ASN A 168 15.824 11.663 4.848 1.00 0.00 N ATOM 550 CA ASN A 168 14.877 12.379 3.996 1.00 0.00 C ATOM 551 C ASN A 168 14.962 11.877 2.558 1.00 0.00 C ATOM 552 O ASN A 168 14.944 12.664 1.613 1.00 0.00 O ATOM 553 CB ASN A 168 15.176 13.879 4.033 1.00 0.00 C ATOM 554 CG ASN A 168 15.090 14.393 5.466 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.042 14.992 5.970 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.001 14.196 6.158 1.00 0.00 N ATOM 0 H ASN A 168 15.443 11.355 5.743 1.00 0.00 H new ATOM 0 HA ASN A 168 13.870 12.198 4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.170 14.070 3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.467 14.415 3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 168 13.937 14.538 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.214 13.700 5.740 1.00 0.00 H new ATOM 563 N LYS A 169 15.054 10.558 2.404 1.00 0.00 N ATOM 564 CA LYS A 169 15.144 9.947 1.077 1.00 0.00 C ATOM 565 C LYS A 169 13.738 9.684 0.524 1.00 0.00 C ATOM 566 O LYS A 169 12.749 10.171 1.069 1.00 0.00 O ATOM 567 CB LYS A 169 15.950 8.628 1.173 1.00 0.00 C ATOM 568 CG LYS A 169 16.909 8.489 -0.024 1.00 0.00 C ATOM 569 CD LYS A 169 17.304 7.021 -0.206 1.00 0.00 C ATOM 570 CE LYS A 169 18.223 6.885 -1.422 1.00 0.00 C ATOM 571 NZ LYS A 169 19.280 7.934 -1.364 1.00 0.00 N ATOM 0 H LYS A 169 15.068 9.893 3.177 1.00 0.00 H new ATOM 0 HA LYS A 169 15.657 10.626 0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.517 8.609 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.267 7.779 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.430 8.861 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.799 9.097 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 169 17.810 6.656 0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 169 16.413 6.408 -0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.678 5.895 -1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 169 17.646 6.985 -2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 20.094 7.639 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 18.901 8.829 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 19.583 8.067 -0.378 1.00 0.00 H new ATOM 585 N ASP A 170 13.660 8.912 -0.560 1.00 0.00 N ATOM 586 CA ASP A 170 12.376 8.586 -1.185 1.00 0.00 C ATOM 587 C ASP A 170 12.240 7.077 -1.361 1.00 0.00 C ATOM 588 O ASP A 170 13.236 6.356 -1.392 1.00 0.00 O ATOM 589 CB ASP A 170 12.274 9.269 -2.550 1.00 0.00 C ATOM 590 CG ASP A 170 10.834 9.231 -3.048 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.459 8.236 -3.648 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.124 10.198 -2.822 1.00 0.00 O ATOM 0 H ASP A 170 14.470 8.500 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 170 11.574 8.942 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.614 10.302 -2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 170 12.928 8.770 -3.265 1.00 0.00 H new ATOM 597 N MET A 171 10.999 6.606 -1.474 1.00 0.00 N ATOM 598 CA MET A 171 10.741 5.176 -1.645 1.00 0.00 C ATOM 599 C MET A 171 9.478 4.952 -2.470 1.00 0.00 C ATOM 600 O MET A 171 8.471 5.631 -2.276 1.00 0.00 O ATOM 601 CB MET A 171 10.571 4.506 -0.278 1.00 0.00 C ATOM 602 CG MET A 171 11.806 4.773 0.588 1.00 0.00 C ATOM 603 SD MET A 171 11.746 3.731 2.070 1.00 0.00 S ATOM 604 CE MET A 171 11.945 2.124 1.257 1.00 0.00 C ATOM 0 H MET A 171 10.162 7.188 -1.451 1.00 0.00 H new ATOM 0 HA MET A 171 11.591 4.738 -2.167 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.679 4.890 0.217 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.429 3.433 -0.404 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.713 4.564 0.020 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.843 5.825 0.872 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.252 1.380 1.992 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.998 1.823 0.810 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.705 2.201 0.479 1.00 0.00 H new ATOM 614 N ILE A 172 9.536 3.984 -3.383 1.00 0.00 N ATOM 615 CA ILE A 172 8.388 3.660 -4.228 1.00 0.00 C ATOM 616 C ILE A 172 7.558 2.571 -3.566 1.00 0.00 C ATOM 617 O ILE A 172 7.813 2.204 -2.422 1.00 0.00 O ATOM 618 CB ILE A 172 8.863 3.187 -5.612 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.657 1.873 -5.500 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.766 4.259 -6.228 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.947 1.333 -6.902 1.00 0.00 C ATOM 0 H ILE A 172 10.363 3.412 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 172 7.777 4.554 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 172 7.987 3.018 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.591 2.044 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.090 1.140 -4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.106 3.929 -7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.208 5.189 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.628 4.423 -5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.509 0.402 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 172 9.007 1.147 -7.422 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.531 2.065 -7.460 1.00 0.00 H new ATOM 633 N VAL A 173 6.578 2.040 -4.297 1.00 0.00 N ATOM 634 CA VAL A 173 5.728 0.964 -3.781 1.00 0.00 C ATOM 635 C VAL A 173 5.983 -0.309 -4.582 1.00 0.00 C ATOM 636 O VAL A 173 5.613 -0.410 -5.751 1.00 0.00 O ATOM 637 CB VAL A 173 4.248 1.362 -3.867 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.366 0.147 -3.553 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.954 2.479 -2.852 1.00 0.00 C ATOM 0 H VAL A 173 6.352 2.336 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 173 5.971 0.785 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 173 4.031 1.718 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.316 0.434 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.569 -0.646 -4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.585 -0.212 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.903 2.760 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.175 2.124 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.575 3.346 -3.075 1.00 0.00 H new ATOM 649 N ARG A 174 6.634 -1.268 -3.938 1.00 0.00 N ATOM 650 CA ARG A 174 6.965 -2.532 -4.583 1.00 0.00 C ATOM 651 C ARG A 174 5.727 -3.429 -4.690 1.00 0.00 C ATOM 652 O ARG A 174 5.356 -3.854 -5.783 1.00 0.00 O ATOM 653 CB ARG A 174 8.096 -3.220 -3.783 1.00 0.00 C ATOM 654 CG ARG A 174 8.018 -4.751 -3.897 1.00 0.00 C ATOM 655 CD ARG A 174 9.362 -5.367 -3.503 1.00 0.00 C ATOM 656 NE ARG A 174 9.255 -6.821 -3.451 1.00 0.00 N ATOM 657 CZ ARG A 174 10.265 -7.569 -3.018 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.376 -7.005 -2.628 1.00 0.00 N ATOM 659 NH2 ARG A 174 10.146 -8.867 -2.982 1.00 0.00 N ATOM 0 H ARG A 174 6.944 -1.195 -2.969 1.00 0.00 H new ATOM 0 HA ARG A 174 7.312 -2.346 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.063 -2.876 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.030 -2.929 -2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.228 -5.134 -3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.761 -5.037 -4.917 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.128 -5.077 -4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.675 -4.983 -2.532 1.00 0.00 H new ATOM 0 HE ARG A 174 8.391 -7.271 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.469 -5.990 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.150 -7.580 -2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.278 -9.308 -3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 174 10.921 -9.441 -2.650 1.00 0.00 H new ATOM 673 N SER A 175 5.099 -3.720 -3.549 1.00 0.00 N ATOM 674 CA SER A 175 3.907 -4.580 -3.527 1.00 0.00 C ATOM 675 C SER A 175 2.684 -3.800 -3.055 1.00 0.00 C ATOM 676 O SER A 175 2.808 -2.712 -2.491 1.00 0.00 O ATOM 677 CB SER A 175 4.144 -5.769 -2.595 1.00 0.00 C ATOM 678 OG SER A 175 3.215 -6.800 -2.904 1.00 0.00 O ATOM 0 H SER A 175 5.390 -3.378 -2.633 1.00 0.00 H new ATOM 0 HA SER A 175 3.723 -4.937 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.164 -6.137 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.030 -5.460 -1.556 1.00 0.00 H new ATOM 0 HG SER A 175 3.365 -7.565 -2.310 1.00 0.00 H new ATOM 684 N PHE A 176 1.503 -4.367 -3.288 1.00 0.00 N ATOM 685 CA PHE A 176 0.266 -3.715 -2.878 1.00 0.00 C ATOM 686 C PHE A 176 -0.916 -4.682 -2.985 1.00 0.00 C ATOM 687 O PHE A 176 -1.095 -5.361 -3.998 1.00 0.00 O ATOM 688 CB PHE A 176 0.044 -2.456 -3.740 1.00 0.00 C ATOM 689 CG PHE A 176 -1.419 -2.054 -3.757 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.939 -1.268 -2.726 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.252 -2.475 -4.799 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.283 -0.905 -2.729 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.603 -2.105 -4.806 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.118 -1.320 -3.767 1.00 0.00 C ATOM 0 H PHE A 176 1.378 -5.266 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 176 0.343 -3.414 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.645 -1.635 -3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.384 -2.645 -4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.295 -0.940 -1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.854 -3.084 -5.597 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.680 -0.301 -1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.247 -2.425 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.160 -1.036 -3.769 1.00 0.00 H new ATOM 704 N ALA A 177 -1.717 -4.726 -1.924 1.00 0.00 N ATOM 705 CA ALA A 177 -2.889 -5.598 -1.875 1.00 0.00 C ATOM 706 C ALA A 177 -3.776 -5.193 -0.703 1.00 0.00 C ATOM 707 O ALA A 177 -3.269 -4.842 0.354 1.00 0.00 O ATOM 708 CB ALA A 177 -2.452 -7.054 -1.703 1.00 0.00 C ATOM 0 H ALA A 177 -1.576 -4.166 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.445 -5.500 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.332 -7.696 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.823 -7.347 -2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.889 -7.158 -0.775 1.00 0.00 H new ATOM 714 N VAL A 178 -5.095 -5.238 -0.886 1.00 0.00 N ATOM 715 CA VAL A 178 -6.002 -4.844 0.190 1.00 0.00 C ATOM 716 C VAL A 178 -5.943 -5.841 1.344 1.00 0.00 C ATOM 717 O VAL A 178 -5.419 -6.945 1.196 1.00 0.00 O ATOM 718 CB VAL A 178 -7.441 -4.714 -0.322 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.532 -3.520 -1.280 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.863 -5.995 -1.053 1.00 0.00 C ATOM 0 H VAL A 178 -5.551 -5.536 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.677 -3.870 0.555 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.109 -4.558 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.554 -3.424 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.248 -2.609 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.858 -3.677 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.887 -5.889 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.198 -6.167 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.804 -6.841 -0.368 1.00 0.00 H new ATOM 730 N LEU A 179 -6.452 -5.427 2.511 1.00 0.00 N ATOM 731 CA LEU A 179 -6.418 -6.275 3.709 1.00 0.00 C ATOM 732 C LEU A 179 -7.816 -6.733 4.131 1.00 0.00 C ATOM 733 O LEU A 179 -8.349 -7.711 3.606 1.00 0.00 O ATOM 734 CB LEU A 179 -5.786 -5.498 4.879 1.00 0.00 C ATOM 735 CG LEU A 179 -4.259 -5.389 4.713 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.671 -4.484 5.835 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.618 -6.804 4.754 1.00 0.00 C ATOM 0 H LEU A 179 -6.889 -4.516 2.651 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.826 -7.156 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.221 -4.500 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.018 -5.999 5.819 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.031 -4.937 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.590 -4.410 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.113 -3.490 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.898 -4.918 6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.538 -6.718 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.842 -7.277 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.024 -7.411 3.945 1.00 0.00 H new ATOM 749 N GLU A 180 -8.374 -6.039 5.119 1.00 0.00 N ATOM 750 CA GLU A 180 -9.683 -6.396 5.658 1.00 0.00 C ATOM 751 C GLU A 180 -10.811 -6.049 4.679 1.00 0.00 C ATOM 752 O GLU A 180 -10.725 -5.053 3.960 1.00 0.00 O ATOM 753 CB GLU A 180 -9.913 -5.654 6.976 1.00 0.00 C ATOM 754 CG GLU A 180 -9.009 -6.243 8.061 1.00 0.00 C ATOM 755 CD GLU A 180 -8.992 -5.325 9.279 1.00 0.00 C ATOM 756 OE1 GLU A 180 -9.862 -5.475 10.120 1.00 0.00 O ATOM 757 OE2 GLU A 180 -8.109 -4.486 9.352 1.00 0.00 O ATOM 0 H GLU A 180 -7.942 -5.228 5.562 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.695 -7.473 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.701 -4.592 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.958 -5.737 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.366 -7.233 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.997 -6.368 7.675 1.00 0.00 H new ATOM 764 N PRO A 181 -11.869 -6.836 4.639 1.00 0.00 N ATOM 765 CA PRO A 181 -13.026 -6.581 3.731 1.00 0.00 C ATOM 766 C PRO A 181 -13.982 -5.512 4.274 1.00 0.00 C ATOM 767 O PRO A 181 -14.186 -5.387 5.482 1.00 0.00 O ATOM 768 CB PRO A 181 -13.720 -7.943 3.677 1.00 0.00 C ATOM 769 CG PRO A 181 -13.495 -8.514 5.037 1.00 0.00 C ATOM 770 CD PRO A 181 -12.087 -8.063 5.440 1.00 0.00 C ATOM 0 HA PRO A 181 -12.710 -6.200 2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.783 -7.842 3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.293 -8.579 2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.241 -8.151 5.744 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.571 -9.601 5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.022 -7.860 6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.342 -8.826 5.214 1.00 0.00 H new ATOM 778 N CYS A 182 -14.564 -4.760 3.350 1.00 0.00 N ATOM 779 CA CYS A 182 -15.522 -3.695 3.664 1.00 0.00 C ATOM 780 C CYS A 182 -16.715 -3.832 2.719 1.00 0.00 C ATOM 781 O CYS A 182 -16.843 -4.848 2.037 1.00 0.00 O ATOM 782 CB CYS A 182 -14.865 -2.320 3.509 1.00 0.00 C ATOM 783 SG CYS A 182 -15.679 -1.087 4.549 1.00 0.00 S ATOM 0 H CYS A 182 -14.387 -4.868 2.351 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.856 -3.786 4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.810 -2.386 3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.911 -2.007 2.466 1.00 0.00 H new ATOM 788 N ALA A 183 -17.595 -2.832 2.705 1.00 0.00 N ATOM 789 CA ALA A 183 -18.787 -2.867 1.848 1.00 0.00 C ATOM 790 C ALA A 183 -18.509 -3.566 0.509 1.00 0.00 C ATOM 791 O ALA A 183 -17.358 -3.728 0.109 1.00 0.00 O ATOM 792 CB ALA A 183 -19.268 -1.439 1.578 1.00 0.00 C ATOM 0 H ALA A 183 -17.509 -1.989 3.273 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.555 -3.435 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.153 -1.467 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.515 -0.954 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.479 -0.878 1.077 1.00 0.00 H new ATOM 798 N LEU A 184 -19.594 -3.985 -0.155 1.00 0.00 N ATOM 799 CA LEU A 184 -19.534 -4.702 -1.443 1.00 0.00 C ATOM 800 C LEU A 184 -18.166 -4.599 -2.132 1.00 0.00 C ATOM 801 O LEU A 184 -17.461 -5.598 -2.264 1.00 0.00 O ATOM 802 CB LEU A 184 -20.625 -4.150 -2.376 1.00 0.00 C ATOM 803 CG LEU A 184 -21.065 -5.221 -3.386 1.00 0.00 C ATOM 804 CD1 LEU A 184 -22.147 -4.637 -4.299 1.00 0.00 C ATOM 805 CD2 LEU A 184 -19.863 -5.667 -4.232 1.00 0.00 C ATOM 0 H LEU A 184 -20.544 -3.837 0.185 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.697 -5.759 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.482 -3.823 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.249 -3.275 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.462 -6.083 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -22.463 -5.393 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -23.002 -4.328 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -21.747 -3.774 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -20.182 -6.426 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -19.459 -4.810 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -19.094 -6.082 -3.581 1.00 0.00 H new ATOM 817 N ASP A 185 -17.802 -3.395 -2.580 1.00 0.00 N ATOM 818 CA ASP A 185 -16.516 -3.187 -3.264 1.00 0.00 C ATOM 819 C ASP A 185 -15.662 -2.187 -2.497 1.00 0.00 C ATOM 820 O ASP A 185 -15.431 -1.071 -2.963 1.00 0.00 O ATOM 821 CB ASP A 185 -16.765 -2.661 -4.679 1.00 0.00 C ATOM 822 CG ASP A 185 -15.448 -2.586 -5.445 1.00 0.00 C ATOM 823 OD1 ASP A 185 -14.607 -3.441 -5.222 1.00 0.00 O ATOM 824 OD2 ASP A 185 -15.301 -1.676 -6.243 1.00 0.00 O ATOM 0 H ASP A 185 -18.371 -2.554 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.989 -4.140 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.463 -3.315 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.226 -1.674 -4.634 1.00 0.00 H new ATOM 829 N MET A 186 -15.205 -2.592 -1.317 1.00 0.00 N ATOM 830 CA MET A 186 -14.389 -1.721 -0.479 1.00 0.00 C ATOM 831 C MET A 186 -13.575 -2.534 0.526 1.00 0.00 C ATOM 832 O MET A 186 -13.878 -3.698 0.785 1.00 0.00 O ATOM 833 CB MET A 186 -15.288 -0.717 0.260 1.00 0.00 C ATOM 834 CG MET A 186 -15.830 0.341 -0.707 1.00 0.00 C ATOM 835 SD MET A 186 -16.372 1.787 0.237 1.00 0.00 S ATOM 836 CE MET A 186 -15.974 3.042 -1.005 1.00 0.00 C ATOM 0 H MET A 186 -15.385 -3.514 -0.920 1.00 0.00 H new ATOM 0 HA MET A 186 -13.694 -1.180 -1.120 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.117 -1.243 0.732 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.723 -0.233 1.056 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.059 0.627 -1.422 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.662 -0.066 -1.281 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.116 4.035 -0.578 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.936 2.927 -1.319 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.629 2.921 -1.868 1.00 0.00 H new ATOM 846 N PHE A 187 -12.537 -1.907 1.093 1.00 0.00 N ATOM 847 CA PHE A 187 -11.674 -2.573 2.080 1.00 0.00 C ATOM 848 C PHE A 187 -11.418 -1.663 3.285 1.00 0.00 C ATOM 849 O PHE A 187 -11.115 -0.480 3.130 1.00 0.00 O ATOM 850 CB PHE A 187 -10.358 -2.952 1.412 1.00 0.00 C ATOM 851 CG PHE A 187 -10.674 -3.884 0.275 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.780 -5.258 0.510 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.897 -3.371 -1.007 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.101 -6.123 -0.540 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.225 -4.233 -2.057 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.327 -5.611 -1.825 1.00 0.00 C ATOM 0 H PHE A 187 -12.274 -0.943 0.887 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.173 -3.471 2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.845 -2.063 1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.691 -3.433 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.614 -5.651 1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.816 -2.309 -1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.175 -7.186 -0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.400 -3.837 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.580 -6.278 -2.636 1.00 0.00 H new ATOM 866 N THR A 188 -11.569 -2.226 4.486 1.00 0.00 N ATOM 867 CA THR A 188 -11.380 -1.457 5.719 1.00 0.00 C ATOM 868 C THR A 188 -9.916 -1.056 5.900 1.00 0.00 C ATOM 869 O THR A 188 -9.605 -0.153 6.676 1.00 0.00 O ATOM 870 CB THR A 188 -11.849 -2.260 6.961 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.719 -2.699 7.705 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.672 -3.481 6.541 1.00 0.00 C ATOM 0 H THR A 188 -11.820 -3.204 4.631 1.00 0.00 H new ATOM 0 HA THR A 188 -11.988 -0.557 5.630 1.00 0.00 H new ATOM 0 HB THR A 188 -12.470 -1.606 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 188 -11.020 -3.204 8.489 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.990 -4.028 7.428 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.549 -3.154 5.983 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.064 -4.131 5.912 1.00 0.00 H new ATOM 880 N GLY A 189 -9.021 -1.737 5.192 1.00 0.00 N ATOM 881 CA GLY A 189 -7.599 -1.443 5.304 1.00 0.00 C ATOM 882 C GLY A 189 -6.824 -2.045 4.144 1.00 0.00 C ATOM 883 O GLY A 189 -7.324 -2.922 3.440 1.00 0.00 O ATOM 0 H GLY A 189 -9.252 -2.488 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.448 -0.364 5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.216 -1.837 6.245 1.00 0.00 H new ATOM 887 N VAL A 190 -5.594 -1.566 3.941 1.00 0.00 N ATOM 888 CA VAL A 190 -4.762 -2.071 2.849 1.00 0.00 C ATOM 889 C VAL A 190 -3.291 -2.164 3.248 1.00 0.00 C ATOM 890 O VAL A 190 -2.779 -1.320 3.985 1.00 0.00 O ATOM 891 CB VAL A 190 -4.915 -1.157 1.618 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.471 0.269 1.973 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.070 -1.686 0.429 1.00 0.00 C ATOM 0 H VAL A 190 -5.158 -0.840 4.510 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.101 -3.079 2.609 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.964 -1.151 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.581 0.912 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.089 0.651 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.427 0.258 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.194 -1.024 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.019 -1.716 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.403 -2.690 0.164 1.00 0.00 H new ATOM 903 N GLU A 191 -2.616 -3.198 2.741 1.00 0.00 N ATOM 904 CA GLU A 191 -1.194 -3.411 3.021 1.00 0.00 C ATOM 905 C GLU A 191 -0.372 -3.191 1.755 1.00 0.00 C ATOM 906 O GLU A 191 -0.786 -3.576 0.662 1.00 0.00 O ATOM 907 CB GLU A 191 -0.974 -4.833 3.558 1.00 0.00 C ATOM 908 CG GLU A 191 -1.233 -5.893 2.477 1.00 0.00 C ATOM 909 CD GLU A 191 -0.935 -7.280 3.036 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.063 -7.381 3.881 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.583 -8.220 2.609 1.00 0.00 O ATOM 0 H GLU A 191 -3.033 -3.903 2.133 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.869 -2.695 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.048 -4.930 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.636 -5.008 4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.269 -5.840 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.607 -5.699 1.606 1.00 0.00 H new ATOM 918 N PHE A 192 0.798 -2.575 1.906 1.00 0.00 N ATOM 919 CA PHE A 192 1.666 -2.322 0.758 1.00 0.00 C ATOM 920 C PHE A 192 3.123 -2.239 1.187 1.00 0.00 C ATOM 921 O PHE A 192 3.438 -1.767 2.279 1.00 0.00 O ATOM 922 CB PHE A 192 1.261 -1.030 0.043 1.00 0.00 C ATOM 923 CG PHE A 192 1.149 0.117 1.022 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.073 0.174 1.918 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.112 1.138 1.020 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.039 1.246 2.812 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.997 2.209 1.913 1.00 0.00 C ATOM 928 CZ PHE A 192 0.923 2.262 2.809 1.00 0.00 C ATOM 0 H PHE A 192 1.164 -2.245 2.799 1.00 0.00 H new ATOM 0 HA PHE A 192 1.552 -3.157 0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.997 -0.788 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.307 -1.174 -0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.670 -0.609 1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.941 1.097 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.868 1.289 3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.737 2.995 1.911 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.837 3.088 3.499 1.00 0.00 H new ATOM 938 N VAL A 193 4.012 -2.706 0.311 1.00 0.00 N ATOM 939 CA VAL A 193 5.451 -2.694 0.592 1.00 0.00 C ATOM 940 C VAL A 193 6.127 -1.531 -0.123 1.00 0.00 C ATOM 941 O VAL A 193 5.697 -1.115 -1.198 1.00 0.00 O ATOM 942 CB VAL A 193 6.089 -4.009 0.130 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.612 -3.941 0.311 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.532 -5.166 0.964 1.00 0.00 C ATOM 0 H VAL A 193 3.764 -3.097 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 193 5.587 -2.579 1.667 1.00 0.00 H new ATOM 0 HB VAL A 193 5.857 -4.169 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.060 -4.878 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.013 -3.119 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.846 -3.777 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.985 -6.102 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.763 -5.000 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.451 -5.221 0.834 1.00 0.00 H new ATOM 954 N CYS A 194 7.194 -1.015 0.484 1.00 0.00 N ATOM 955 CA CYS A 194 7.946 0.100 -0.093 1.00 0.00 C ATOM 956 C CYS A 194 9.382 -0.323 -0.380 1.00 0.00 C ATOM 957 O CYS A 194 9.915 -1.213 0.279 1.00 0.00 O ATOM 958 CB CYS A 194 7.955 1.282 0.877 1.00 0.00 C ATOM 959 SG CYS A 194 6.331 2.077 0.875 1.00 0.00 S ATOM 0 H CYS A 194 7.558 -1.351 1.376 1.00 0.00 H new ATOM 0 HA CYS A 194 7.464 0.396 -1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.203 0.940 1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.723 1.999 0.586 1.00 0.00 H new ATOM 964 N CYS A 195 10.010 0.320 -1.367 1.00 0.00 N ATOM 965 CA CYS A 195 11.392 -0.002 -1.730 1.00 0.00 C ATOM 966 C CYS A 195 12.168 1.279 -2.085 1.00 0.00 C ATOM 967 O CYS A 195 11.596 2.206 -2.655 1.00 0.00 O ATOM 968 CB CYS A 195 11.391 -0.963 -2.923 1.00 0.00 C ATOM 969 SG CYS A 195 11.006 -2.636 -2.339 1.00 0.00 S ATOM 0 H CYS A 195 9.587 1.061 -1.926 1.00 0.00 H new ATOM 0 HA CYS A 195 11.883 -0.476 -0.880 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.656 -0.644 -3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.363 -0.951 -3.416 1.00 0.00 H new ATOM 974 N PRO A 196 13.446 1.358 -1.762 1.00 0.00 N ATOM 975 CA PRO A 196 14.276 2.569 -2.061 1.00 0.00 C ATOM 976 C PRO A 196 14.662 2.659 -3.538 1.00 0.00 C ATOM 977 O PRO A 196 15.465 3.507 -3.925 1.00 0.00 O ATOM 978 CB PRO A 196 15.514 2.367 -1.181 1.00 0.00 C ATOM 979 CG PRO A 196 15.671 0.886 -1.101 1.00 0.00 C ATOM 980 CD PRO A 196 14.247 0.319 -1.079 1.00 0.00 C ATOM 0 HA PRO A 196 13.742 3.498 -1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.394 2.837 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.376 2.806 -0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.231 0.505 -1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.221 0.598 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.189 -0.638 -1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.899 0.150 -0.060 1.00 0.00 H new ATOM 988 N ASN A 197 14.090 1.781 -4.350 1.00 0.00 N ATOM 989 CA ASN A 197 14.386 1.774 -5.778 1.00 0.00 C ATOM 990 C ASN A 197 14.321 3.192 -6.342 1.00 0.00 C ATOM 991 O ASN A 197 13.221 3.679 -6.542 1.00 0.00 O ATOM 992 CB ASN A 197 13.376 0.879 -6.504 1.00 0.00 C ATOM 993 CG ASN A 197 13.742 -0.590 -6.324 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.844 -0.911 -5.883 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.871 -1.506 -6.647 1.00 0.00 N ATOM 996 OXT ASN A 197 15.373 3.769 -6.564 1.00 0.00 O ATOM 0 H ASN A 197 13.424 1.070 -4.049 1.00 0.00 H new ATOM 0 HA ASN A 197 15.393 1.385 -5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.374 1.061 -6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.356 1.128 -7.565 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.103 -2.493 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.958 -1.235 -7.012 1.00 0.00 H new TER 1003 ASN A 197