USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 444 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 NoAdj-H: A 152 HIS HD1 : A 152 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Set 1.1: A 142 TYR OH : rot 16:sc= 1.51 USER MOD Set 1.2: A 172 SER OG : rot 160:sc= 1.41 USER MOD Set 2.1: A 156 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 157 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 143 HIS : no HE2:sc= -3.84 X(o=-3.9,f=-4.4) USER MOD Set 3.2: A 153 SER OG : rot 85:sc= -0.0375 USER MOD Single : A 126 CYS SG : rot -47:sc= 0.234 USER MOD Single : A 128 GLN : amide:sc= -5.03 K(o=-5,f=-9.7!) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 SER OG : rot -118:sc= 0.132 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 146 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.41) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -4.09 K(o=-4.1,f=-10!) USER MOD Single : A 168 CYS SG : rot 170:sc= -0.91 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.086) USER MOD Single : A 171 CYS SG : rot 180:sc= 0 USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 1.447 15.097 -6.345 1.00 0.00 N ATOM 2 CA ALA A 124 1.660 13.923 -5.461 1.00 0.00 C ATOM 3 C ALA A 124 0.836 12.728 -5.928 1.00 0.00 C ATOM 4 O ALA A 124 0.141 12.800 -6.940 1.00 0.00 O ATOM 5 CB ALA A 124 1.311 14.274 -4.023 1.00 0.00 C ATOM 0 HA ALA A 124 2.714 13.649 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 124 1.472 13.404 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.945 15.093 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.265 14.577 -3.966 1.00 0.00 H new ATOM 11 N ILE A 125 0.920 11.630 -5.183 1.00 0.00 N ATOM 12 CA ILE A 125 0.182 10.420 -5.521 1.00 0.00 C ATOM 13 C ILE A 125 -0.529 9.851 -4.299 1.00 0.00 C ATOM 14 O ILE A 125 0.110 9.461 -3.322 1.00 0.00 O ATOM 15 CB ILE A 125 1.111 9.340 -6.110 1.00 0.00 C ATOM 16 CG1 ILE A 125 1.990 9.935 -7.209 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.294 8.175 -6.649 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.177 9.069 -7.571 1.00 0.00 C ATOM 0 H ILE A 125 1.492 11.554 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.558 10.700 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 125 1.759 8.968 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.383 10.096 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.349 10.912 -6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.964 7.421 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.292 7.737 -5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.376 8.532 -7.431 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.755 9.554 -8.357 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.806 8.928 -6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.826 8.100 -7.925 1.00 0.00 H new ATOM 30 N CYS A 126 -1.856 9.808 -4.358 1.00 0.00 N ATOM 31 CA CYS A 126 -2.655 9.288 -3.255 1.00 0.00 C ATOM 32 C CYS A 126 -2.534 7.770 -3.160 1.00 0.00 C ATOM 33 O CYS A 126 -2.175 7.104 -4.132 1.00 0.00 O ATOM 34 CB CYS A 126 -4.122 9.684 -3.430 1.00 0.00 C ATOM 35 SG CYS A 126 -4.374 11.433 -3.808 1.00 0.00 S ATOM 0 H CYS A 126 -2.401 10.127 -5.159 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.276 9.722 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.556 9.084 -4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.665 9.439 -2.517 1.00 0.00 H new ATOM 0 HG CYS A 126 -3.666 12.159 -2.995 1.00 0.00 H new ATOM 41 N CYS A 127 -2.835 7.229 -1.985 1.00 0.00 N ATOM 42 CA CYS A 127 -2.762 5.790 -1.762 1.00 0.00 C ATOM 43 C CYS A 127 -3.643 5.038 -2.755 1.00 0.00 C ATOM 44 O CYS A 127 -4.836 5.316 -2.875 1.00 0.00 O ATOM 45 CB CYS A 127 -3.184 5.453 -0.329 1.00 0.00 C ATOM 46 SG CYS A 127 -2.848 3.746 0.159 1.00 0.00 S ATOM 0 H CYS A 127 -3.132 7.766 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.729 5.477 -1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.667 6.124 0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.251 5.647 -0.221 1.00 0.00 H new ATOM 51 N GLN A 128 -3.046 4.087 -3.466 1.00 0.00 N ATOM 52 CA GLN A 128 -3.774 3.295 -4.451 1.00 0.00 C ATOM 53 C GLN A 128 -4.944 2.557 -3.808 1.00 0.00 C ATOM 54 O GLN A 128 -5.931 2.240 -4.473 1.00 0.00 O ATOM 55 CB GLN A 128 -2.835 2.293 -5.123 1.00 0.00 C ATOM 56 CG GLN A 128 -2.227 1.288 -4.159 1.00 0.00 C ATOM 57 CD GLN A 128 -0.854 0.817 -4.597 1.00 0.00 C ATOM 58 OE1 GLN A 128 0.120 0.926 -3.853 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.769 0.288 -5.813 1.00 0.00 N ATOM 0 H GLN A 128 -2.059 3.846 -3.378 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.170 3.977 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.384 1.756 -5.896 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -2.033 2.837 -5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.154 1.738 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -2.891 0.428 -4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -1.602 0.217 -6.397 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.129 -0.047 -6.162 1.00 0.00 H new ATOM 68 N VAL A 129 -4.830 2.283 -2.512 1.00 0.00 N ATOM 69 CA VAL A 129 -5.879 1.579 -1.781 1.00 0.00 C ATOM 70 C VAL A 129 -7.217 2.304 -1.911 1.00 0.00 C ATOM 71 O VAL A 129 -7.285 3.529 -1.805 1.00 0.00 O ATOM 72 CB VAL A 129 -5.521 1.433 -0.289 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.584 0.629 0.445 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.154 0.785 -0.131 1.00 0.00 C ATOM 0 H VAL A 129 -4.021 2.538 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.965 0.586 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.484 2.429 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.311 0.539 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.545 1.136 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.659 -0.364 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.917 0.690 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.164 -0.203 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.400 1.404 -0.617 1.00 0.00 H new ATOM 84 N ASP A 130 -8.278 1.536 -2.145 1.00 0.00 N ATOM 85 CA ASP A 130 -9.616 2.100 -2.295 1.00 0.00 C ATOM 86 C ASP A 130 -9.996 2.950 -1.084 1.00 0.00 C ATOM 87 O ASP A 130 -9.953 4.177 -1.138 1.00 0.00 O ATOM 88 CB ASP A 130 -10.643 0.983 -2.491 1.00 0.00 C ATOM 89 CG ASP A 130 -10.675 0.472 -3.918 1.00 0.00 C ATOM 90 OD1 ASP A 130 -9.673 -0.133 -4.355 1.00 0.00 O ATOM 91 OD2 ASP A 130 -11.703 0.677 -4.599 1.00 0.00 O ATOM 0 H ASP A 130 -8.237 0.521 -2.235 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.612 2.743 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.411 0.158 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.632 1.350 -2.217 1.00 0.00 H new ATOM 96 N ASN A 131 -10.367 2.286 0.008 1.00 0.00 N ATOM 97 CA ASN A 131 -10.754 2.981 1.229 1.00 0.00 C ATOM 98 C ASN A 131 -9.544 3.641 1.887 1.00 0.00 C ATOM 99 O ASN A 131 -9.131 3.256 2.982 1.00 0.00 O ATOM 100 CB ASN A 131 -11.414 2.005 2.207 1.00 0.00 C ATOM 101 CG ASN A 131 -12.811 1.610 1.773 1.00 0.00 C ATOM 102 OD1 ASN A 131 -13.749 2.402 1.863 1.00 0.00 O ATOM 103 ND2 ASN A 131 -12.958 0.378 1.300 1.00 0.00 N ATOM 0 H ASN A 131 -10.407 1.269 0.071 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.469 3.760 0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -10.797 1.111 2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -11.459 2.460 3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -13.876 0.055 0.994 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.153 -0.246 1.243 1.00 0.00 H new ATOM 110 N CYS A 132 -8.977 4.635 1.208 1.00 0.00 N ATOM 111 CA CYS A 132 -7.814 5.345 1.726 1.00 0.00 C ATOM 112 C CYS A 132 -7.476 6.548 0.852 1.00 0.00 C ATOM 113 O CYS A 132 -6.860 6.406 -0.204 1.00 0.00 O ATOM 114 CB CYS A 132 -6.612 4.403 1.803 1.00 0.00 C ATOM 115 SG CYS A 132 -5.358 4.895 3.009 1.00 0.00 S ATOM 0 H CYS A 132 -9.304 4.965 0.300 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.053 5.703 2.727 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -6.965 3.402 2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.149 4.343 0.818 1.00 0.00 H new ATOM 120 N GLY A 133 -7.882 7.731 1.301 1.00 0.00 N ATOM 121 CA GLY A 133 -7.613 8.942 0.547 1.00 0.00 C ATOM 122 C GLY A 133 -6.378 9.670 1.044 1.00 0.00 C ATOM 123 O GLY A 133 -6.295 10.895 0.958 1.00 0.00 O ATOM 0 H GLY A 133 -8.392 7.873 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.484 8.690 -0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.474 9.607 0.613 1.00 0.00 H new ATOM 127 N ALA A 134 -5.419 8.914 1.568 1.00 0.00 N ATOM 128 CA ALA A 134 -4.184 9.493 2.082 1.00 0.00 C ATOM 129 C ALA A 134 -3.419 10.222 0.984 1.00 0.00 C ATOM 130 O ALA A 134 -3.452 9.821 -0.181 1.00 0.00 O ATOM 131 CB ALA A 134 -3.314 8.411 2.704 1.00 0.00 C ATOM 0 H ALA A 134 -5.474 7.899 1.648 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.446 10.221 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.395 8.857 3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.853 7.937 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.070 7.663 1.950 1.00 0.00 H new ATOM 137 N ASP A 135 -2.731 11.295 1.361 1.00 0.00 N ATOM 138 CA ASP A 135 -1.956 12.081 0.408 1.00 0.00 C ATOM 139 C ASP A 135 -0.460 11.890 0.636 1.00 0.00 C ATOM 140 O ASP A 135 0.073 12.272 1.677 1.00 0.00 O ATOM 141 CB ASP A 135 -2.316 13.562 0.527 1.00 0.00 C ATOM 142 CG ASP A 135 -2.301 14.270 -0.814 1.00 0.00 C ATOM 143 OD1 ASP A 135 -2.629 13.624 -1.830 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.960 15.472 -0.847 1.00 0.00 O ATOM 0 H ASP A 135 -2.694 11.640 2.320 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.200 11.734 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.305 13.658 0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.613 14.051 1.201 1.00 0.00 H new ATOM 149 N LEU A 136 0.212 11.298 -0.346 1.00 0.00 N ATOM 150 CA LEU A 136 1.648 11.057 -0.252 1.00 0.00 C ATOM 151 C LEU A 136 2.435 12.259 -0.765 1.00 0.00 C ATOM 152 O LEU A 136 3.278 12.131 -1.654 1.00 0.00 O ATOM 153 CB LEU A 136 2.029 9.804 -1.046 1.00 0.00 C ATOM 154 CG LEU A 136 1.225 8.548 -0.699 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.352 7.511 -1.803 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.689 7.974 0.631 1.00 0.00 C ATOM 0 H LEU A 136 -0.214 10.976 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 136 1.899 10.903 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.905 10.014 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.087 9.597 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 136 0.174 8.823 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.774 6.625 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.973 7.926 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.400 7.237 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.108 7.082 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.745 7.713 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.546 8.716 1.417 1.00 0.00 H new ATOM 168 N SER A 137 2.155 13.427 -0.197 1.00 0.00 N ATOM 169 CA SER A 137 2.836 14.654 -0.598 1.00 0.00 C ATOM 170 C SER A 137 3.992 14.968 0.347 1.00 0.00 C ATOM 171 O SER A 137 4.988 15.570 -0.056 1.00 0.00 O ATOM 172 CB SER A 137 1.850 15.823 -0.621 1.00 0.00 C ATOM 173 OG SER A 137 0.943 15.749 0.465 1.00 0.00 O ATOM 0 H SER A 137 1.462 13.551 0.541 1.00 0.00 H new ATOM 0 HA SER A 137 3.239 14.507 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 137 2.397 16.765 -0.578 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.298 15.818 -1.561 1.00 0.00 H new ATOM 0 HG SER A 137 0.029 15.664 0.122 1.00 0.00 H new ATOM 179 N LYS A 138 3.854 14.558 1.604 1.00 0.00 N ATOM 180 CA LYS A 138 4.889 14.798 2.603 1.00 0.00 C ATOM 181 C LYS A 138 5.642 13.511 2.930 1.00 0.00 C ATOM 182 O LYS A 138 5.985 13.259 4.085 1.00 0.00 O ATOM 183 CB LYS A 138 4.271 15.379 3.877 1.00 0.00 C ATOM 184 CG LYS A 138 5.152 16.410 4.564 1.00 0.00 C ATOM 185 CD LYS A 138 5.211 16.184 6.066 1.00 0.00 C ATOM 186 CE LYS A 138 5.903 17.337 6.778 1.00 0.00 C ATOM 187 NZ LYS A 138 7.307 17.002 7.142 1.00 0.00 N ATOM 0 H LYS A 138 3.037 14.059 1.954 1.00 0.00 H new ATOM 0 HA LYS A 138 5.598 15.516 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 138 3.314 15.838 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 138 4.065 14.567 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 138 6.159 16.364 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.769 17.410 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.200 16.068 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.742 15.255 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.895 18.218 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.346 17.594 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.743 17.813 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 7.314 16.177 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 7.846 16.781 6.280 1.00 0.00 H new ATOM 201 N VAL A 139 5.895 12.704 1.906 1.00 0.00 N ATOM 202 CA VAL A 139 6.609 11.445 2.087 1.00 0.00 C ATOM 203 C VAL A 139 8.034 11.539 1.551 1.00 0.00 C ATOM 204 O VAL A 139 8.412 12.538 0.938 1.00 0.00 O ATOM 205 CB VAL A 139 5.885 10.279 1.387 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.642 9.877 2.167 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.528 10.652 -0.044 1.00 0.00 C ATOM 0 H VAL A 139 5.617 12.898 0.944 1.00 0.00 H new ATOM 0 HA VAL A 139 6.638 11.251 3.159 1.00 0.00 H new ATOM 0 HB VAL A 139 6.560 9.423 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.144 9.052 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.928 9.564 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.963 10.727 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 139 5.017 9.816 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.873 11.523 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.438 10.885 -0.597 1.00 0.00 H new ATOM 217 N LYS A 140 8.819 10.495 1.787 1.00 0.00 N ATOM 218 CA LYS A 140 10.204 10.461 1.329 1.00 0.00 C ATOM 219 C LYS A 140 10.281 10.120 -0.155 1.00 0.00 C ATOM 220 O LYS A 140 10.474 10.997 -0.996 1.00 0.00 O ATOM 221 CB LYS A 140 11.008 9.445 2.143 1.00 0.00 C ATOM 222 CG LYS A 140 11.418 9.952 3.516 1.00 0.00 C ATOM 223 CD LYS A 140 10.741 9.167 4.629 1.00 0.00 C ATOM 224 CE LYS A 140 11.010 9.784 5.993 1.00 0.00 C ATOM 225 NZ LYS A 140 9.780 9.836 6.831 1.00 0.00 N ATOM 0 H LYS A 140 8.521 9.661 2.293 1.00 0.00 H new ATOM 0 HA LYS A 140 10.632 11.453 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.416 8.538 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.903 9.171 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 140 12.500 9.877 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.161 11.007 3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 140 9.666 9.134 4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 140 11.098 8.137 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 140 11.776 9.205 6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 140 11.404 10.792 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 10.005 10.263 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 9.057 10.409 6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 9.417 8.872 6.976 1.00 0.00 H new ATOM 239 N ASP A 141 10.129 8.839 -0.469 1.00 0.00 N ATOM 240 CA ASP A 141 10.182 8.376 -1.850 1.00 0.00 C ATOM 241 C ASP A 141 9.691 6.935 -1.961 1.00 0.00 C ATOM 242 O ASP A 141 8.955 6.589 -2.884 1.00 0.00 O ATOM 243 CB ASP A 141 11.608 8.485 -2.392 1.00 0.00 C ATOM 244 CG ASP A 141 11.642 8.882 -3.854 1.00 0.00 C ATOM 245 OD1 ASP A 141 10.779 8.402 -4.619 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.529 9.673 -4.235 1.00 0.00 O ATOM 0 H ASP A 141 9.968 8.101 0.216 1.00 0.00 H new ATOM 0 HA ASP A 141 9.525 9.011 -2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 141 12.161 9.219 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 141 12.116 7.529 -2.266 1.00 0.00 H new ATOM 251 N TYR A 142 10.105 6.100 -1.012 1.00 0.00 N ATOM 252 CA TYR A 142 9.708 4.696 -1.002 1.00 0.00 C ATOM 253 C TYR A 142 8.268 4.540 -0.519 1.00 0.00 C ATOM 254 O TYR A 142 8.010 3.889 0.495 1.00 0.00 O ATOM 255 CB TYR A 142 10.653 3.889 -0.107 1.00 0.00 C ATOM 256 CG TYR A 142 10.734 2.425 -0.474 1.00 0.00 C ATOM 257 CD1 TYR A 142 9.792 1.518 -0.003 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.753 1.948 -1.287 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.864 0.178 -0.335 1.00 0.00 C ATOM 260 CE2 TYR A 142 11.832 0.610 -1.623 1.00 0.00 C ATOM 261 CZ TYR A 142 10.886 -0.270 -1.145 1.00 0.00 C ATOM 262 OH TYR A 142 10.962 -1.604 -1.475 1.00 0.00 O ATOM 0 H TYR A 142 10.715 6.371 -0.241 1.00 0.00 H new ATOM 0 HA TYR A 142 9.770 4.316 -2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.651 4.324 -0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 142 10.323 3.977 0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.991 1.866 0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.497 2.634 -1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 142 9.124 -0.514 0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 142 12.631 0.256 -2.257 1.00 0.00 H new ATOM 0 HH TYR A 142 10.106 -2.039 -1.279 1.00 0.00 H new ATOM 272 N HIS A 143 7.335 5.141 -1.251 1.00 0.00 N ATOM 273 CA HIS A 143 5.920 5.071 -0.900 1.00 0.00 C ATOM 274 C HIS A 143 5.064 5.726 -1.978 1.00 0.00 C ATOM 275 O HIS A 143 4.007 5.211 -2.343 1.00 0.00 O ATOM 276 CB HIS A 143 5.671 5.752 0.447 1.00 0.00 C ATOM 277 CG HIS A 143 5.719 4.813 1.613 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.386 5.100 2.786 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.180 3.582 1.783 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.257 4.087 3.624 1.00 0.00 C ATOM 281 NE2 HIS A 143 5.528 3.155 3.041 1.00 0.00 N ATOM 0 H HIS A 143 7.533 5.683 -2.092 1.00 0.00 H new ATOM 0 HA HIS A 143 5.641 4.020 -0.824 1.00 0.00 H new ATOM 0 HB2 HIS A 143 6.415 6.535 0.591 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.696 6.239 0.424 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.899 5.961 2.977 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.587 3.038 1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.677 4.031 4.617 1.00 0.00 H new ATOM 289 N ARG A 144 5.526 6.865 -2.482 1.00 0.00 N ATOM 290 CA ARG A 144 4.805 7.595 -3.518 1.00 0.00 C ATOM 291 C ARG A 144 4.815 6.824 -4.835 1.00 0.00 C ATOM 292 O ARG A 144 3.768 6.605 -5.444 1.00 0.00 O ATOM 293 CB ARG A 144 5.422 8.981 -3.718 1.00 0.00 C ATOM 294 CG ARG A 144 4.753 9.796 -4.815 1.00 0.00 C ATOM 295 CD ARG A 144 4.624 11.259 -4.423 1.00 0.00 C ATOM 296 NE ARG A 144 5.871 11.793 -3.875 1.00 0.00 N ATOM 297 CZ ARG A 144 6.046 13.069 -3.543 1.00 0.00 C ATOM 298 NH1 ARG A 144 5.063 13.946 -3.702 1.00 0.00 N ATOM 299 NH2 ARG A 144 7.211 13.470 -3.051 1.00 0.00 N ATOM 0 H ARG A 144 6.399 7.304 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 144 3.771 7.710 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 144 5.364 9.534 -2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.480 8.867 -3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 144 5.332 9.715 -5.735 1.00 0.00 H new ATOM 0 HG3 ARG A 144 3.765 9.386 -5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 144 4.332 11.843 -5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 144 3.828 11.368 -3.686 1.00 0.00 H new ATOM 0 HE ARG A 144 6.651 11.150 -3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 144 4.166 13.643 -4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 144 5.205 14.923 -3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 144 7.970 12.800 -2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 144 7.347 14.448 -2.796 1.00 0.00 H new ATOM 313 N ARG A 145 6.003 6.416 -5.268 1.00 0.00 N ATOM 314 CA ARG A 145 6.148 5.669 -6.513 1.00 0.00 C ATOM 315 C ARG A 145 5.299 4.402 -6.492 1.00 0.00 C ATOM 316 O ARG A 145 4.816 3.948 -7.529 1.00 0.00 O ATOM 317 CB ARG A 145 7.618 5.309 -6.745 1.00 0.00 C ATOM 318 CG ARG A 145 7.947 5.014 -8.201 1.00 0.00 C ATOM 319 CD ARG A 145 8.849 3.796 -8.333 1.00 0.00 C ATOM 320 NE ARG A 145 8.101 2.604 -8.728 1.00 0.00 N ATOM 321 CZ ARG A 145 8.559 1.363 -8.584 1.00 0.00 C ATOM 322 NH1 ARG A 145 9.758 1.144 -8.056 1.00 0.00 N ATOM 323 NH2 ARG A 145 7.816 0.333 -8.969 1.00 0.00 N ATOM 0 H ARG A 145 6.879 6.590 -4.776 1.00 0.00 H new ATOM 0 HA ARG A 145 5.801 6.301 -7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.244 6.131 -6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 145 7.871 4.438 -6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 145 7.024 4.847 -8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 145 8.436 5.880 -8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 145 9.626 3.998 -9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 145 9.351 3.611 -7.383 1.00 0.00 H new ATOM 0 HE ARG A 145 7.175 2.731 -9.137 1.00 0.00 H new ATOM 0 HH11 ARG A 145 10.335 1.930 -7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 145 10.102 0.190 -7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 145 6.894 0.493 -9.375 1.00 0.00 H new ATOM 0 HH22 ARG A 145 8.167 -0.618 -8.859 1.00 0.00 H new ATOM 337 N HIS A 146 5.122 3.837 -5.302 1.00 0.00 N ATOM 338 CA HIS A 146 4.330 2.622 -5.144 1.00 0.00 C ATOM 339 C HIS A 146 2.846 2.946 -4.980 1.00 0.00 C ATOM 340 O HIS A 146 1.996 2.061 -5.074 1.00 0.00 O ATOM 341 CB HIS A 146 4.824 1.822 -3.937 1.00 0.00 C ATOM 342 CG HIS A 146 6.276 1.465 -4.011 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.010 1.534 -5.176 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.133 1.034 -3.054 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.254 1.160 -4.934 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.354 0.853 -3.654 1.00 0.00 N ATOM 0 H HIS A 146 5.516 4.200 -4.434 1.00 0.00 H new ATOM 0 HA HIS A 146 4.451 2.024 -6.047 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.646 2.400 -3.030 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.237 0.907 -3.852 1.00 0.00 H new ATOM 0 HD2 HIS A 146 6.899 0.865 -2.013 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.053 1.113 -5.660 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.202 0.533 -3.186 1.00 0.00 H new ATOM 354 N LYS A 147 2.538 4.219 -4.734 1.00 0.00 N ATOM 355 CA LYS A 147 1.157 4.652 -4.557 1.00 0.00 C ATOM 356 C LYS A 147 0.522 3.964 -3.352 1.00 0.00 C ATOM 357 O LYS A 147 -0.524 3.323 -3.468 1.00 0.00 O ATOM 358 CB LYS A 147 0.343 4.362 -5.820 1.00 0.00 C ATOM 359 CG LYS A 147 0.769 5.194 -7.021 1.00 0.00 C ATOM 360 CD LYS A 147 1.250 4.319 -8.170 1.00 0.00 C ATOM 361 CE LYS A 147 0.296 4.373 -9.352 1.00 0.00 C ATOM 362 NZ LYS A 147 0.135 3.040 -9.998 1.00 0.00 N ATOM 0 H LYS A 147 3.228 4.966 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 147 1.158 5.727 -4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.437 3.305 -6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.711 4.549 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 147 -0.069 5.806 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.565 5.878 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 147 2.241 4.645 -8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 147 1.348 3.289 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 147 -0.677 4.734 -9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 147 0.667 5.089 -10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 -0.523 3.120 -10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 1.059 2.706 -10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 -0.243 2.362 -9.306 1.00 0.00 H new ATOM 376 N VAL A 148 1.160 4.104 -2.195 1.00 0.00 N ATOM 377 CA VAL A 148 0.661 3.500 -0.967 1.00 0.00 C ATOM 378 C VAL A 148 1.180 4.248 0.258 1.00 0.00 C ATOM 379 O VAL A 148 2.263 4.831 0.228 1.00 0.00 O ATOM 380 CB VAL A 148 1.064 2.015 -0.867 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.577 1.869 -0.849 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.444 1.372 0.365 1.00 0.00 C ATOM 0 H VAL A 148 2.026 4.632 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.427 3.567 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 148 0.684 1.498 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.840 0.814 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 148 2.994 2.286 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.984 2.403 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.741 0.324 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.789 1.892 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.642 1.439 0.303 1.00 0.00 H new ATOM 392 N CYS A 149 0.399 4.230 1.334 1.00 0.00 N ATOM 393 CA CYS A 149 0.781 4.908 2.566 1.00 0.00 C ATOM 394 C CYS A 149 1.613 3.992 3.459 1.00 0.00 C ATOM 395 O CYS A 149 2.028 2.912 3.039 1.00 0.00 O ATOM 396 CB CYS A 149 -0.464 5.388 3.315 1.00 0.00 C ATOM 397 SG CYS A 149 -1.485 4.057 3.993 1.00 0.00 S ATOM 0 H CYS A 149 -0.502 3.753 1.377 1.00 0.00 H new ATOM 0 HA CYS A 149 1.391 5.772 2.303 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.154 6.043 4.129 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.072 5.988 2.638 1.00 0.00 H new ATOM 402 N GLU A 150 1.856 4.432 4.688 1.00 0.00 N ATOM 403 CA GLU A 150 2.641 3.653 5.639 1.00 0.00 C ATOM 404 C GLU A 150 1.806 2.530 6.250 1.00 0.00 C ATOM 405 O GLU A 150 2.322 1.451 6.543 1.00 0.00 O ATOM 406 CB GLU A 150 3.183 4.558 6.747 1.00 0.00 C ATOM 407 CG GLU A 150 4.524 5.191 6.412 1.00 0.00 C ATOM 408 CD GLU A 150 5.698 4.361 6.894 1.00 0.00 C ATOM 409 OE1 GLU A 150 5.654 3.123 6.735 1.00 0.00 O ATOM 410 OE2 GLU A 150 6.660 4.949 7.430 1.00 0.00 O ATOM 0 H GLU A 150 1.521 5.325 5.050 1.00 0.00 H new ATOM 0 HA GLU A 150 3.476 3.207 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.458 5.347 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.284 3.976 7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 150 4.598 5.326 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.576 6.183 6.862 1.00 0.00 H new ATOM 417 N ILE A 151 0.518 2.792 6.440 1.00 0.00 N ATOM 418 CA ILE A 151 -0.385 1.802 7.019 1.00 0.00 C ATOM 419 C ILE A 151 -0.431 0.537 6.166 1.00 0.00 C ATOM 420 O ILE A 151 0.100 -0.505 6.553 1.00 0.00 O ATOM 421 CB ILE A 151 -1.808 2.373 7.178 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.804 3.525 8.180 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.787 1.294 7.617 1.00 0.00 C ATOM 424 CD1 ILE A 151 -2.089 4.859 7.544 1.00 0.00 C ATOM 0 H ILE A 151 0.075 3.680 6.202 1.00 0.00 H new ATOM 0 HA ILE A 151 0.002 1.547 8.006 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.134 2.748 6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -2.549 3.330 8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -0.834 3.565 8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.782 1.726 7.721 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.812 0.500 6.871 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.469 0.882 8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -2.072 5.637 8.307 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.330 5.073 6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -3.071 4.835 7.072 1.00 0.00 H new ATOM 436 N HIS A 152 -1.072 0.632 5.005 1.00 0.00 N ATOM 437 CA HIS A 152 -1.191 -0.506 4.100 1.00 0.00 C ATOM 438 C HIS A 152 0.184 -1.050 3.719 1.00 0.00 C ATOM 439 O HIS A 152 0.326 -2.230 3.396 1.00 0.00 O ATOM 440 CB HIS A 152 -1.959 -0.104 2.838 1.00 0.00 C ATOM 441 CG HIS A 152 -3.407 0.185 3.088 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.949 1.448 2.994 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.428 -0.635 3.432 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.240 1.395 3.269 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.556 0.143 3.538 1.00 0.00 N ATOM 0 H HIS A 152 -1.517 1.486 4.669 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.741 -1.291 4.619 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.490 0.778 2.402 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.878 -0.904 2.102 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.367 -1.701 3.593 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.921 2.234 3.273 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.487 -0.193 3.785 1.00 0.00 H new ATOM 452 N SER A 153 1.193 -0.186 3.759 1.00 0.00 N ATOM 453 CA SER A 153 2.555 -0.585 3.419 1.00 0.00 C ATOM 454 C SER A 153 3.029 -1.724 4.316 1.00 0.00 C ATOM 455 O SER A 153 3.839 -2.556 3.904 1.00 0.00 O ATOM 456 CB SER A 153 3.505 0.609 3.544 1.00 0.00 C ATOM 457 OG SER A 153 3.706 1.234 2.289 1.00 0.00 O ATOM 0 H SER A 153 1.094 0.794 4.023 1.00 0.00 H new ATOM 0 HA SER A 153 2.557 -0.936 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.096 1.330 4.252 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.462 0.276 3.945 1.00 0.00 H new ATOM 0 HG SER A 153 2.982 1.873 2.122 1.00 0.00 H new ATOM 463 N LYS A 154 2.520 -1.756 5.543 1.00 0.00 N ATOM 464 CA LYS A 154 2.893 -2.795 6.498 1.00 0.00 C ATOM 465 C LYS A 154 1.671 -3.297 7.258 1.00 0.00 C ATOM 466 O LYS A 154 1.753 -3.617 8.444 1.00 0.00 O ATOM 467 CB LYS A 154 3.938 -2.261 7.481 1.00 0.00 C ATOM 468 CG LYS A 154 5.370 -2.442 7.004 1.00 0.00 C ATOM 469 CD LYS A 154 6.316 -2.699 8.166 1.00 0.00 C ATOM 470 CE LYS A 154 6.799 -1.401 8.793 1.00 0.00 C ATOM 471 NZ LYS A 154 6.520 -1.353 10.256 1.00 0.00 N ATOM 0 H LYS A 154 1.849 -1.076 5.900 1.00 0.00 H new ATOM 0 HA LYS A 154 3.321 -3.630 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.753 -1.201 7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.816 -2.767 8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.418 -3.275 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.690 -1.551 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 154 5.811 -3.302 8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 154 7.173 -3.276 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.870 -1.293 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 154 6.312 -0.558 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 6.864 -0.452 10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 5.495 -1.431 10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 7.005 -2.143 10.728 1.00 0.00 H new ATOM 485 N ALA A 155 0.537 -3.366 6.569 1.00 0.00 N ATOM 486 CA ALA A 155 -0.703 -3.830 7.180 1.00 0.00 C ATOM 487 C ALA A 155 -0.923 -5.314 6.912 1.00 0.00 C ATOM 488 O ALA A 155 -0.045 -6.000 6.392 1.00 0.00 O ATOM 489 CB ALA A 155 -1.881 -3.018 6.664 1.00 0.00 C ATOM 0 H ALA A 155 0.451 -3.106 5.586 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.624 -3.690 8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.800 -3.375 7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.734 -1.967 6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.954 -3.130 5.582 1.00 0.00 H new ATOM 495 N THR A 156 -2.105 -5.804 7.272 1.00 0.00 N ATOM 496 CA THR A 156 -2.445 -7.209 7.072 1.00 0.00 C ATOM 497 C THR A 156 -3.435 -7.376 5.926 1.00 0.00 C ATOM 498 O THR A 156 -3.373 -8.350 5.176 1.00 0.00 O ATOM 499 CB THR A 156 -3.044 -7.829 8.348 1.00 0.00 C ATOM 500 OG1 THR A 156 -4.247 -7.140 8.711 1.00 0.00 O ATOM 501 CG2 THR A 156 -2.051 -7.768 9.498 1.00 0.00 C ATOM 0 H THR A 156 -2.844 -5.249 7.704 1.00 0.00 H new ATOM 0 HA THR A 156 -1.518 -7.727 6.826 1.00 0.00 H new ATOM 0 HB THR A 156 -3.273 -8.875 8.143 1.00 0.00 H new ATOM 0 HG1 THR A 156 -4.622 -7.542 9.522 1.00 0.00 H new ATOM 0 HG21 THR A 156 -2.497 -8.212 10.388 1.00 0.00 H new ATOM 0 HG22 THR A 156 -1.150 -8.320 9.230 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.793 -6.729 9.701 1.00 0.00 H new ATOM 509 N THR A 157 -4.350 -6.420 5.795 1.00 0.00 N ATOM 510 CA THR A 157 -5.354 -6.463 4.739 1.00 0.00 C ATOM 511 C THR A 157 -5.515 -5.098 4.079 1.00 0.00 C ATOM 512 O THR A 157 -5.362 -4.063 4.726 1.00 0.00 O ATOM 513 CB THR A 157 -6.721 -6.923 5.282 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.866 -6.523 6.649 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.863 -8.434 5.175 1.00 0.00 C ATOM 0 H THR A 157 -4.416 -5.607 6.407 1.00 0.00 H new ATOM 0 HA THR A 157 -5.005 -7.183 3.999 1.00 0.00 H new ATOM 0 HB THR A 157 -7.501 -6.455 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.738 -6.818 6.985 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.835 -8.737 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.781 -8.734 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.075 -8.915 5.754 1.00 0.00 H new ATOM 523 N ALA A 158 -5.828 -5.106 2.787 1.00 0.00 N ATOM 524 CA ALA A 158 -6.011 -3.869 2.039 1.00 0.00 C ATOM 525 C ALA A 158 -6.877 -4.097 0.804 1.00 0.00 C ATOM 526 O ALA A 158 -6.756 -5.120 0.129 1.00 0.00 O ATOM 527 CB ALA A 158 -4.663 -3.288 1.640 1.00 0.00 C ATOM 0 H ALA A 158 -5.960 -5.955 2.237 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.524 -3.156 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.816 -2.364 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -4.078 -3.078 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.128 -4.004 1.016 1.00 0.00 H new ATOM 533 N LEU A 159 -7.749 -3.138 0.514 1.00 0.00 N ATOM 534 CA LEU A 159 -8.636 -3.235 -0.640 1.00 0.00 C ATOM 535 C LEU A 159 -8.062 -2.476 -1.833 1.00 0.00 C ATOM 536 O LEU A 159 -8.062 -1.245 -1.856 1.00 0.00 O ATOM 537 CB LEU A 159 -10.022 -2.688 -0.293 1.00 0.00 C ATOM 538 CG LEU A 159 -11.181 -3.330 -1.056 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.027 -3.100 -2.552 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.262 -4.817 -0.749 1.00 0.00 C ATOM 0 H LEU A 159 -7.861 -2.285 1.062 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.725 -4.287 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.192 -2.822 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.031 -1.615 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.110 -2.861 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.861 -3.564 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.019 -2.029 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.091 -3.542 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.092 -5.258 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.332 -5.301 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.420 -4.960 0.320 1.00 0.00 H new ATOM 552 N VAL A 160 -7.574 -3.219 -2.821 1.00 0.00 N ATOM 553 CA VAL A 160 -6.998 -2.615 -4.017 1.00 0.00 C ATOM 554 C VAL A 160 -7.528 -3.282 -5.281 1.00 0.00 C ATOM 555 O VAL A 160 -7.431 -4.500 -5.440 1.00 0.00 O ATOM 556 CB VAL A 160 -5.461 -2.709 -4.008 1.00 0.00 C ATOM 557 CG1 VAL A 160 -4.869 -1.903 -5.154 1.00 0.00 C ATOM 558 CG2 VAL A 160 -4.905 -2.236 -2.672 1.00 0.00 C ATOM 0 H VAL A 160 -7.566 -4.239 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.292 -1.565 -4.013 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.179 -3.753 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.782 -1.982 -5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.241 -2.291 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.159 -0.857 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.818 -2.309 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.197 -1.199 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.302 -2.860 -1.871 1.00 0.00 H new ATOM 568 N GLY A 161 -8.090 -2.479 -6.178 1.00 0.00 N ATOM 569 CA GLY A 161 -8.626 -3.009 -7.417 1.00 0.00 C ATOM 570 C GLY A 161 -9.788 -3.955 -7.189 1.00 0.00 C ATOM 571 O GLY A 161 -9.921 -4.965 -7.880 1.00 0.00 O ATOM 0 H GLY A 161 -8.184 -1.469 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -8.952 -2.184 -8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -7.836 -3.532 -7.956 1.00 0.00 H new ATOM 575 N GLY A 162 -10.632 -3.629 -6.216 1.00 0.00 N ATOM 576 CA GLY A 162 -11.778 -4.466 -5.915 1.00 0.00 C ATOM 577 C GLY A 162 -11.377 -5.837 -5.405 1.00 0.00 C ATOM 578 O GLY A 162 -12.121 -6.807 -5.560 1.00 0.00 O ATOM 0 H GLY A 162 -10.542 -2.799 -5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.399 -3.971 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.387 -4.579 -6.812 1.00 0.00 H new ATOM 582 N ILE A 163 -10.198 -5.920 -4.797 1.00 0.00 N ATOM 583 CA ILE A 163 -9.699 -7.181 -4.264 1.00 0.00 C ATOM 584 C ILE A 163 -8.852 -6.954 -3.018 1.00 0.00 C ATOM 585 O ILE A 163 -8.344 -5.854 -2.792 1.00 0.00 O ATOM 586 CB ILE A 163 -8.858 -7.941 -5.309 1.00 0.00 C ATOM 587 CG1 ILE A 163 -9.602 -8.011 -6.643 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.525 -9.337 -4.807 1.00 0.00 C ATOM 589 CD1 ILE A 163 -8.811 -8.690 -7.741 1.00 0.00 C ATOM 0 H ILE A 163 -9.570 -5.128 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.572 -7.780 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 163 -7.924 -7.400 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.541 -8.546 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -9.857 -7.000 -6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -7.931 -9.861 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -7.957 -9.264 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.448 -9.888 -4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -9.400 -8.704 -8.658 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -7.884 -8.143 -7.913 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -8.579 -9.713 -7.443 1.00 0.00 H new ATOM 601 N MET A 164 -8.703 -7.999 -2.209 1.00 0.00 N ATOM 602 CA MET A 164 -7.917 -7.911 -0.983 1.00 0.00 C ATOM 603 C MET A 164 -6.488 -8.386 -1.223 1.00 0.00 C ATOM 604 O MET A 164 -6.259 -9.360 -1.941 1.00 0.00 O ATOM 605 CB MET A 164 -8.566 -8.741 0.125 1.00 0.00 C ATOM 606 CG MET A 164 -9.534 -7.950 0.990 1.00 0.00 C ATOM 607 SD MET A 164 -8.755 -7.285 2.474 1.00 0.00 S ATOM 608 CE MET A 164 -9.597 -5.711 2.622 1.00 0.00 C ATOM 0 H MET A 164 -9.116 -8.916 -2.380 1.00 0.00 H new ATOM 0 HA MET A 164 -7.887 -6.867 -0.671 1.00 0.00 H new ATOM 0 HB2 MET A 164 -9.096 -9.581 -0.325 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.784 -9.160 0.759 1.00 0.00 H new ATOM 0 HG2 MET A 164 -9.951 -7.130 0.405 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.366 -8.592 1.278 1.00 0.00 H new ATOM 0 HE1 MET A 164 -9.223 -5.179 3.497 1.00 0.00 H new ATOM 0 HE2 MET A 164 -9.413 -5.114 1.729 1.00 0.00 H new ATOM 0 HE3 MET A 164 -10.668 -5.880 2.731 1.00 0.00 H new ATOM 618 N GLN A 165 -5.530 -7.694 -0.615 1.00 0.00 N ATOM 619 CA GLN A 165 -4.122 -8.046 -0.763 1.00 0.00 C ATOM 620 C GLN A 165 -3.285 -7.418 0.346 1.00 0.00 C ATOM 621 O GLN A 165 -3.814 -6.750 1.234 1.00 0.00 O ATOM 622 CB GLN A 165 -3.601 -7.593 -2.130 1.00 0.00 C ATOM 623 CG GLN A 165 -4.085 -6.212 -2.542 1.00 0.00 C ATOM 624 CD GLN A 165 -4.990 -6.249 -3.758 1.00 0.00 C ATOM 625 OE1 GLN A 165 -6.155 -6.640 -3.667 1.00 0.00 O ATOM 626 NE2 GLN A 165 -4.460 -5.841 -4.903 1.00 0.00 N ATOM 0 H GLN A 165 -5.702 -6.887 -0.016 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.035 -9.130 -0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.511 -7.596 -2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -3.910 -8.316 -2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.620 -5.755 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.224 -5.578 -2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -3.491 -5.525 -4.932 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -5.022 -5.843 -5.754 1.00 0.00 H new ATOM 635 N ARG A 166 -1.975 -7.638 0.289 1.00 0.00 N ATOM 636 CA ARG A 166 -1.066 -7.093 1.289 1.00 0.00 C ATOM 637 C ARG A 166 0.227 -6.604 0.641 1.00 0.00 C ATOM 638 O ARG A 166 0.767 -7.252 -0.256 1.00 0.00 O ATOM 639 CB ARG A 166 -0.749 -8.149 2.351 1.00 0.00 C ATOM 640 CG ARG A 166 -0.361 -7.560 3.697 1.00 0.00 C ATOM 641 CD ARG A 166 1.127 -7.263 3.767 1.00 0.00 C ATOM 642 NE ARG A 166 1.908 -8.452 4.104 1.00 0.00 N ATOM 643 CZ ARG A 166 2.034 -8.930 5.341 1.00 0.00 C ATOM 644 NH1 ARG A 166 1.433 -8.325 6.359 1.00 0.00 N ATOM 645 NH2 ARG A 166 2.763 -10.016 5.560 1.00 0.00 N ATOM 0 H ARG A 166 -1.520 -8.189 -0.439 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.557 -6.244 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -1.619 -8.793 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.064 -8.781 1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -0.925 -6.643 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -0.632 -8.255 4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 166 1.463 -6.868 2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 166 1.307 -6.488 4.512 1.00 0.00 H new ATOM 0 HE ARG A 166 2.384 -8.944 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 166 0.871 -7.489 6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 166 1.533 -8.696 7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 166 3.227 -10.485 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 166 2.860 -10.383 6.507 1.00 0.00 H new ATOM 659 N PHE A 167 0.717 -5.458 1.101 1.00 0.00 N ATOM 660 CA PHE A 167 1.946 -4.882 0.568 1.00 0.00 C ATOM 661 C PHE A 167 3.172 -5.563 1.166 1.00 0.00 C ATOM 662 O PHE A 167 3.309 -5.659 2.386 1.00 0.00 O ATOM 663 CB PHE A 167 1.994 -3.380 0.852 1.00 0.00 C ATOM 664 CG PHE A 167 3.052 -2.654 0.072 1.00 0.00 C ATOM 665 CD1 PHE A 167 2.867 -2.365 -1.272 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.231 -2.258 0.681 1.00 0.00 C ATOM 667 CE1 PHE A 167 3.838 -1.697 -1.991 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.207 -1.590 -0.035 1.00 0.00 C ATOM 669 CZ PHE A 167 5.010 -1.309 -1.371 1.00 0.00 C ATOM 0 H PHE A 167 0.281 -4.909 1.842 1.00 0.00 H new ATOM 0 HA PHE A 167 1.954 -5.042 -0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.022 -2.944 0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.169 -3.225 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 167 1.953 -2.666 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.390 -2.473 1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 167 3.682 -1.478 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.123 -1.288 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.771 -0.786 -1.932 1.00 0.00 H new ATOM 679 N CYS A 168 4.063 -6.036 0.300 1.00 0.00 N ATOM 680 CA CYS A 168 5.278 -6.708 0.743 1.00 0.00 C ATOM 681 C CYS A 168 6.515 -5.898 0.366 1.00 0.00 C ATOM 682 O CYS A 168 6.653 -5.450 -0.773 1.00 0.00 O ATOM 683 CB CYS A 168 5.366 -8.109 0.131 1.00 0.00 C ATOM 684 SG CYS A 168 5.005 -8.164 -1.639 1.00 0.00 S ATOM 0 H CYS A 168 3.966 -5.966 -0.713 1.00 0.00 H new ATOM 0 HA CYS A 168 5.239 -6.796 1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 168 6.367 -8.505 0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 168 4.671 -8.766 0.653 1.00 0.00 H new ATOM 0 HG CYS A 168 5.310 -9.338 -2.108 1.00 0.00 H new ATOM 690 N GLN A 169 7.412 -5.714 1.328 1.00 0.00 N ATOM 691 CA GLN A 169 8.637 -4.958 1.098 1.00 0.00 C ATOM 692 C GLN A 169 9.524 -5.654 0.070 1.00 0.00 C ATOM 693 O GLN A 169 10.260 -5.003 -0.671 1.00 0.00 O ATOM 694 CB GLN A 169 9.405 -4.776 2.410 1.00 0.00 C ATOM 695 CG GLN A 169 8.552 -4.228 3.542 1.00 0.00 C ATOM 696 CD GLN A 169 9.364 -3.908 4.780 1.00 0.00 C ATOM 697 OE1 GLN A 169 9.300 -4.620 5.782 1.00 0.00 O ATOM 698 NE2 GLN A 169 10.137 -2.830 4.718 1.00 0.00 N ATOM 0 H GLN A 169 7.314 -6.079 2.276 1.00 0.00 H new ATOM 0 HA GLN A 169 8.359 -3.979 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.823 -5.736 2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.245 -4.102 2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 169 8.041 -3.326 3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 169 7.781 -4.955 3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 169 10.160 -2.267 3.868 1.00 0.00 H new ATOM 0 HE22 GLN A 169 10.707 -2.565 5.521 1.00 0.00 H new ATOM 707 N GLN A 170 9.449 -6.981 0.031 1.00 0.00 N ATOM 708 CA GLN A 170 10.245 -7.765 -0.906 1.00 0.00 C ATOM 709 C GLN A 170 9.929 -7.377 -2.348 1.00 0.00 C ATOM 710 O GLN A 170 10.711 -6.686 -3.001 1.00 0.00 O ATOM 711 CB GLN A 170 9.991 -9.258 -0.698 1.00 0.00 C ATOM 712 CG GLN A 170 10.801 -9.863 0.437 1.00 0.00 C ATOM 713 CD GLN A 170 10.004 -10.856 1.259 1.00 0.00 C ATOM 714 OE1 GLN A 170 10.446 -11.981 1.494 1.00 0.00 O ATOM 715 NE2 GLN A 170 8.821 -10.443 1.701 1.00 0.00 N ATOM 0 H GLN A 170 8.845 -7.535 0.638 1.00 0.00 H new ATOM 0 HA GLN A 170 11.297 -7.553 -0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 170 8.931 -9.413 -0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 170 10.223 -9.789 -1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 170 11.680 -10.360 0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 170 11.161 -9.065 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 170 8.495 -9.502 1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 170 8.239 -11.067 2.260 1.00 0.00 H new ATOM 724 N CYS A 171 8.779 -7.829 -2.837 1.00 0.00 N ATOM 725 CA CYS A 171 8.360 -7.530 -4.202 1.00 0.00 C ATOM 726 C CYS A 171 7.974 -6.061 -4.348 1.00 0.00 C ATOM 727 O CYS A 171 8.068 -5.492 -5.435 1.00 0.00 O ATOM 728 CB CYS A 171 7.181 -8.421 -4.600 1.00 0.00 C ATOM 729 SG CYS A 171 7.662 -9.963 -5.409 1.00 0.00 S ATOM 0 H CYS A 171 8.121 -8.403 -2.309 1.00 0.00 H new ATOM 0 HA CYS A 171 9.202 -7.731 -4.865 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.600 -8.657 -3.708 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.526 -7.862 -5.268 1.00 0.00 H new ATOM 0 HG CYS A 171 6.598 -10.648 -5.705 1.00 0.00 H new ATOM 735 N SER A 172 7.538 -5.452 -3.248 1.00 0.00 N ATOM 736 CA SER A 172 7.138 -4.050 -3.257 1.00 0.00 C ATOM 737 C SER A 172 5.927 -3.837 -4.160 1.00 0.00 C ATOM 738 O SER A 172 5.766 -2.774 -4.760 1.00 0.00 O ATOM 739 CB SER A 172 8.298 -3.167 -3.722 1.00 0.00 C ATOM 740 OG SER A 172 9.033 -2.668 -2.619 1.00 0.00 O ATOM 0 H SER A 172 7.453 -5.909 -2.340 1.00 0.00 H new ATOM 0 HA SER A 172 6.865 -3.770 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 172 8.958 -3.741 -4.373 1.00 0.00 H new ATOM 0 HB3 SER A 172 7.912 -2.336 -4.312 1.00 0.00 H new ATOM 0 HG SER A 172 9.922 -2.385 -2.919 1.00 0.00 H new ATOM 746 N ARG A 173 5.076 -4.854 -4.250 1.00 0.00 N ATOM 747 CA ARG A 173 3.878 -4.779 -5.078 1.00 0.00 C ATOM 748 C ARG A 173 2.686 -5.405 -4.365 1.00 0.00 C ATOM 749 O ARG A 173 2.829 -6.397 -3.648 1.00 0.00 O ATOM 750 CB ARG A 173 4.114 -5.481 -6.417 1.00 0.00 C ATOM 751 CG ARG A 173 5.189 -4.825 -7.268 1.00 0.00 C ATOM 752 CD ARG A 173 4.858 -4.910 -8.749 1.00 0.00 C ATOM 753 NE ARG A 173 4.089 -3.755 -9.204 1.00 0.00 N ATOM 754 CZ ARG A 173 3.381 -3.734 -10.333 1.00 0.00 C ATOM 755 NH1 ARG A 173 3.343 -4.802 -11.120 1.00 0.00 N ATOM 756 NH2 ARG A 173 2.710 -2.642 -10.673 1.00 0.00 N ATOM 0 H ARG A 173 5.194 -5.740 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 173 3.657 -3.727 -5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 173 4.393 -6.518 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 173 3.179 -5.499 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 173 5.296 -3.780 -6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 173 6.148 -5.308 -7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 173 5.782 -4.980 -9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 173 4.292 -5.821 -8.943 1.00 0.00 H new ATOM 0 HE ARG A 173 4.094 -2.916 -8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 173 3.857 -5.644 -10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 173 2.800 -4.781 -11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 173 2.736 -1.819 -10.071 1.00 0.00 H new ATOM 0 HH22 ARG A 173 2.168 -2.625 -11.537 1.00 0.00 H new ATOM 770 N PHE A 174 1.509 -4.821 -4.563 1.00 0.00 N ATOM 771 CA PHE A 174 0.290 -5.322 -3.938 1.00 0.00 C ATOM 772 C PHE A 174 -0.109 -6.670 -4.529 1.00 0.00 C ATOM 773 O PHE A 174 -0.751 -6.733 -5.578 1.00 0.00 O ATOM 774 CB PHE A 174 -0.848 -4.315 -4.114 1.00 0.00 C ATOM 775 CG PHE A 174 -1.004 -3.376 -2.951 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.021 -3.859 -1.653 1.00 0.00 C ATOM 777 CD2 PHE A 174 -1.133 -2.014 -3.158 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.165 -2.997 -0.581 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.276 -1.147 -2.092 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.291 -1.640 -0.800 1.00 0.00 C ATOM 0 H PHE A 174 1.373 -3.999 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 174 0.484 -5.457 -2.874 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.671 -3.734 -5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.782 -4.857 -4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.921 -4.920 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -1.122 -1.624 -4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.179 -3.385 0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.376 -0.086 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.401 -0.965 0.036 1.00 0.00 H new ATOM 790 N HIS A 175 0.272 -7.745 -3.848 1.00 0.00 N ATOM 791 CA HIS A 175 -0.048 -9.093 -4.304 1.00 0.00 C ATOM 792 C HIS A 175 -1.196 -9.684 -3.492 1.00 0.00 C ATOM 793 O HIS A 175 -1.314 -9.434 -2.292 1.00 0.00 O ATOM 794 CB HIS A 175 1.183 -9.995 -4.200 1.00 0.00 C ATOM 795 CG HIS A 175 2.083 -9.918 -5.392 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.442 -11.023 -6.138 1.00 0.00 N ATOM 797 CD2 HIS A 175 2.698 -8.860 -5.971 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.240 -10.646 -7.121 1.00 0.00 C ATOM 799 NE2 HIS A 175 3.410 -9.340 -7.043 1.00 0.00 N ATOM 0 H HIS A 175 0.803 -7.709 -2.978 1.00 0.00 H new ATOM 0 HA HIS A 175 -0.358 -9.032 -5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.749 -9.722 -3.309 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.857 -11.027 -4.067 1.00 0.00 H new ATOM 0 HD2 HIS A 175 2.640 -7.831 -5.650 1.00 0.00 H new ATOM 0 HE1 HIS A 175 3.679 -11.297 -7.863 1.00 0.00 H new ATOM 0 HE2 HIS A 175 3.978 -8.778 -7.676 1.00 0.00 H new ATOM 807 N VAL A 176 -2.041 -10.467 -4.155 1.00 0.00 N ATOM 808 CA VAL A 176 -3.182 -11.095 -3.497 1.00 0.00 C ATOM 809 C VAL A 176 -2.752 -11.846 -2.240 1.00 0.00 C ATOM 810 O VAL A 176 -1.565 -11.927 -1.928 1.00 0.00 O ATOM 811 CB VAL A 176 -3.906 -12.071 -4.442 1.00 0.00 C ATOM 812 CG1 VAL A 176 -4.723 -11.310 -5.474 1.00 0.00 C ATOM 813 CG2 VAL A 176 -2.908 -12.999 -5.118 1.00 0.00 C ATOM 0 H VAL A 176 -1.957 -10.682 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.866 -10.293 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.590 -12.680 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -5.227 -12.017 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.465 -10.693 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -4.063 -10.673 -6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.438 -13.682 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -2.197 -12.409 -5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.373 -13.572 -4.361 1.00 0.00 H new ATOM 823 N LEU A 177 -3.728 -12.394 -1.522 1.00 0.00 N ATOM 824 CA LEU A 177 -3.450 -13.138 -0.299 1.00 0.00 C ATOM 825 C LEU A 177 -3.423 -14.639 -0.568 1.00 0.00 C ATOM 826 O LEU A 177 -3.771 -15.440 0.299 1.00 0.00 O ATOM 827 CB LEU A 177 -4.502 -12.817 0.766 1.00 0.00 C ATOM 828 CG LEU A 177 -4.910 -11.346 0.851 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.322 -11.214 1.401 1.00 0.00 C ATOM 830 CD2 LEU A 177 -3.926 -10.570 1.713 1.00 0.00 C ATOM 0 H LEU A 177 -4.717 -12.337 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.468 -12.836 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.392 -13.414 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.120 -13.129 1.738 1.00 0.00 H new ATOM 0 HG LEU A 177 -4.893 -10.925 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.595 -10.160 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -7.018 -11.736 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.366 -11.651 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.231 -9.525 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -3.911 -10.992 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -2.929 -10.636 1.277 1.00 0.00 H new ATOM 842 N GLU A 178 -3.007 -15.013 -1.773 1.00 0.00 N ATOM 843 CA GLU A 178 -2.933 -16.417 -2.154 1.00 0.00 C ATOM 844 C GLU A 178 -1.500 -16.932 -2.063 1.00 0.00 C ATOM 845 O GLU A 178 -1.077 -17.767 -2.862 1.00 0.00 O ATOM 846 CB GLU A 178 -3.469 -16.611 -3.575 1.00 0.00 C ATOM 847 CG GLU A 178 -4.851 -16.018 -3.789 1.00 0.00 C ATOM 848 CD GLU A 178 -5.844 -17.028 -4.332 1.00 0.00 C ATOM 849 OE1 GLU A 178 -5.753 -17.365 -5.531 1.00 0.00 O ATOM 850 OE2 GLU A 178 -6.712 -17.483 -3.557 1.00 0.00 O ATOM 0 H GLU A 178 -2.716 -14.362 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 178 -3.549 -16.988 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -2.774 -16.157 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -3.501 -17.677 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -5.222 -15.622 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -4.778 -15.178 -4.480 1.00 0.00 H new ATOM 857 N GLU A 179 -0.758 -16.427 -1.084 1.00 0.00 N ATOM 858 CA GLU A 179 0.628 -16.835 -0.886 1.00 0.00 C ATOM 859 C GLU A 179 1.128 -16.410 0.491 1.00 0.00 C ATOM 860 O GLU A 179 1.772 -17.188 1.196 1.00 0.00 O ATOM 861 CB GLU A 179 1.519 -16.231 -1.973 1.00 0.00 C ATOM 862 CG GLU A 179 2.879 -16.902 -2.088 1.00 0.00 C ATOM 863 CD GLU A 179 2.945 -17.889 -3.237 1.00 0.00 C ATOM 864 OE1 GLU A 179 2.342 -18.976 -3.124 1.00 0.00 O ATOM 865 OE2 GLU A 179 3.603 -17.575 -4.251 1.00 0.00 O ATOM 0 H GLU A 179 -1.093 -15.734 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 179 0.674 -17.922 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.006 -16.302 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 179 1.663 -15.171 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 179 3.646 -16.140 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 179 3.105 -17.419 -1.156 1.00 0.00 H new ATOM 872 N PHE A 180 0.826 -15.173 0.869 1.00 0.00 N ATOM 873 CA PHE A 180 1.244 -14.644 2.161 1.00 0.00 C ATOM 874 C PHE A 180 0.378 -15.208 3.284 1.00 0.00 C ATOM 875 O PHE A 180 -0.851 -15.183 3.207 1.00 0.00 O ATOM 876 CB PHE A 180 1.167 -13.116 2.162 1.00 0.00 C ATOM 877 CG PHE A 180 1.944 -12.475 1.048 1.00 0.00 C ATOM 878 CD1 PHE A 180 3.300 -12.228 1.187 1.00 0.00 C ATOM 879 CD2 PHE A 180 1.319 -12.122 -0.137 1.00 0.00 C ATOM 880 CE1 PHE A 180 4.018 -11.638 0.163 1.00 0.00 C ATOM 881 CE2 PHE A 180 2.032 -11.532 -1.163 1.00 0.00 C ATOM 882 CZ PHE A 180 3.383 -11.290 -1.013 1.00 0.00 C ATOM 0 H PHE A 180 0.293 -14.517 0.298 1.00 0.00 H new ATOM 0 HA PHE A 180 2.277 -14.948 2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 180 0.123 -12.813 2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 180 1.539 -12.742 3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 180 3.801 -12.499 2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 180 0.263 -12.310 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 180 5.075 -11.449 0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 180 1.533 -11.260 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 180 3.942 -10.829 -1.814 1.00 0.00 H new ATOM 892 N ASP A 181 1.026 -15.716 4.328 1.00 0.00 N ATOM 893 CA ASP A 181 0.315 -16.285 5.466 1.00 0.00 C ATOM 894 C ASP A 181 -0.565 -17.453 5.030 1.00 0.00 C ATOM 895 O ASP A 181 -1.430 -17.871 5.828 1.00 0.00 O ATOM 896 CB ASP A 181 -0.539 -15.215 6.147 1.00 0.00 C ATOM 897 CG ASP A 181 0.241 -13.945 6.427 1.00 0.00 C ATOM 898 OD1 ASP A 181 1.246 -14.017 7.164 1.00 0.00 O ATOM 899 OD2 ASP A 181 -0.155 -12.880 5.910 1.00 0.00 O ATOM 900 OXT ASP A 181 -0.381 -17.939 3.894 1.00 0.00 O ATOM 0 H ASP A 181 2.042 -15.745 4.409 1.00 0.00 H new ATOM 0 HA ASP A 181 1.055 -16.656 6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 181 -1.395 -14.980 5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 181 -0.933 -15.610 7.083 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.403 3.470 2.552 1.00 0.00 ZN