USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 419 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 146 HIS : no HD1:sc= -1.62 K(o=-0.58,f=-1.2!) USER MOD Set 1.2: A 172 SER OG : rot -55:sc= 1.04 USER MOD Set 2.1: A 171 CYS SG : rot 165:sc= -0.815 USER MOD Set 2.2: A 175 HIS : no HD1:sc= -0.42 X(o=-1.2,f=-1) USER MOD Set 3.1: A 127 CYS SG : rot -10:sc= -0.61 USER MOD Set 3.2: A 132 CYS SG : rot 180:sc= -0.329 USER MOD Set 3.3: A 149 CYS SG : rot 180:sc= -0.0829 USER MOD Set 3.4: A 152 HIS : no HD1:sc= -7.49! C(o=-8.5!,f=-9.3!) USER MOD Set 4.1: A 143 HIS : no HE2:sc= 0.424 K(o=0.96,f=-1.1) USER MOD Set 4.2: A 153 SER OG : rot -162:sc= 0.54 USER MOD Single : A 126 CYS SG : rot 2:sc= 0.0245 USER MOD Single : A 128 GLN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 131 ASN : amide:sc= -2.75 K(o=-2.7,f=-5.9!) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 TYR OH : rot 79:sc= 0.275 USER MOD Single : A 147 LYS NZ :NH3+ -146:sc= -0.289 (180deg=-1.34!) USER MOD Single : A 154 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0946) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl -157:sc= 0 (180deg=-0.325) USER MOD Single : A 165 GLN : amide:sc= -2.29 K(o=-2.3,f=-6.6!) USER MOD Single : A 168 CYS SG : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.53) USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 1.101 14.780 -6.720 1.00 0.00 N ATOM 2 CA ALA A 124 0.859 13.905 -5.542 1.00 0.00 C ATOM 3 C ALA A 124 0.249 12.574 -5.967 1.00 0.00 C ATOM 4 O ALA A 124 -0.544 12.514 -6.906 1.00 0.00 O ATOM 5 CB ALA A 124 -0.048 14.606 -4.543 1.00 0.00 C ATOM 0 HA ALA A 124 1.818 13.702 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.217 13.955 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.424 15.530 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -1.002 14.837 -5.017 1.00 0.00 H new ATOM 11 N ILE A 125 0.625 11.506 -5.268 1.00 0.00 N ATOM 12 CA ILE A 125 0.114 10.176 -5.572 1.00 0.00 C ATOM 13 C ILE A 125 -0.782 9.663 -4.450 1.00 0.00 C ATOM 14 O ILE A 125 -0.366 9.583 -3.295 1.00 0.00 O ATOM 15 CB ILE A 125 1.261 9.172 -5.796 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.281 9.743 -6.783 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.715 7.844 -6.298 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.601 9.004 -6.783 1.00 0.00 C ATOM 0 H ILE A 125 1.281 11.538 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.469 10.262 -6.489 1.00 0.00 H new ATOM 0 HB ILE A 125 1.762 8.998 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.858 9.715 -7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.460 10.791 -6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.539 7.146 -6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.024 7.433 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.191 7.999 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.275 9.463 -7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.046 9.054 -5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.434 7.961 -7.054 1.00 0.00 H new ATOM 30 N CYS A 126 -2.017 9.318 -4.798 1.00 0.00 N ATOM 31 CA CYS A 126 -2.974 8.813 -3.821 1.00 0.00 C ATOM 32 C CYS A 126 -2.747 7.328 -3.555 1.00 0.00 C ATOM 33 O CYS A 126 -2.349 6.581 -4.447 1.00 0.00 O ATOM 34 CB CYS A 126 -4.404 9.043 -4.311 1.00 0.00 C ATOM 35 SG CYS A 126 -5.574 9.466 -2.997 1.00 0.00 S ATOM 0 H CYS A 126 -2.379 9.379 -5.750 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.825 9.357 -2.888 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.399 9.844 -5.051 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.753 8.143 -4.818 1.00 0.00 H new ATOM 0 HG CYS A 126 -4.947 9.524 -1.860 1.00 0.00 H new ATOM 41 N CYS A 127 -3.007 6.909 -2.320 1.00 0.00 N ATOM 42 CA CYS A 127 -2.833 5.512 -1.932 1.00 0.00 C ATOM 43 C CYS A 127 -3.666 4.592 -2.817 1.00 0.00 C ATOM 44 O CYS A 127 -4.830 4.876 -3.105 1.00 0.00 O ATOM 45 CB CYS A 127 -3.222 5.319 -0.465 1.00 0.00 C ATOM 46 SG CYS A 127 -2.814 3.689 0.200 1.00 0.00 S ATOM 0 H CYS A 127 -3.339 7.516 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.782 5.253 -2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.722 6.080 0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.294 5.484 -0.360 1.00 0.00 H new ATOM 0 HG CYS A 127 -2.450 2.903 -0.770 1.00 0.00 H new ATOM 51 N GLN A 128 -3.066 3.485 -3.245 1.00 0.00 N ATOM 52 CA GLN A 128 -3.753 2.519 -4.095 1.00 0.00 C ATOM 53 C GLN A 128 -5.014 1.995 -3.416 1.00 0.00 C ATOM 54 O GLN A 128 -6.024 1.740 -4.070 1.00 0.00 O ATOM 55 CB GLN A 128 -2.822 1.356 -4.438 1.00 0.00 C ATOM 56 CG GLN A 128 -1.780 1.699 -5.490 1.00 0.00 C ATOM 57 CD GLN A 128 -1.514 0.551 -6.444 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.276 0.320 -7.384 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.427 -0.175 -6.208 1.00 0.00 N ATOM 0 H GLN A 128 -2.104 3.235 -3.016 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.043 3.025 -5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -2.315 1.028 -3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -3.419 0.516 -4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.114 2.568 -6.057 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -0.849 1.979 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 128 0.176 0.052 -5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -0.196 -0.960 -6.817 1.00 0.00 H new ATOM 68 N VAL A 129 -4.947 1.837 -2.097 1.00 0.00 N ATOM 69 CA VAL A 129 -6.083 1.343 -1.328 1.00 0.00 C ATOM 70 C VAL A 129 -7.297 2.252 -1.495 1.00 0.00 C ATOM 71 O VAL A 129 -7.222 3.455 -1.245 1.00 0.00 O ATOM 72 CB VAL A 129 -5.740 1.229 0.169 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.868 0.547 0.927 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.429 0.480 0.361 1.00 0.00 C ATOM 0 H VAL A 129 -4.118 2.044 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.321 0.352 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.620 2.235 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.606 0.476 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.783 1.129 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.024 -0.454 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -4.203 0.409 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.518 -0.522 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.626 1.016 -0.146 1.00 0.00 H new ATOM 84 N ASP A 130 -8.414 1.668 -1.919 1.00 0.00 N ATOM 85 CA ASP A 130 -9.645 2.424 -2.122 1.00 0.00 C ATOM 86 C ASP A 130 -10.080 3.119 -0.835 1.00 0.00 C ATOM 87 O ASP A 130 -10.111 4.346 -0.759 1.00 0.00 O ATOM 88 CB ASP A 130 -10.757 1.501 -2.624 1.00 0.00 C ATOM 89 CG ASP A 130 -11.076 1.723 -4.090 1.00 0.00 C ATOM 90 OD1 ASP A 130 -10.294 1.254 -4.944 1.00 0.00 O ATOM 91 OD2 ASP A 130 -12.105 2.364 -4.384 1.00 0.00 O ATOM 0 H ASP A 130 -8.492 0.673 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.452 3.189 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.460 0.463 -2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.657 1.665 -2.031 1.00 0.00 H new ATOM 96 N ASN A 131 -10.420 2.323 0.174 1.00 0.00 N ATOM 97 CA ASN A 131 -10.856 2.861 1.458 1.00 0.00 C ATOM 98 C ASN A 131 -9.693 3.517 2.197 1.00 0.00 C ATOM 99 O ASN A 131 -9.269 3.046 3.253 1.00 0.00 O ATOM 100 CB ASN A 131 -11.463 1.751 2.319 1.00 0.00 C ATOM 101 CG ASN A 131 -10.540 0.556 2.458 1.00 0.00 C ATOM 102 OD1 ASN A 131 -9.318 0.696 2.431 1.00 0.00 O ATOM 103 ND2 ASN A 131 -11.122 -0.629 2.608 1.00 0.00 N ATOM 0 H ASN A 131 -10.402 1.304 0.127 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.615 3.620 1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.692 2.147 3.309 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.406 1.428 1.879 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -10.551 -1.469 2.706 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.139 -0.699 2.625 1.00 0.00 H new ATOM 110 N CYS A 132 -9.179 4.607 1.635 1.00 0.00 N ATOM 111 CA CYS A 132 -8.065 5.327 2.240 1.00 0.00 C ATOM 112 C CYS A 132 -7.988 6.756 1.713 1.00 0.00 C ATOM 113 O CYS A 132 -8.207 7.714 2.455 1.00 0.00 O ATOM 114 CB CYS A 132 -6.750 4.598 1.961 1.00 0.00 C ATOM 115 SG CYS A 132 -5.345 5.215 2.918 1.00 0.00 S ATOM 0 H CYS A 132 -9.517 5.011 0.761 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.232 5.365 3.316 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -6.883 3.537 2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.518 4.683 0.899 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.280 4.534 2.614 1.00 0.00 H new ATOM 120 N GLY A 133 -7.675 6.892 0.428 1.00 0.00 N ATOM 121 CA GLY A 133 -7.575 8.207 -0.174 1.00 0.00 C ATOM 122 C GLY A 133 -6.531 9.076 0.501 1.00 0.00 C ATOM 123 O GLY A 133 -6.691 10.293 0.591 1.00 0.00 O ATOM 0 H GLY A 133 -7.489 6.115 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.328 8.102 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.545 8.702 -0.121 1.00 0.00 H new ATOM 127 N ALA A 134 -5.461 8.448 0.978 1.00 0.00 N ATOM 128 CA ALA A 134 -4.388 9.170 1.650 1.00 0.00 C ATOM 129 C ALA A 134 -3.465 9.847 0.643 1.00 0.00 C ATOM 130 O ALA A 134 -3.303 9.374 -0.482 1.00 0.00 O ATOM 131 CB ALA A 134 -3.597 8.225 2.541 1.00 0.00 C ATOM 0 H ALA A 134 -5.314 7.441 0.911 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.838 9.947 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.798 8.776 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.259 7.792 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.166 7.429 1.934 1.00 0.00 H new ATOM 137 N ASP A 135 -2.862 10.957 1.055 1.00 0.00 N ATOM 138 CA ASP A 135 -1.954 11.702 0.189 1.00 0.00 C ATOM 139 C ASP A 135 -0.509 11.276 0.425 1.00 0.00 C ATOM 140 O ASP A 135 -0.080 11.100 1.565 1.00 0.00 O ATOM 141 CB ASP A 135 -2.101 13.205 0.434 1.00 0.00 C ATOM 142 CG ASP A 135 -1.897 14.018 -0.829 1.00 0.00 C ATOM 143 OD1 ASP A 135 -2.282 13.535 -1.916 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.353 15.138 -0.732 1.00 0.00 O ATOM 0 H ASP A 135 -2.985 11.361 1.983 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.215 11.483 -0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.092 13.409 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.378 13.520 1.187 1.00 0.00 H new ATOM 149 N LEU A 136 0.239 11.112 -0.663 1.00 0.00 N ATOM 150 CA LEU A 136 1.637 10.708 -0.575 1.00 0.00 C ATOM 151 C LEU A 136 2.558 11.838 -1.020 1.00 0.00 C ATOM 152 O LEU A 136 3.582 11.603 -1.664 1.00 0.00 O ATOM 153 CB LEU A 136 1.883 9.465 -1.432 1.00 0.00 C ATOM 154 CG LEU A 136 1.018 8.255 -1.081 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.179 7.162 -2.126 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.375 7.730 0.302 1.00 0.00 C ATOM 0 H LEU A 136 -0.100 11.253 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 136 1.858 10.473 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.712 9.723 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.932 9.181 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.026 8.568 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.556 6.309 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.875 7.543 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.222 6.850 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.750 6.868 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.424 7.433 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.208 8.512 1.042 1.00 0.00 H new ATOM 168 N SER A 137 2.191 13.067 -0.671 1.00 0.00 N ATOM 169 CA SER A 137 2.984 14.234 -1.033 1.00 0.00 C ATOM 170 C SER A 137 3.930 14.626 0.100 1.00 0.00 C ATOM 171 O SER A 137 4.967 15.246 -0.133 1.00 0.00 O ATOM 172 CB SER A 137 2.070 15.410 -1.378 1.00 0.00 C ATOM 173 OG SER A 137 2.824 16.571 -1.686 1.00 0.00 O ATOM 0 H SER A 137 1.348 13.280 -0.137 1.00 0.00 H new ATOM 0 HA SER A 137 3.582 13.977 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.439 15.147 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.406 15.616 -0.539 1.00 0.00 H new ATOM 0 HG SER A 137 2.216 17.308 -1.904 1.00 0.00 H new ATOM 179 N LYS A 138 3.565 14.261 1.325 1.00 0.00 N ATOM 180 CA LYS A 138 4.382 14.578 2.490 1.00 0.00 C ATOM 181 C LYS A 138 5.280 13.402 2.864 1.00 0.00 C ATOM 182 O LYS A 138 5.494 13.123 4.046 1.00 0.00 O ATOM 183 CB LYS A 138 3.492 14.952 3.677 1.00 0.00 C ATOM 184 CG LYS A 138 4.133 15.949 4.628 1.00 0.00 C ATOM 185 CD LYS A 138 3.894 15.566 6.082 1.00 0.00 C ATOM 186 CE LYS A 138 4.930 16.193 7.002 1.00 0.00 C ATOM 187 NZ LYS A 138 4.317 17.171 7.943 1.00 0.00 N ATOM 0 H LYS A 138 2.710 13.746 1.536 1.00 0.00 H new ATOM 0 HA LYS A 138 5.015 15.428 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.557 15.369 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.238 14.047 4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.205 16.000 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.728 16.944 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.897 15.886 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 138 3.925 14.481 6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.433 15.410 7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.692 16.693 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.056 17.576 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 3.858 17.932 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.608 16.689 8.532 1.00 0.00 H new ATOM 201 N VAL A 139 5.806 12.717 1.854 1.00 0.00 N ATOM 202 CA VAL A 139 6.682 11.575 2.080 1.00 0.00 C ATOM 203 C VAL A 139 7.990 11.726 1.312 1.00 0.00 C ATOM 204 O VAL A 139 8.133 12.624 0.481 1.00 0.00 O ATOM 205 CB VAL A 139 6.005 10.253 1.665 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.926 9.868 2.665 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.426 10.366 0.262 1.00 0.00 C ATOM 0 H VAL A 139 5.640 12.934 0.871 1.00 0.00 H new ATOM 0 HA VAL A 139 6.892 11.545 3.149 1.00 0.00 H new ATOM 0 HB VAL A 139 6.760 9.467 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.460 8.933 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 139 5.372 9.742 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 139 4.171 10.653 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.953 9.424 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.685 11.165 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.225 10.590 -0.444 1.00 0.00 H new ATOM 217 N LYS A 140 8.943 10.845 1.595 1.00 0.00 N ATOM 218 CA LYS A 140 10.241 10.883 0.931 1.00 0.00 C ATOM 219 C LYS A 140 10.296 9.883 -0.219 1.00 0.00 C ATOM 220 O LYS A 140 10.143 10.251 -1.384 1.00 0.00 O ATOM 221 CB LYS A 140 11.359 10.591 1.935 1.00 0.00 C ATOM 222 CG LYS A 140 11.857 11.827 2.668 1.00 0.00 C ATOM 223 CD LYS A 140 13.239 12.246 2.188 1.00 0.00 C ATOM 224 CE LYS A 140 14.135 12.645 3.349 1.00 0.00 C ATOM 225 NZ LYS A 140 15.411 13.255 2.883 1.00 0.00 N ATOM 0 H LYS A 140 8.841 10.096 2.280 1.00 0.00 H new ATOM 0 HA LYS A 140 10.383 11.883 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 140 11.000 9.866 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 140 12.195 10.128 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 140 11.155 12.647 2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.889 11.627 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 140 13.699 11.425 1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 140 13.146 13.082 1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 140 13.607 13.352 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 140 14.353 11.767 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 15.993 13.513 3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 15.928 12.571 2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 15.205 14.107 2.324 1.00 0.00 H new ATOM 239 N ASP A 141 10.517 8.618 0.116 1.00 0.00 N ATOM 240 CA ASP A 141 10.593 7.561 -0.887 1.00 0.00 C ATOM 241 C ASP A 141 9.869 6.307 -0.410 1.00 0.00 C ATOM 242 O ASP A 141 9.307 6.281 0.685 1.00 0.00 O ATOM 243 CB ASP A 141 12.054 7.235 -1.202 1.00 0.00 C ATOM 244 CG ASP A 141 12.577 8.013 -2.393 1.00 0.00 C ATOM 245 OD1 ASP A 141 11.848 8.113 -3.403 1.00 0.00 O ATOM 246 OD2 ASP A 141 13.714 8.523 -2.316 1.00 0.00 O ATOM 0 H ASP A 141 10.647 8.298 1.076 1.00 0.00 H new ATOM 0 HA ASP A 141 10.104 7.916 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 141 12.669 7.456 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 141 12.151 6.167 -1.398 1.00 0.00 H new ATOM 251 N TYR A 142 9.888 5.267 -1.238 1.00 0.00 N ATOM 252 CA TYR A 142 9.235 4.004 -0.904 1.00 0.00 C ATOM 253 C TYR A 142 7.716 4.160 -0.910 1.00 0.00 C ATOM 254 O TYR A 142 7.026 3.565 -1.737 1.00 0.00 O ATOM 255 CB TYR A 142 9.703 3.502 0.463 1.00 0.00 C ATOM 256 CG TYR A 142 9.846 1.998 0.540 1.00 0.00 C ATOM 257 CD1 TYR A 142 8.794 1.162 0.189 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.035 1.416 0.963 1.00 0.00 C ATOM 259 CE1 TYR A 142 8.922 -0.213 0.257 1.00 0.00 C ATOM 260 CE2 TYR A 142 11.170 0.042 1.034 1.00 0.00 C ATOM 261 CZ TYR A 142 10.110 -0.767 0.681 1.00 0.00 C ATOM 262 OH TYR A 142 10.241 -2.135 0.751 1.00 0.00 O ATOM 0 H TYR A 142 10.350 5.273 -2.148 1.00 0.00 H new ATOM 0 HA TYR A 142 9.512 3.272 -1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 142 10.662 3.962 0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 142 8.994 3.831 1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 142 7.861 1.593 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 142 11.866 2.047 1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 142 8.095 -0.850 -0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 142 12.101 -0.396 1.364 1.00 0.00 H new ATOM 0 HH TYR A 142 10.403 -2.494 -0.146 1.00 0.00 H new ATOM 272 N HIS A 143 7.204 4.964 0.017 1.00 0.00 N ATOM 273 CA HIS A 143 5.767 5.198 0.116 1.00 0.00 C ATOM 274 C HIS A 143 5.340 6.350 -0.789 1.00 0.00 C ATOM 275 O HIS A 143 4.692 7.296 -0.343 1.00 0.00 O ATOM 276 CB HIS A 143 5.377 5.495 1.565 1.00 0.00 C ATOM 277 CG HIS A 143 5.822 4.442 2.532 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.474 4.732 3.713 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.705 3.094 2.492 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.739 3.607 4.355 1.00 0.00 C ATOM 281 NE2 HIS A 143 6.283 2.600 3.635 1.00 0.00 N ATOM 0 H HIS A 143 7.762 5.464 0.709 1.00 0.00 H new ATOM 0 HA HIS A 143 5.252 4.295 -0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.807 6.452 1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.294 5.599 1.627 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.714 5.668 4.040 1.00 0.00 H new ATOM 0 HD2 HIS A 143 5.243 2.515 1.707 1.00 0.00 H new ATOM 0 HE1 HIS A 143 7.243 3.526 5.307 1.00 0.00 H new ATOM 289 N ARG A 144 5.709 6.262 -2.063 1.00 0.00 N ATOM 290 CA ARG A 144 5.365 7.295 -3.034 1.00 0.00 C ATOM 291 C ARG A 144 5.268 6.706 -4.437 1.00 0.00 C ATOM 292 O ARG A 144 4.208 6.735 -5.061 1.00 0.00 O ATOM 293 CB ARG A 144 6.406 8.415 -3.009 1.00 0.00 C ATOM 294 CG ARG A 144 6.064 9.582 -3.920 1.00 0.00 C ATOM 295 CD ARG A 144 6.669 9.405 -5.304 1.00 0.00 C ATOM 296 NE ARG A 144 6.555 10.616 -6.110 1.00 0.00 N ATOM 297 CZ ARG A 144 6.703 10.644 -7.434 1.00 0.00 C ATOM 298 NH1 ARG A 144 6.971 9.529 -8.101 1.00 0.00 N ATOM 299 NH2 ARG A 144 6.584 11.789 -8.090 1.00 0.00 N ATOM 0 H ARG A 144 6.247 5.485 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 144 4.393 7.707 -2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.510 8.780 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 144 7.374 8.007 -3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 144 4.981 9.674 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 144 6.429 10.509 -3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 144 7.720 9.131 -5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 144 6.170 8.581 -5.815 1.00 0.00 H new ATOM 0 HE ARG A 144 6.350 11.493 -5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 144 7.065 8.645 -7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 144 7.083 9.555 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 144 6.379 12.649 -7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 144 6.697 11.810 -9.103 1.00 0.00 H new ATOM 313 N ARG A 145 6.381 6.167 -4.923 1.00 0.00 N ATOM 314 CA ARG A 145 6.423 5.566 -6.251 1.00 0.00 C ATOM 315 C ARG A 145 5.585 4.293 -6.291 1.00 0.00 C ATOM 316 O ARG A 145 4.968 3.974 -7.308 1.00 0.00 O ATOM 317 CB ARG A 145 7.868 5.259 -6.650 1.00 0.00 C ATOM 318 CG ARG A 145 8.400 6.165 -7.749 1.00 0.00 C ATOM 319 CD ARG A 145 9.809 5.774 -8.165 1.00 0.00 C ATOM 320 NE ARG A 145 9.923 5.589 -9.609 1.00 0.00 N ATOM 321 CZ ARG A 145 9.527 4.491 -10.250 1.00 0.00 C ATOM 322 NH1 ARG A 145 8.996 3.477 -9.576 1.00 0.00 N ATOM 323 NH2 ARG A 145 9.661 4.404 -11.566 1.00 0.00 N ATOM 0 H ARG A 145 7.266 6.134 -4.417 1.00 0.00 H new ATOM 0 HA ARG A 145 6.005 6.278 -6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.507 5.353 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 145 7.933 4.223 -6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 145 7.738 6.116 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 145 8.396 7.199 -7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 145 10.509 6.545 -7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.094 4.852 -7.658 1.00 0.00 H new ATOM 0 HE ARG A 145 10.330 6.345 -10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 145 8.890 3.537 -8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 145 8.694 2.638 -10.071 1.00 0.00 H new ATOM 0 HH21 ARG A 145 10.068 5.179 -12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 145 9.357 3.562 -12.055 1.00 0.00 H new ATOM 337 N HIS A 146 5.567 3.568 -5.177 1.00 0.00 N ATOM 338 CA HIS A 146 4.803 2.330 -5.080 1.00 0.00 C ATOM 339 C HIS A 146 3.320 2.612 -4.850 1.00 0.00 C ATOM 340 O HIS A 146 2.483 1.720 -4.994 1.00 0.00 O ATOM 341 CB HIS A 146 5.350 1.459 -3.946 1.00 0.00 C ATOM 342 CG HIS A 146 6.813 1.168 -4.066 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.565 0.649 -3.032 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.665 1.323 -5.107 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.815 0.501 -3.431 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.902 0.900 -4.686 1.00 0.00 N ATOM 0 H HIS A 146 6.074 3.817 -4.328 1.00 0.00 H new ATOM 0 HA HIS A 146 4.906 1.797 -6.025 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.164 1.957 -2.995 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.801 0.517 -3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.418 1.707 -6.086 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.628 0.118 -2.832 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.751 0.895 -5.252 1.00 0.00 H new ATOM 354 N LYS A 147 3.000 3.853 -4.491 1.00 0.00 N ATOM 355 CA LYS A 147 1.616 4.246 -4.242 1.00 0.00 C ATOM 356 C LYS A 147 1.048 3.505 -3.037 1.00 0.00 C ATOM 357 O LYS A 147 0.342 2.506 -3.183 1.00 0.00 O ATOM 358 CB LYS A 147 0.753 3.978 -5.477 1.00 0.00 C ATOM 359 CG LYS A 147 1.254 4.677 -6.731 1.00 0.00 C ATOM 360 CD LYS A 147 1.496 3.691 -7.863 1.00 0.00 C ATOM 361 CE LYS A 147 1.174 4.307 -9.216 1.00 0.00 C ATOM 362 NZ LYS A 147 -0.207 4.858 -9.260 1.00 0.00 N ATOM 0 H LYS A 147 3.680 4.603 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 147 1.603 5.315 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.717 2.904 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.268 4.301 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.526 5.424 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 147 2.179 5.209 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 147 2.536 3.366 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 147 0.883 2.803 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 147 1.889 5.101 -9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 147 1.289 3.553 -9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 -0.599 4.736 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 -0.804 4.354 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 -0.185 5.870 -9.022 1.00 0.00 H new ATOM 376 N VAL A 148 1.360 4.003 -1.844 1.00 0.00 N ATOM 377 CA VAL A 148 0.881 3.390 -0.610 1.00 0.00 C ATOM 378 C VAL A 148 1.362 4.174 0.609 1.00 0.00 C ATOM 379 O VAL A 148 2.536 4.533 0.706 1.00 0.00 O ATOM 380 CB VAL A 148 1.350 1.926 -0.489 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.869 1.849 -0.449 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.743 1.268 0.742 1.00 0.00 C ATOM 0 H VAL A 148 1.942 4.829 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.208 3.408 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 148 1.006 1.383 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.178 0.807 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.279 2.275 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.239 2.409 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 148 1.086 0.236 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.052 1.812 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.344 1.285 0.665 1.00 0.00 H new ATOM 392 N CYS A 149 0.446 4.440 1.536 1.00 0.00 N ATOM 393 CA CYS A 149 0.780 5.185 2.744 1.00 0.00 C ATOM 394 C CYS A 149 1.635 4.339 3.687 1.00 0.00 C ATOM 395 O CYS A 149 2.075 3.247 3.328 1.00 0.00 O ATOM 396 CB CYS A 149 -0.497 5.650 3.450 1.00 0.00 C ATOM 397 SG CYS A 149 -1.567 4.307 4.018 1.00 0.00 S ATOM 0 H CYS A 149 -0.530 4.151 1.473 1.00 0.00 H new ATOM 0 HA CYS A 149 1.360 6.062 2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.221 6.265 4.306 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.063 6.286 2.770 1.00 0.00 H new ATOM 0 HG CYS A 149 -2.616 4.805 4.602 1.00 0.00 H new ATOM 402 N GLU A 150 1.876 4.855 4.890 1.00 0.00 N ATOM 403 CA GLU A 150 2.689 4.150 5.881 1.00 0.00 C ATOM 404 C GLU A 150 1.859 3.149 6.688 1.00 0.00 C ATOM 405 O GLU A 150 2.346 2.575 7.662 1.00 0.00 O ATOM 406 CB GLU A 150 3.350 5.151 6.825 1.00 0.00 C ATOM 407 CG GLU A 150 4.684 5.677 6.320 1.00 0.00 C ATOM 408 CD GLU A 150 5.130 6.931 7.048 1.00 0.00 C ATOM 409 OE1 GLU A 150 4.436 7.963 6.932 1.00 0.00 O ATOM 410 OE2 GLU A 150 6.173 6.881 7.732 1.00 0.00 O ATOM 0 H GLU A 150 1.521 5.758 5.203 1.00 0.00 H new ATOM 0 HA GLU A 150 3.455 3.593 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.674 5.991 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.500 4.678 7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 150 5.443 4.904 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.607 5.889 5.254 1.00 0.00 H new ATOM 417 N ILE A 151 0.612 2.945 6.282 1.00 0.00 N ATOM 418 CA ILE A 151 -0.276 2.018 6.971 1.00 0.00 C ATOM 419 C ILE A 151 -0.435 0.720 6.181 1.00 0.00 C ATOM 420 O ILE A 151 0.031 -0.336 6.607 1.00 0.00 O ATOM 421 CB ILE A 151 -1.668 2.641 7.199 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.534 3.999 7.890 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.545 1.706 8.019 1.00 0.00 C ATOM 424 CD1 ILE A 151 -0.875 3.922 9.249 1.00 0.00 C ATOM 0 H ILE A 151 0.192 3.410 5.477 1.00 0.00 H new ATOM 0 HA ILE A 151 0.180 1.799 7.937 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.144 2.791 6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -0.955 4.667 7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -2.524 4.441 8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.523 2.163 8.169 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.664 0.761 7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.077 1.524 8.986 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -0.813 4.921 9.680 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.465 3.280 9.903 1.00 0.00 H new ATOM 0 HD13 ILE A 151 0.128 3.509 9.144 1.00 0.00 H new ATOM 436 N HIS A 152 -1.096 0.808 5.031 1.00 0.00 N ATOM 437 CA HIS A 152 -1.314 -0.359 4.184 1.00 0.00 C ATOM 438 C HIS A 152 0.010 -0.932 3.688 1.00 0.00 C ATOM 439 O HIS A 152 0.101 -2.115 3.361 1.00 0.00 O ATOM 440 CB HIS A 152 -2.204 0.006 2.993 1.00 0.00 C ATOM 441 CG HIS A 152 -3.583 0.433 3.388 1.00 0.00 C ATOM 442 ND1 HIS A 152 -4.040 1.726 3.247 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.610 -0.268 3.925 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.283 1.805 3.683 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.654 0.607 4.098 1.00 0.00 N ATOM 0 H HIS A 152 -1.490 1.675 4.665 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.814 -1.120 4.783 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.731 0.810 2.429 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -2.275 -0.853 2.326 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.608 -1.320 4.171 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.893 2.696 3.698 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.568 0.370 4.484 1.00 0.00 H new ATOM 452 N SER A 153 1.036 -0.086 3.635 1.00 0.00 N ATOM 453 CA SER A 153 2.356 -0.512 3.179 1.00 0.00 C ATOM 454 C SER A 153 2.872 -1.680 4.014 1.00 0.00 C ATOM 455 O SER A 153 3.627 -2.520 3.525 1.00 0.00 O ATOM 456 CB SER A 153 3.342 0.655 3.249 1.00 0.00 C ATOM 457 OG SER A 153 4.671 0.214 3.023 1.00 0.00 O ATOM 0 H SER A 153 0.979 0.897 3.902 1.00 0.00 H new ATOM 0 HA SER A 153 2.266 -0.843 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.074 1.407 2.507 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.275 1.134 4.226 1.00 0.00 H new ATOM 0 HG SER A 153 5.300 0.890 3.351 1.00 0.00 H new ATOM 463 N LYS A 154 2.459 -1.727 5.278 1.00 0.00 N ATOM 464 CA LYS A 154 2.880 -2.792 6.180 1.00 0.00 C ATOM 465 C LYS A 154 1.718 -3.259 7.050 1.00 0.00 C ATOM 466 O LYS A 154 1.900 -3.599 8.219 1.00 0.00 O ATOM 467 CB LYS A 154 4.034 -2.315 7.064 1.00 0.00 C ATOM 468 CG LYS A 154 5.296 -1.979 6.288 1.00 0.00 C ATOM 469 CD LYS A 154 6.224 -1.083 7.093 1.00 0.00 C ATOM 470 CE LYS A 154 7.359 -1.877 7.720 1.00 0.00 C ATOM 471 NZ LYS A 154 6.886 -2.725 8.847 1.00 0.00 N ATOM 0 H LYS A 154 1.834 -1.040 5.699 1.00 0.00 H new ATOM 0 HA LYS A 154 3.219 -3.633 5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.714 -1.434 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 154 4.263 -3.089 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.817 -2.899 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.029 -1.483 5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 154 6.635 -0.308 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 154 5.656 -0.578 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.824 -2.507 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 154 8.127 -1.191 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 7.704 -3.144 9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 6.347 -2.141 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 6.276 -3.483 8.479 1.00 0.00 H new ATOM 485 N ALA A 155 0.521 -3.273 6.471 1.00 0.00 N ATOM 486 CA ALA A 155 -0.673 -3.699 7.194 1.00 0.00 C ATOM 487 C ALA A 155 -0.981 -5.169 6.926 1.00 0.00 C ATOM 488 O ALA A 155 -0.205 -5.866 6.273 1.00 0.00 O ATOM 489 CB ALA A 155 -1.860 -2.829 6.813 1.00 0.00 C ATOM 0 H ALA A 155 0.352 -2.995 5.504 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.483 -3.584 8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.743 -3.159 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.645 -1.790 7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -2.044 -2.914 5.742 1.00 0.00 H new ATOM 495 N THR A 156 -2.119 -5.632 7.431 1.00 0.00 N ATOM 496 CA THR A 156 -2.529 -7.018 7.244 1.00 0.00 C ATOM 497 C THR A 156 -3.410 -7.169 6.010 1.00 0.00 C ATOM 498 O THR A 156 -3.349 -8.178 5.309 1.00 0.00 O ATOM 499 CB THR A 156 -3.290 -7.551 8.472 1.00 0.00 C ATOM 500 OG1 THR A 156 -4.032 -6.489 9.088 1.00 0.00 O ATOM 501 CG2 THR A 156 -2.329 -8.155 9.484 1.00 0.00 C ATOM 0 H THR A 156 -2.774 -5.068 7.973 1.00 0.00 H new ATOM 0 HA THR A 156 -1.618 -7.601 7.110 1.00 0.00 H new ATOM 0 HB THR A 156 -3.977 -8.328 8.137 1.00 0.00 H new ATOM 0 HG1 THR A 156 -4.515 -6.836 9.867 1.00 0.00 H new ATOM 0 HG21 THR A 156 -2.890 -8.525 10.343 1.00 0.00 H new ATOM 0 HG22 THR A 156 -1.786 -8.980 9.023 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.621 -7.394 9.813 1.00 0.00 H new ATOM 509 N THR A 157 -4.233 -6.157 5.750 1.00 0.00 N ATOM 510 CA THR A 157 -5.127 -6.176 4.599 1.00 0.00 C ATOM 511 C THR A 157 -5.200 -4.805 3.936 1.00 0.00 C ATOM 512 O THR A 157 -4.860 -3.791 4.545 1.00 0.00 O ATOM 513 CB THR A 157 -6.548 -6.614 4.999 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.853 -6.145 6.317 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.680 -8.129 4.952 1.00 0.00 C ATOM 0 H THR A 157 -4.298 -5.314 6.321 1.00 0.00 H new ATOM 0 HA THR A 157 -4.716 -6.898 3.893 1.00 0.00 H new ATOM 0 HB THR A 157 -7.251 -6.181 4.288 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.759 -6.426 6.563 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.692 -8.415 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.476 -8.481 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.967 -8.578 5.643 1.00 0.00 H new ATOM 523 N ALA A 158 -5.645 -4.782 2.683 1.00 0.00 N ATOM 524 CA ALA A 158 -5.762 -3.535 1.936 1.00 0.00 C ATOM 525 C ALA A 158 -6.688 -3.699 0.736 1.00 0.00 C ATOM 526 O ALA A 158 -6.493 -4.586 -0.094 1.00 0.00 O ATOM 527 CB ALA A 158 -4.389 -3.061 1.485 1.00 0.00 C ATOM 0 H ALA A 158 -5.930 -5.613 2.164 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.196 -2.783 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.490 -2.129 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.757 -2.896 2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -3.935 -3.818 0.846 1.00 0.00 H new ATOM 533 N LEU A 159 -7.698 -2.839 0.654 1.00 0.00 N ATOM 534 CA LEU A 159 -8.655 -2.888 -0.444 1.00 0.00 C ATOM 535 C LEU A 159 -8.124 -2.138 -1.662 1.00 0.00 C ATOM 536 O LEU A 159 -8.186 -0.910 -1.723 1.00 0.00 O ATOM 537 CB LEU A 159 -9.994 -2.288 -0.007 1.00 0.00 C ATOM 538 CG LEU A 159 -11.216 -2.805 -0.768 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.015 -2.653 -2.268 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.490 -4.260 -0.411 1.00 0.00 C ATOM 0 H LEU A 159 -7.874 -2.100 1.335 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.803 -3.933 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.135 -2.489 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.944 -1.205 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.081 -2.209 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.895 -3.026 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -10.867 -1.601 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.139 -3.223 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.363 -4.612 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.625 -4.869 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.679 -4.343 0.659 1.00 0.00 H new ATOM 552 N VAL A 160 -7.604 -2.885 -2.631 1.00 0.00 N ATOM 553 CA VAL A 160 -7.063 -2.290 -3.848 1.00 0.00 C ATOM 554 C VAL A 160 -7.649 -2.953 -5.090 1.00 0.00 C ATOM 555 O VAL A 160 -7.704 -4.180 -5.184 1.00 0.00 O ATOM 556 CB VAL A 160 -5.526 -2.403 -3.894 1.00 0.00 C ATOM 557 CG1 VAL A 160 -4.971 -1.653 -5.096 1.00 0.00 C ATOM 558 CG2 VAL A 160 -4.912 -1.881 -2.605 1.00 0.00 C ATOM 0 H VAL A 160 -7.546 -3.903 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.341 -1.236 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.262 -3.456 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.885 -1.744 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.384 -2.076 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.246 -0.601 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.827 -1.969 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.185 -0.834 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.283 -2.465 -1.763 1.00 0.00 H new ATOM 568 N GLY A 161 -8.084 -2.135 -6.042 1.00 0.00 N ATOM 569 CA GLY A 161 -8.659 -2.659 -7.267 1.00 0.00 C ATOM 570 C GLY A 161 -9.860 -3.547 -7.011 1.00 0.00 C ATOM 571 O GLY A 161 -10.055 -4.552 -7.696 1.00 0.00 O ATOM 0 H GLY A 161 -8.049 -1.117 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -8.955 -1.830 -7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -7.901 -3.226 -7.807 1.00 0.00 H new ATOM 575 N GLY A 162 -10.667 -3.179 -6.020 1.00 0.00 N ATOM 576 CA GLY A 162 -11.844 -3.961 -5.692 1.00 0.00 C ATOM 577 C GLY A 162 -11.499 -5.359 -5.216 1.00 0.00 C ATOM 578 O GLY A 162 -12.312 -6.276 -5.321 1.00 0.00 O ATOM 0 H GLY A 162 -10.526 -2.353 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.413 -3.447 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.488 -4.028 -6.569 1.00 0.00 H new ATOM 582 N ILE A 163 -10.289 -5.521 -4.689 1.00 0.00 N ATOM 583 CA ILE A 163 -9.838 -6.817 -4.194 1.00 0.00 C ATOM 584 C ILE A 163 -8.874 -6.653 -3.025 1.00 0.00 C ATOM 585 O ILE A 163 -8.031 -5.755 -3.023 1.00 0.00 O ATOM 586 CB ILE A 163 -9.148 -7.634 -5.302 1.00 0.00 C ATOM 587 CG1 ILE A 163 -10.013 -7.655 -6.565 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.868 -9.050 -4.821 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.390 -8.420 -7.712 1.00 0.00 C ATOM 0 H ILE A 163 -9.604 -4.771 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.726 -7.353 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.197 -7.159 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.980 -8.098 -6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.202 -6.630 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.380 -9.614 -5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.216 -9.016 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.807 -9.536 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.058 -8.393 -8.573 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.436 -7.964 -7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -9.226 -9.455 -7.413 1.00 0.00 H new ATOM 601 N MET A 164 -9.004 -7.525 -2.031 1.00 0.00 N ATOM 602 CA MET A 164 -8.142 -7.475 -0.854 1.00 0.00 C ATOM 603 C MET A 164 -6.795 -8.131 -1.137 1.00 0.00 C ATOM 604 O MET A 164 -6.731 -9.295 -1.533 1.00 0.00 O ATOM 605 CB MET A 164 -8.822 -8.167 0.329 1.00 0.00 C ATOM 606 CG MET A 164 -9.718 -7.246 1.141 1.00 0.00 C ATOM 607 SD MET A 164 -8.811 -5.877 1.887 1.00 0.00 S ATOM 608 CE MET A 164 -10.013 -5.287 3.078 1.00 0.00 C ATOM 0 H MET A 164 -9.696 -8.274 -2.016 1.00 0.00 H new ATOM 0 HA MET A 164 -7.969 -6.428 -0.604 1.00 0.00 H new ATOM 0 HB2 MET A 164 -9.415 -9.003 -0.042 1.00 0.00 H new ATOM 0 HB3 MET A 164 -8.057 -8.585 0.983 1.00 0.00 H new ATOM 0 HG2 MET A 164 -10.503 -6.849 0.498 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.209 -7.822 1.925 1.00 0.00 H new ATOM 0 HE1 MET A 164 -9.802 -4.246 3.322 1.00 0.00 H new ATOM 0 HE2 MET A 164 -11.014 -5.365 2.654 1.00 0.00 H new ATOM 0 HE3 MET A 164 -9.955 -5.891 3.983 1.00 0.00 H new ATOM 618 N GLN A 165 -5.721 -7.376 -0.929 1.00 0.00 N ATOM 619 CA GLN A 165 -4.374 -7.884 -1.161 1.00 0.00 C ATOM 620 C GLN A 165 -3.414 -7.385 -0.085 1.00 0.00 C ATOM 621 O GLN A 165 -3.805 -6.640 0.814 1.00 0.00 O ATOM 622 CB GLN A 165 -3.875 -7.461 -2.544 1.00 0.00 C ATOM 623 CG GLN A 165 -4.147 -6.003 -2.875 1.00 0.00 C ATOM 624 CD GLN A 165 -4.544 -5.800 -4.324 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.711 -5.465 -5.167 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.822 -6.001 -4.622 1.00 0.00 N ATOM 0 H GLN A 165 -5.757 -6.411 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.410 -8.972 -1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.802 -7.643 -2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.348 -8.090 -3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.941 -5.629 -2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.256 -5.413 -2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -6.478 -6.278 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -6.147 -5.879 -5.581 1.00 0.00 H new ATOM 635 N ARG A 166 -2.154 -7.800 -0.184 1.00 0.00 N ATOM 636 CA ARG A 166 -1.138 -7.396 0.781 1.00 0.00 C ATOM 637 C ARG A 166 0.060 -6.767 0.078 1.00 0.00 C ATOM 638 O ARG A 166 0.285 -6.993 -1.111 1.00 0.00 O ATOM 639 CB ARG A 166 -0.685 -8.599 1.609 1.00 0.00 C ATOM 640 CG ARG A 166 -1.484 -8.796 2.887 1.00 0.00 C ATOM 641 CD ARG A 166 -1.113 -10.098 3.579 1.00 0.00 C ATOM 642 NE ARG A 166 -1.641 -10.165 4.940 1.00 0.00 N ATOM 643 CZ ARG A 166 -1.311 -11.111 5.817 1.00 0.00 C ATOM 644 NH1 ARG A 166 -0.456 -12.068 5.480 1.00 0.00 N ATOM 645 NH2 ARG A 166 -1.838 -11.099 7.033 1.00 0.00 N ATOM 0 H ARG A 166 -1.813 -8.415 -0.923 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.578 -6.652 1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -0.764 -9.499 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.368 -8.478 1.864 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -1.305 -7.959 3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -2.549 -8.796 2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -1.496 -10.938 3.000 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -0.028 -10.198 3.606 1.00 0.00 H new ATOM 0 HE ARG A 166 -2.301 -9.445 5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -0.048 -12.081 4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -0.207 -12.790 6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -2.496 -10.365 7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -1.586 -11.823 7.705 1.00 0.00 H new ATOM 659 N PHE A 167 0.828 -5.977 0.823 1.00 0.00 N ATOM 660 CA PHE A 167 2.007 -5.317 0.273 1.00 0.00 C ATOM 661 C PHE A 167 3.282 -5.869 0.903 1.00 0.00 C ATOM 662 O PHE A 167 3.320 -6.159 2.099 1.00 0.00 O ATOM 663 CB PHE A 167 1.924 -3.807 0.503 1.00 0.00 C ATOM 664 CG PHE A 167 2.982 -3.030 -0.228 1.00 0.00 C ATOM 665 CD1 PHE A 167 2.795 -2.650 -1.547 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.164 -2.681 0.405 1.00 0.00 C ATOM 667 CE1 PHE A 167 3.766 -1.936 -2.221 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.140 -1.966 -0.264 1.00 0.00 C ATOM 669 CZ PHE A 167 4.939 -1.592 -1.579 1.00 0.00 C ATOM 0 H PHE A 167 0.655 -5.779 1.808 1.00 0.00 H new ATOM 0 HA PHE A 167 2.037 -5.514 -0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 167 0.942 -3.453 0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.009 -3.605 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 167 1.879 -2.915 -2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.325 -2.971 1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 167 3.608 -1.647 -3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.057 -1.700 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.698 -1.031 -2.104 1.00 0.00 H new ATOM 679 N CYS A 168 4.322 -6.014 0.090 1.00 0.00 N ATOM 680 CA CYS A 168 5.600 -6.534 0.567 1.00 0.00 C ATOM 681 C CYS A 168 6.683 -5.462 0.498 1.00 0.00 C ATOM 682 O CYS A 168 6.450 -4.362 -0.002 1.00 0.00 O ATOM 683 CB CYS A 168 6.018 -7.753 -0.256 1.00 0.00 C ATOM 684 SG CYS A 168 6.772 -9.077 0.717 1.00 0.00 S ATOM 0 H CYS A 168 4.306 -5.779 -0.902 1.00 0.00 H new ATOM 0 HA CYS A 168 5.477 -6.833 1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 168 5.142 -8.148 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.723 -7.435 -1.024 1.00 0.00 H new ATOM 0 HG CYS A 168 7.089 -10.065 -0.067 1.00 0.00 H new ATOM 690 N GLN A 169 7.866 -5.791 1.006 1.00 0.00 N ATOM 691 CA GLN A 169 8.985 -4.856 1.002 1.00 0.00 C ATOM 692 C GLN A 169 10.002 -5.228 -0.073 1.00 0.00 C ATOM 693 O GLN A 169 10.666 -4.360 -0.640 1.00 0.00 O ATOM 694 CB GLN A 169 9.661 -4.832 2.374 1.00 0.00 C ATOM 695 CG GLN A 169 9.034 -3.843 3.342 1.00 0.00 C ATOM 696 CD GLN A 169 8.862 -4.420 4.735 1.00 0.00 C ATOM 697 OE1 GLN A 169 9.431 -3.916 5.703 1.00 0.00 O ATOM 698 NE2 GLN A 169 8.071 -5.482 4.840 1.00 0.00 N ATOM 0 H GLN A 169 8.074 -6.697 1.425 1.00 0.00 H new ATOM 0 HA GLN A 169 8.595 -3.863 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.618 -5.831 2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.715 -4.585 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 169 9.656 -2.950 3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 169 8.062 -3.532 2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 169 7.620 -5.866 4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 169 7.915 -5.913 5.751 1.00 0.00 H new ATOM 707 N GLN A 170 10.118 -6.523 -0.349 1.00 0.00 N ATOM 708 CA GLN A 170 11.055 -7.007 -1.356 1.00 0.00 C ATOM 709 C GLN A 170 10.563 -6.675 -2.761 1.00 0.00 C ATOM 710 O GLN A 170 11.277 -6.056 -3.550 1.00 0.00 O ATOM 711 CB GLN A 170 11.250 -8.517 -1.217 1.00 0.00 C ATOM 712 CG GLN A 170 12.247 -9.097 -2.208 1.00 0.00 C ATOM 713 CD GLN A 170 12.302 -10.612 -2.164 1.00 0.00 C ATOM 714 OE1 GLN A 170 11.356 -11.291 -2.560 1.00 0.00 O ATOM 715 NE2 GLN A 170 13.415 -11.148 -1.677 1.00 0.00 N ATOM 0 H GLN A 170 9.576 -7.255 0.110 1.00 0.00 H new ATOM 0 HA GLN A 170 12.011 -6.507 -1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 170 11.586 -8.740 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 170 10.288 -9.013 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 170 11.980 -8.776 -3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 170 13.238 -8.695 -1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 170 14.175 -10.546 -1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 170 13.510 -12.162 -1.620 1.00 0.00 H new ATOM 724 N CYS A 171 9.339 -7.092 -3.068 1.00 0.00 N ATOM 725 CA CYS A 171 8.750 -6.840 -4.378 1.00 0.00 C ATOM 726 C CYS A 171 8.054 -5.482 -4.411 1.00 0.00 C ATOM 727 O CYS A 171 7.988 -4.833 -5.454 1.00 0.00 O ATOM 728 CB CYS A 171 7.755 -7.943 -4.735 1.00 0.00 C ATOM 729 SG CYS A 171 6.371 -8.091 -3.582 1.00 0.00 S ATOM 0 H CYS A 171 8.735 -7.606 -2.427 1.00 0.00 H new ATOM 0 HA CYS A 171 9.554 -6.834 -5.113 1.00 0.00 H new ATOM 0 HB2 CYS A 171 7.363 -7.754 -5.734 1.00 0.00 H new ATOM 0 HB3 CYS A 171 8.284 -8.895 -4.775 1.00 0.00 H new ATOM 0 HG CYS A 171 5.435 -8.817 -4.118 1.00 0.00 H new ATOM 735 N SER A 172 7.538 -5.059 -3.261 1.00 0.00 N ATOM 736 CA SER A 172 6.847 -3.779 -3.156 1.00 0.00 C ATOM 737 C SER A 172 5.650 -3.727 -4.102 1.00 0.00 C ATOM 738 O SER A 172 5.351 -2.686 -4.684 1.00 0.00 O ATOM 739 CB SER A 172 7.808 -2.629 -3.465 1.00 0.00 C ATOM 740 OG SER A 172 7.927 -2.421 -4.863 1.00 0.00 O ATOM 0 H SER A 172 7.586 -5.585 -2.388 1.00 0.00 H new ATOM 0 HA SER A 172 6.484 -3.674 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 172 7.452 -1.716 -2.988 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.789 -2.848 -3.043 1.00 0.00 H new ATOM 0 HG SER A 172 8.193 -3.259 -5.297 1.00 0.00 H new ATOM 746 N ARG A 173 4.969 -4.860 -4.247 1.00 0.00 N ATOM 747 CA ARG A 173 3.804 -4.944 -5.120 1.00 0.00 C ATOM 748 C ARG A 173 2.595 -5.480 -4.362 1.00 0.00 C ATOM 749 O ARG A 173 2.705 -6.435 -3.593 1.00 0.00 O ATOM 750 CB ARG A 173 4.106 -5.840 -6.323 1.00 0.00 C ATOM 751 CG ARG A 173 3.029 -5.801 -7.395 1.00 0.00 C ATOM 752 CD ARG A 173 2.969 -4.442 -8.076 1.00 0.00 C ATOM 753 NE ARG A 173 1.594 -3.978 -8.250 1.00 0.00 N ATOM 754 CZ ARG A 173 1.264 -2.712 -8.498 1.00 0.00 C ATOM 755 NH1 ARG A 173 2.205 -1.783 -8.603 1.00 0.00 N ATOM 756 NH2 ARG A 173 -0.010 -2.375 -8.642 1.00 0.00 N ATOM 0 H ARG A 173 5.204 -5.731 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 173 3.572 -3.939 -5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.056 -5.536 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 173 4.228 -6.867 -5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 173 3.226 -6.573 -8.139 1.00 0.00 H new ATOM 0 HG3 ARG A 173 2.061 -6.028 -6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 173 3.525 -3.715 -7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 173 3.457 -4.502 -9.049 1.00 0.00 H new ATOM 0 HE ARG A 173 0.843 -4.664 -8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 173 3.187 -2.037 -8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 173 1.947 -0.815 -8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -0.738 -3.085 -8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -0.263 -1.405 -8.832 1.00 0.00 H new ATOM 770 N PHE A 174 1.440 -4.861 -4.584 1.00 0.00 N ATOM 771 CA PHE A 174 0.209 -5.276 -3.922 1.00 0.00 C ATOM 772 C PHE A 174 -0.284 -6.610 -4.474 1.00 0.00 C ATOM 773 O PHE A 174 -1.201 -6.652 -5.296 1.00 0.00 O ATOM 774 CB PHE A 174 -0.871 -4.207 -4.091 1.00 0.00 C ATOM 775 CG PHE A 174 -0.969 -3.262 -2.927 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.259 -3.734 -1.658 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.769 -1.902 -3.104 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.348 -2.867 -0.585 1.00 0.00 C ATOM 779 CE2 PHE A 174 -0.858 -1.030 -2.034 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.148 -1.514 -0.774 1.00 0.00 C ATOM 0 H PHE A 174 1.331 -4.069 -5.218 1.00 0.00 H new ATOM 0 HA PHE A 174 0.421 -5.401 -2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.666 -3.635 -4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.835 -4.696 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -1.417 -4.791 -1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.541 -1.519 -4.088 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.574 -3.248 0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -0.701 0.028 -2.184 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.218 -0.835 0.063 1.00 0.00 H new ATOM 790 N HIS A 175 0.328 -7.698 -4.018 1.00 0.00 N ATOM 791 CA HIS A 175 -0.050 -9.032 -4.465 1.00 0.00 C ATOM 792 C HIS A 175 -1.239 -9.556 -3.666 1.00 0.00 C ATOM 793 O HIS A 175 -1.354 -9.304 -2.467 1.00 0.00 O ATOM 794 CB HIS A 175 1.134 -9.993 -4.332 1.00 0.00 C ATOM 795 CG HIS A 175 2.160 -9.827 -5.409 1.00 0.00 C ATOM 796 ND1 HIS A 175 3.493 -9.585 -5.148 1.00 0.00 N ATOM 797 CD2 HIS A 175 2.046 -9.873 -6.759 1.00 0.00 C ATOM 798 CE1 HIS A 175 4.153 -9.486 -6.288 1.00 0.00 C ATOM 799 NE2 HIS A 175 3.298 -9.657 -7.280 1.00 0.00 N ATOM 0 H HIS A 175 1.089 -7.681 -3.338 1.00 0.00 H new ATOM 0 HA HIS A 175 -0.340 -8.968 -5.514 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.608 -9.841 -3.362 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.764 -11.018 -4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 175 1.140 -10.047 -7.320 1.00 0.00 H new ATOM 0 HE1 HIS A 175 5.211 -9.297 -6.391 1.00 0.00 H new ATOM 0 HE2 HIS A 175 3.530 -9.633 -8.273 1.00 0.00 H new ATOM 807 N VAL A 176 -2.124 -10.285 -4.340 1.00 0.00 N ATOM 808 CA VAL A 176 -3.308 -10.845 -3.696 1.00 0.00 C ATOM 809 C VAL A 176 -2.941 -11.626 -2.438 1.00 0.00 C ATOM 810 O VAL A 176 -1.767 -11.731 -2.079 1.00 0.00 O ATOM 811 CB VAL A 176 -4.079 -11.774 -4.653 1.00 0.00 C ATOM 812 CG1 VAL A 176 -4.829 -10.962 -5.698 1.00 0.00 C ATOM 813 CG2 VAL A 176 -3.133 -12.764 -5.315 1.00 0.00 C ATOM 0 H VAL A 176 -2.043 -10.502 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.943 -10.003 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.809 -12.338 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -5.367 -11.636 -6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.538 -10.298 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -4.120 -10.370 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.696 -13.412 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -2.377 -12.221 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.647 -13.370 -4.550 1.00 0.00 H new ATOM 823 N LEU A 177 -3.953 -12.168 -1.767 1.00 0.00 N ATOM 824 CA LEU A 177 -3.738 -12.936 -0.546 1.00 0.00 C ATOM 825 C LEU A 177 -3.697 -14.433 -0.840 1.00 0.00 C ATOM 826 O LEU A 177 -4.078 -15.251 -0.002 1.00 0.00 O ATOM 827 CB LEU A 177 -4.840 -12.637 0.473 1.00 0.00 C ATOM 828 CG LEU A 177 -5.241 -11.164 0.579 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.692 -11.036 1.021 1.00 0.00 C ATOM 830 CD2 LEU A 177 -4.321 -10.432 1.545 1.00 0.00 C ATOM 0 H LEU A 177 -4.930 -12.089 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.775 -12.640 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.723 -13.220 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.510 -12.980 1.454 1.00 0.00 H new ATOM 0 HG LEU A 177 -5.141 -10.707 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.959 -9.982 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -7.339 -11.527 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.818 -11.508 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.619 -9.386 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -4.390 -10.890 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -3.293 -10.495 1.187 1.00 0.00 H new