USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=14 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 180:sc= 0 USER MOD Set 1.2: A 172 SER OG : rot -48:sc= 0.576 USER MOD Set 2.1: A 168 CYS SG : rot -148:sc= 0.466 USER MOD Set 2.2: A 171 CYS SG : rot 161:sc= 0.426 USER MOD Set 3.1: A 156 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 157 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.1: A 143 HIS : no HE2:sc= -3.9 X(o=-4.8,f=-5.1!) USER MOD Set 5.2: A 153 SER OG : rot -129:sc= -0.932 USER MOD Single : A 126 CYS SG : rot 180:sc= 0.0675 USER MOD Single : A 128 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.37) USER MOD Single : A 131 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.9!) USER MOD Single : A 137 SER OG : rot -117:sc= 0.293 USER MOD Single : A 138 LYS NZ :NH3+ 153:sc= -0.113 (180deg=-0.497) USER MOD Single : A 140 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0655) USER MOD Single : A 146 HIS : no HD1:sc= 1.8 K(o=1.8,f=-7.1!) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 169:sc= 0 (180deg=-0.0631) USER MOD Single : A 165 GLN : amide:sc= -2.38 K(o=-2.4,f=-3.1!) USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 175 HIS : no HE2:sc= -0.0974 K(o=-0.097,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.940 14.226 -6.641 1.00 0.00 N ATOM 2 CA ALA A 124 1.923 13.888 -5.613 1.00 0.00 C ATOM 3 C ALA A 124 1.046 12.727 -6.072 1.00 0.00 C ATOM 4 O ALA A 124 0.297 12.847 -7.041 1.00 0.00 O ATOM 5 CB ALA A 124 1.065 15.104 -5.299 1.00 0.00 C ATOM 0 HA ALA A 124 2.446 13.582 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.324 14.841 -4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.697 15.908 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.558 15.435 -6.205 1.00 0.00 H new ATOM 11 N ILE A 125 1.143 11.604 -5.366 1.00 0.00 N ATOM 12 CA ILE A 125 0.359 10.421 -5.701 1.00 0.00 C ATOM 13 C ILE A 125 -0.473 9.960 -4.509 1.00 0.00 C ATOM 14 O ILE A 125 0.005 9.942 -3.375 1.00 0.00 O ATOM 15 CB ILE A 125 1.260 9.261 -6.162 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.252 9.746 -7.221 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.417 8.116 -6.703 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.299 8.717 -7.586 1.00 0.00 C ATOM 0 H ILE A 125 1.756 11.489 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.304 10.702 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 125 1.823 8.896 -5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.703 10.028 -8.119 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.749 10.645 -6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.069 7.304 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.252 7.756 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.171 8.466 -7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.967 9.130 -8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.874 8.452 -6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.811 7.826 -7.981 1.00 0.00 H new ATOM 30 N CYS A 126 -1.721 9.589 -4.774 1.00 0.00 N ATOM 31 CA CYS A 126 -2.621 9.129 -3.722 1.00 0.00 C ATOM 32 C CYS A 126 -2.566 7.611 -3.585 1.00 0.00 C ATOM 33 O CYS A 126 -2.232 6.903 -4.535 1.00 0.00 O ATOM 34 CB CYS A 126 -4.054 9.575 -4.018 1.00 0.00 C ATOM 35 SG CYS A 126 -4.672 9.047 -5.633 1.00 0.00 S ATOM 0 H CYS A 126 -2.132 9.598 -5.707 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.297 9.572 -2.780 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.713 9.183 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.104 10.662 -3.959 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.891 9.470 -5.790 1.00 0.00 H new ATOM 41 N CYS A 127 -2.895 7.118 -2.395 1.00 0.00 N ATOM 42 CA CYS A 127 -2.883 5.683 -2.132 1.00 0.00 C ATOM 43 C CYS A 127 -3.836 4.951 -3.071 1.00 0.00 C ATOM 44 O CYS A 127 -4.891 5.475 -3.432 1.00 0.00 O ATOM 45 CB CYS A 127 -3.267 5.407 -0.678 1.00 0.00 C ATOM 46 SG CYS A 127 -2.893 3.729 -0.120 1.00 0.00 S ATOM 0 H CYS A 127 -3.173 7.691 -1.598 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.873 5.314 -2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.746 6.116 -0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.334 5.590 -0.555 1.00 0.00 H new ATOM 51 N GLN A 128 -3.461 3.737 -3.464 1.00 0.00 N ATOM 52 CA GLN A 128 -4.285 2.936 -4.361 1.00 0.00 C ATOM 53 C GLN A 128 -5.137 1.942 -3.576 1.00 0.00 C ATOM 54 O GLN A 128 -5.468 0.865 -4.074 1.00 0.00 O ATOM 55 CB GLN A 128 -3.406 2.190 -5.366 1.00 0.00 C ATOM 56 CG GLN A 128 -2.509 1.140 -4.731 1.00 0.00 C ATOM 57 CD GLN A 128 -1.433 0.642 -5.677 1.00 0.00 C ATOM 58 OE1 GLN A 128 -1.727 0.147 -6.765 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.178 0.769 -5.264 1.00 0.00 N ATOM 0 H GLN A 128 -2.592 3.287 -3.175 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.950 3.610 -4.901 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -4.044 1.710 -6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -2.786 2.911 -5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.039 1.559 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -3.118 0.297 -4.404 1.00 0.00 H new ATOM 0 HE21 GLN A 128 0.020 1.186 -4.354 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.589 0.450 -5.856 1.00 0.00 H new ATOM 68 N VAL A 129 -5.491 2.310 -2.349 1.00 0.00 N ATOM 69 CA VAL A 129 -6.305 1.452 -1.497 1.00 0.00 C ATOM 70 C VAL A 129 -7.616 2.134 -1.127 1.00 0.00 C ATOM 71 O VAL A 129 -7.621 3.223 -0.552 1.00 0.00 O ATOM 72 CB VAL A 129 -5.552 1.065 -0.208 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.395 0.133 0.650 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.210 0.426 -0.543 1.00 0.00 C ATOM 0 H VAL A 129 -5.226 3.198 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.519 0.547 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.364 1.974 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.844 -0.127 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.325 0.631 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.620 -0.774 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.693 0.160 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.373 -0.472 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.602 1.132 -1.109 1.00 0.00 H new ATOM 84 N ASP A 130 -8.729 1.488 -1.461 1.00 0.00 N ATOM 85 CA ASP A 130 -10.048 2.032 -1.163 1.00 0.00 C ATOM 86 C ASP A 130 -10.223 2.245 0.336 1.00 0.00 C ATOM 87 O ASP A 130 -9.565 1.592 1.147 1.00 0.00 O ATOM 88 CB ASP A 130 -11.139 1.097 -1.689 1.00 0.00 C ATOM 89 CG ASP A 130 -11.319 1.202 -3.190 1.00 0.00 C ATOM 90 OD1 ASP A 130 -11.187 2.322 -3.727 1.00 0.00 O ATOM 91 OD2 ASP A 130 -11.590 0.164 -3.829 1.00 0.00 O ATOM 0 H ASP A 130 -8.743 0.587 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 130 -10.136 2.998 -1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.889 0.069 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -12.082 1.331 -1.196 1.00 0.00 H new ATOM 96 N ASN A 131 -11.114 3.162 0.700 1.00 0.00 N ATOM 97 CA ASN A 131 -11.376 3.461 2.103 1.00 0.00 C ATOM 98 C ASN A 131 -10.126 4.003 2.788 1.00 0.00 C ATOM 99 O ASN A 131 -9.942 3.827 3.993 1.00 0.00 O ATOM 100 CB ASN A 131 -11.869 2.209 2.830 1.00 0.00 C ATOM 101 CG ASN A 131 -13.074 1.584 2.155 1.00 0.00 C ATOM 102 OD1 ASN A 131 -13.141 1.503 0.929 1.00 0.00 O ATOM 103 ND2 ASN A 131 -14.037 1.140 2.955 1.00 0.00 N ATOM 0 H ASN A 131 -11.667 3.711 0.042 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.151 4.226 2.146 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.062 1.478 2.876 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.125 2.466 3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.873 0.712 2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.940 1.227 3.967 1.00 0.00 H new ATOM 110 N CYS A 132 -9.270 4.664 2.015 1.00 0.00 N ATOM 111 CA CYS A 132 -8.037 5.232 2.553 1.00 0.00 C ATOM 112 C CYS A 132 -7.867 6.684 2.110 1.00 0.00 C ATOM 113 O CYS A 132 -7.959 7.604 2.923 1.00 0.00 O ATOM 114 CB CYS A 132 -6.830 4.403 2.113 1.00 0.00 C ATOM 115 SG CYS A 132 -5.295 4.829 2.971 1.00 0.00 S ATOM 0 H CYS A 132 -9.406 4.820 1.016 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.102 5.210 3.641 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.047 3.348 2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.684 4.533 1.041 1.00 0.00 H new ATOM 120 N GLY A 133 -7.618 6.884 0.818 1.00 0.00 N ATOM 121 CA GLY A 133 -7.439 8.226 0.298 1.00 0.00 C ATOM 122 C GLY A 133 -6.297 8.962 0.971 1.00 0.00 C ATOM 123 O GLY A 133 -6.475 10.073 1.470 1.00 0.00 O ATOM 0 H GLY A 133 -7.537 6.141 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.252 8.175 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.361 8.791 0.434 1.00 0.00 H new ATOM 127 N ALA A 134 -5.123 8.341 0.986 1.00 0.00 N ATOM 128 CA ALA A 134 -3.947 8.944 1.603 1.00 0.00 C ATOM 129 C ALA A 134 -3.052 9.596 0.557 1.00 0.00 C ATOM 130 O ALA A 134 -2.833 9.040 -0.519 1.00 0.00 O ATOM 131 CB ALA A 134 -3.171 7.898 2.389 1.00 0.00 C ATOM 0 H ALA A 134 -4.960 7.420 0.578 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.284 9.722 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.296 8.361 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.809 7.482 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -2.852 7.101 1.717 1.00 0.00 H new ATOM 137 N ASP A 135 -2.535 10.776 0.879 1.00 0.00 N ATOM 138 CA ASP A 135 -1.661 11.503 -0.033 1.00 0.00 C ATOM 139 C ASP A 135 -0.202 11.119 0.186 1.00 0.00 C ATOM 140 O ASP A 135 0.287 11.118 1.315 1.00 0.00 O ATOM 141 CB ASP A 135 -1.836 13.012 0.153 1.00 0.00 C ATOM 142 CG ASP A 135 -1.705 13.776 -1.149 1.00 0.00 C ATOM 143 OD1 ASP A 135 -1.854 13.151 -2.221 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.453 14.998 -1.099 1.00 0.00 O ATOM 0 H ASP A 135 -2.706 11.250 1.766 1.00 0.00 H new ATOM 0 HA ASP A 135 -1.939 11.234 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.815 13.210 0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.092 13.376 0.861 1.00 0.00 H new ATOM 149 N LEU A 136 0.487 10.790 -0.902 1.00 0.00 N ATOM 150 CA LEU A 136 1.890 10.402 -0.829 1.00 0.00 C ATOM 151 C LEU A 136 2.796 11.548 -1.269 1.00 0.00 C ATOM 152 O LEU A 136 3.847 11.325 -1.869 1.00 0.00 O ATOM 153 CB LEU A 136 2.147 9.170 -1.699 1.00 0.00 C ATOM 154 CG LEU A 136 1.166 8.014 -1.491 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.102 7.138 -2.733 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.564 7.191 -0.275 1.00 0.00 C ATOM 0 H LEU A 136 0.096 10.785 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 136 2.120 10.159 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.114 9.470 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.157 8.809 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 136 0.174 8.431 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.400 6.321 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.770 7.735 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.091 6.729 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.856 6.373 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.564 6.784 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.557 7.825 0.612 1.00 0.00 H new ATOM 168 N SER A 137 2.379 12.774 -0.968 1.00 0.00 N ATOM 169 CA SER A 137 3.153 13.955 -1.334 1.00 0.00 C ATOM 170 C SER A 137 4.060 14.389 -0.187 1.00 0.00 C ATOM 171 O SER A 137 5.141 14.932 -0.409 1.00 0.00 O ATOM 172 CB SER A 137 2.218 15.103 -1.721 1.00 0.00 C ATOM 173 OG SER A 137 1.527 15.602 -0.589 1.00 0.00 O ATOM 0 H SER A 137 1.511 12.975 -0.472 1.00 0.00 H new ATOM 0 HA SER A 137 3.777 13.698 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 137 2.794 15.905 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.501 14.757 -2.465 1.00 0.00 H new ATOM 0 HG SER A 137 0.565 15.454 -0.701 1.00 0.00 H new ATOM 179 N LYS A 138 3.611 14.145 1.040 1.00 0.00 N ATOM 180 CA LYS A 138 4.382 14.510 2.224 1.00 0.00 C ATOM 181 C LYS A 138 5.333 13.386 2.631 1.00 0.00 C ATOM 182 O LYS A 138 6.307 13.617 3.346 1.00 0.00 O ATOM 183 CB LYS A 138 3.443 14.845 3.384 1.00 0.00 C ATOM 184 CG LYS A 138 3.901 16.035 4.212 1.00 0.00 C ATOM 185 CD LYS A 138 3.346 15.977 5.626 1.00 0.00 C ATOM 186 CE LYS A 138 4.376 15.444 6.609 1.00 0.00 C ATOM 187 NZ LYS A 138 5.545 16.357 6.738 1.00 0.00 N ATOM 0 H LYS A 138 2.717 13.696 1.241 1.00 0.00 H new ATOM 0 HA LYS A 138 4.978 15.389 1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.448 15.049 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.355 13.974 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.990 16.057 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.580 16.959 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.029 16.973 5.934 1.00 0.00 H new ATOM 0 HD3 LYS A 138 2.461 15.341 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 138 3.911 15.310 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.717 14.462 6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.975 16.240 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.247 16.128 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.231 17.342 6.621 1.00 0.00 H new ATOM 201 N VAL A 139 5.045 12.170 2.171 1.00 0.00 N ATOM 202 CA VAL A 139 5.877 11.014 2.490 1.00 0.00 C ATOM 203 C VAL A 139 7.342 11.275 2.154 1.00 0.00 C ATOM 204 O VAL A 139 7.683 12.304 1.572 1.00 0.00 O ATOM 205 CB VAL A 139 5.406 9.758 1.734 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.038 9.315 2.229 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.380 10.016 0.235 1.00 0.00 C ATOM 0 H VAL A 139 4.243 11.961 1.577 1.00 0.00 H new ATOM 0 HA VAL A 139 5.780 10.844 3.562 1.00 0.00 H new ATOM 0 HB VAL A 139 6.114 8.953 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 139 3.723 8.426 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.093 9.086 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.316 10.115 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 139 5.045 9.117 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.696 10.836 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.381 10.279 -0.106 1.00 0.00 H new ATOM 217 N LYS A 140 8.205 10.335 2.528 1.00 0.00 N ATOM 218 CA LYS A 140 9.634 10.463 2.268 1.00 0.00 C ATOM 219 C LYS A 140 9.946 10.208 0.799 1.00 0.00 C ATOM 220 O LYS A 140 10.350 11.115 0.070 1.00 0.00 O ATOM 221 CB LYS A 140 10.423 9.492 3.146 1.00 0.00 C ATOM 222 CG LYS A 140 10.060 9.571 4.619 1.00 0.00 C ATOM 223 CD LYS A 140 10.493 8.321 5.369 1.00 0.00 C ATOM 224 CE LYS A 140 9.829 8.231 6.735 1.00 0.00 C ATOM 225 NZ LYS A 140 10.111 9.433 7.567 1.00 0.00 N ATOM 0 H LYS A 140 7.939 9.477 3.012 1.00 0.00 H new ATOM 0 HA LYS A 140 9.931 11.483 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.252 8.475 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.488 9.695 3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.533 10.446 5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 140 8.983 9.704 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 140 10.241 7.438 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 140 11.576 8.325 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 140 8.752 8.121 6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 140 10.182 7.339 7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 9.804 9.258 8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 11.132 9.632 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 9.594 10.250 7.183 1.00 0.00 H new ATOM 239 N ASP A 141 9.757 8.968 0.374 1.00 0.00 N ATOM 240 CA ASP A 141 10.017 8.583 -1.010 1.00 0.00 C ATOM 241 C ASP A 141 9.598 7.138 -1.261 1.00 0.00 C ATOM 242 O ASP A 141 9.035 6.817 -2.308 1.00 0.00 O ATOM 243 CB ASP A 141 11.500 8.764 -1.341 1.00 0.00 C ATOM 244 CG ASP A 141 11.715 9.404 -2.699 1.00 0.00 C ATOM 245 OD1 ASP A 141 11.036 10.410 -2.996 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.560 8.897 -3.466 1.00 0.00 O ATOM 0 H ASP A 141 9.424 8.208 0.967 1.00 0.00 H new ATOM 0 HA ASP A 141 9.426 9.230 -1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.968 9.380 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.996 7.794 -1.317 1.00 0.00 H new ATOM 251 N TYR A 142 9.879 6.268 -0.296 1.00 0.00 N ATOM 252 CA TYR A 142 9.530 4.856 -0.413 1.00 0.00 C ATOM 253 C TYR A 142 8.067 4.624 -0.047 1.00 0.00 C ATOM 254 O TYR A 142 7.758 3.870 0.875 1.00 0.00 O ATOM 255 CB TYR A 142 10.437 4.011 0.486 1.00 0.00 C ATOM 256 CG TYR A 142 10.532 2.562 0.062 1.00 0.00 C ATOM 257 CD1 TYR A 142 11.462 2.157 -0.889 1.00 0.00 C ATOM 258 CD2 TYR A 142 9.693 1.601 0.610 1.00 0.00 C ATOM 259 CE1 TYR A 142 11.553 0.835 -1.279 1.00 0.00 C ATOM 260 CE2 TYR A 142 9.778 0.276 0.225 1.00 0.00 C ATOM 261 CZ TYR A 142 10.709 -0.100 -0.720 1.00 0.00 C ATOM 262 OH TYR A 142 10.796 -1.419 -1.106 1.00 0.00 O ATOM 0 H TYR A 142 10.347 6.516 0.576 1.00 0.00 H new ATOM 0 HA TYR A 142 9.676 4.554 -1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.437 4.446 0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 142 10.065 4.057 1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 142 12.124 2.888 -1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 142 8.962 1.893 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 142 12.282 0.536 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 142 9.119 -0.460 0.662 1.00 0.00 H new ATOM 0 HH TYR A 142 10.132 -1.948 -0.616 1.00 0.00 H new ATOM 272 N HIS A 143 7.170 5.279 -0.777 1.00 0.00 N ATOM 273 CA HIS A 143 5.739 5.145 -0.531 1.00 0.00 C ATOM 274 C HIS A 143 4.933 5.714 -1.697 1.00 0.00 C ATOM 275 O HIS A 143 3.985 5.087 -2.173 1.00 0.00 O ATOM 276 CB HIS A 143 5.352 5.861 0.765 1.00 0.00 C ATOM 277 CG HIS A 143 5.546 5.023 1.991 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.074 5.520 3.165 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.276 3.716 2.224 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.124 4.553 4.065 1.00 0.00 C ATOM 281 NE2 HIS A 143 5.644 3.451 3.520 1.00 0.00 N ATOM 0 H HIS A 143 7.409 5.908 -1.544 1.00 0.00 H new ATOM 0 HA HIS A 143 5.510 4.084 -0.434 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.945 6.771 0.859 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.307 6.166 0.704 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.378 6.482 3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.851 3.014 1.522 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.495 4.649 5.075 1.00 0.00 H new ATOM 289 N ARG A 144 5.315 6.902 -2.149 1.00 0.00 N ATOM 290 CA ARG A 144 4.628 7.557 -3.257 1.00 0.00 C ATOM 291 C ARG A 144 4.809 6.768 -4.550 1.00 0.00 C ATOM 292 O ARG A 144 3.836 6.443 -5.231 1.00 0.00 O ATOM 293 CB ARG A 144 5.153 8.983 -3.439 1.00 0.00 C ATOM 294 CG ARG A 144 4.444 9.756 -4.540 1.00 0.00 C ATOM 295 CD ARG A 144 5.430 10.502 -5.424 1.00 0.00 C ATOM 296 NE ARG A 144 6.336 11.344 -4.647 1.00 0.00 N ATOM 297 CZ ARG A 144 6.006 12.540 -4.164 1.00 0.00 C ATOM 298 NH1 ARG A 144 4.792 13.036 -4.372 1.00 0.00 N ATOM 299 NH2 ARG A 144 6.891 13.242 -3.470 1.00 0.00 N ATOM 0 H ARG A 144 6.097 7.433 -1.766 1.00 0.00 H new ATOM 0 HA ARG A 144 3.565 7.596 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 144 5.045 9.524 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.219 8.943 -3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 144 3.857 9.068 -5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 144 3.745 10.464 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 144 6.010 9.785 -6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 144 4.883 11.120 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 144 7.277 10.995 -4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 144 4.106 12.500 -4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 144 4.545 13.953 -3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 144 7.825 12.866 -3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 144 6.638 14.158 -3.100 1.00 0.00 H new ATOM 313 N ARG A 145 6.059 6.461 -4.881 1.00 0.00 N ATOM 314 CA ARG A 145 6.366 5.709 -6.092 1.00 0.00 C ATOM 315 C ARG A 145 5.674 4.349 -6.079 1.00 0.00 C ATOM 316 O ARG A 145 5.317 3.813 -7.128 1.00 0.00 O ATOM 317 CB ARG A 145 7.879 5.525 -6.232 1.00 0.00 C ATOM 318 CG ARG A 145 8.386 5.716 -7.653 1.00 0.00 C ATOM 319 CD ARG A 145 9.716 5.012 -7.872 1.00 0.00 C ATOM 320 NE ARG A 145 10.779 5.949 -8.230 1.00 0.00 N ATOM 321 CZ ARG A 145 11.920 5.589 -8.811 1.00 0.00 C ATOM 322 NH1 ARG A 145 12.152 4.315 -9.101 1.00 0.00 N ATOM 323 NH2 ARG A 145 12.833 6.505 -9.104 1.00 0.00 N ATOM 0 H ARG A 145 6.875 6.721 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 145 5.995 6.275 -6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.385 6.233 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.148 4.526 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 145 7.649 5.330 -8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 145 8.499 6.780 -7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 145 9.996 4.475 -6.965 1.00 0.00 H new ATOM 0 HD3 ARG A 145 9.607 4.269 -8.662 1.00 0.00 H new ATOM 0 HE ARG A 145 10.637 6.937 -8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 145 11.453 3.606 -8.878 1.00 0.00 H new ATOM 0 HH12 ARG A 145 13.029 4.045 -9.547 1.00 0.00 H new ATOM 0 HH21 ARG A 145 12.660 7.486 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 145 13.708 6.229 -9.550 1.00 0.00 H new ATOM 337 N HIS A 146 5.487 3.799 -4.884 1.00 0.00 N ATOM 338 CA HIS A 146 4.836 2.501 -4.733 1.00 0.00 C ATOM 339 C HIS A 146 3.313 2.637 -4.755 1.00 0.00 C ATOM 340 O HIS A 146 2.595 1.637 -4.762 1.00 0.00 O ATOM 341 CB HIS A 146 5.281 1.834 -3.431 1.00 0.00 C ATOM 342 CG HIS A 146 6.755 1.584 -3.360 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.571 1.561 -4.471 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.563 1.347 -2.299 1.00 0.00 C ATOM 345 CE1 HIS A 146 8.815 1.319 -4.098 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.837 1.187 -2.784 1.00 0.00 N ATOM 0 H HIS A 146 5.776 4.231 -4.006 1.00 0.00 H new ATOM 0 HA HIS A 146 5.134 1.878 -5.576 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.987 2.463 -2.591 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.754 0.886 -3.319 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.261 1.294 -1.263 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.668 1.242 -4.755 1.00 0.00 H new ATOM 0 HE2 HIS A 146 9.666 0.997 -2.221 1.00 0.00 H new ATOM 354 N LYS A 147 2.824 3.875 -4.763 1.00 0.00 N ATOM 355 CA LYS A 147 1.389 4.131 -4.783 1.00 0.00 C ATOM 356 C LYS A 147 0.712 3.558 -3.541 1.00 0.00 C ATOM 357 O LYS A 147 -0.429 3.101 -3.599 1.00 0.00 O ATOM 358 CB LYS A 147 0.757 3.532 -6.042 1.00 0.00 C ATOM 359 CG LYS A 147 1.012 4.351 -7.298 1.00 0.00 C ATOM 360 CD LYS A 147 2.007 3.664 -8.221 1.00 0.00 C ATOM 361 CE LYS A 147 2.914 4.670 -8.909 1.00 0.00 C ATOM 362 NZ LYS A 147 3.506 4.122 -10.160 1.00 0.00 N ATOM 0 H LYS A 147 3.402 4.716 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 147 1.242 5.211 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 147 1.146 2.524 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.318 3.440 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.072 4.509 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.391 5.335 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 147 2.611 2.960 -7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 147 1.469 3.085 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 147 2.346 5.571 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 147 3.713 4.963 -8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 4.118 4.840 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 4.069 3.277 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 2.745 3.866 -10.821 1.00 0.00 H new ATOM 376 N VAL A 148 1.424 3.590 -2.419 1.00 0.00 N ATOM 377 CA VAL A 148 0.890 3.076 -1.164 1.00 0.00 C ATOM 378 C VAL A 148 1.403 3.887 0.022 1.00 0.00 C ATOM 379 O VAL A 148 2.580 4.241 0.083 1.00 0.00 O ATOM 380 CB VAL A 148 1.259 1.591 -0.960 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.768 1.418 -0.874 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.577 1.038 0.282 1.00 0.00 C ATOM 0 H VAL A 148 2.370 3.966 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.195 3.166 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 148 0.905 1.027 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.006 0.364 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.228 1.771 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.153 1.995 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.848 -0.010 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.897 1.605 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.504 1.122 0.171 1.00 0.00 H new ATOM 392 N CYS A 149 0.511 4.180 0.962 1.00 0.00 N ATOM 393 CA CYS A 149 0.873 4.951 2.145 1.00 0.00 C ATOM 394 C CYS A 149 1.712 4.112 3.105 1.00 0.00 C ATOM 395 O CYS A 149 2.107 2.992 2.784 1.00 0.00 O ATOM 396 CB CYS A 149 -0.386 5.466 2.851 1.00 0.00 C ATOM 397 SG CYS A 149 -1.385 4.175 3.627 1.00 0.00 S ATOM 0 H CYS A 149 -0.468 3.895 0.927 1.00 0.00 H new ATOM 0 HA CYS A 149 1.471 5.805 1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.092 6.188 3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.002 6.000 2.127 1.00 0.00 H new ATOM 402 N GLU A 150 1.982 4.663 4.284 1.00 0.00 N ATOM 403 CA GLU A 150 2.774 3.970 5.289 1.00 0.00 C ATOM 404 C GLU A 150 1.952 2.892 5.991 1.00 0.00 C ATOM 405 O GLU A 150 2.492 1.879 6.438 1.00 0.00 O ATOM 406 CB GLU A 150 3.307 4.969 6.317 1.00 0.00 C ATOM 407 CG GLU A 150 2.256 5.940 6.827 1.00 0.00 C ATOM 408 CD GLU A 150 2.374 6.196 8.317 1.00 0.00 C ATOM 409 OE1 GLU A 150 3.460 5.947 8.878 1.00 0.00 O ATOM 410 OE2 GLU A 150 1.377 6.645 8.922 1.00 0.00 O ATOM 0 H GLU A 150 1.662 5.590 4.566 1.00 0.00 H new ATOM 0 HA GLU A 150 3.612 3.487 4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 150 3.722 4.420 7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 150 4.125 5.534 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 150 2.349 6.885 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 150 1.264 5.545 6.607 1.00 0.00 H new ATOM 417 N ILE A 151 0.646 3.117 6.086 1.00 0.00 N ATOM 418 CA ILE A 151 -0.249 2.166 6.735 1.00 0.00 C ATOM 419 C ILE A 151 -0.257 0.827 6.002 1.00 0.00 C ATOM 420 O ILE A 151 0.238 -0.176 6.514 1.00 0.00 O ATOM 421 CB ILE A 151 -1.690 2.710 6.811 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.703 4.099 7.453 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.583 1.754 7.592 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.203 4.108 8.881 1.00 0.00 C ATOM 0 H ILE A 151 0.184 3.950 5.722 1.00 0.00 H new ATOM 0 HA ILE A 151 0.128 2.018 7.747 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.080 2.793 5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.087 4.772 6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -2.719 4.492 7.430 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.596 2.155 7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.598 0.783 7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.195 1.639 8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.240 5.124 9.273 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.833 3.461 9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.175 3.745 8.909 1.00 0.00 H new ATOM 436 N HIS A 152 -0.825 0.820 4.800 1.00 0.00 N ATOM 437 CA HIS A 152 -0.900 -0.394 3.995 1.00 0.00 C ATOM 438 C HIS A 152 0.492 -0.940 3.683 1.00 0.00 C ATOM 439 O HIS A 152 0.644 -2.116 3.352 1.00 0.00 O ATOM 440 CB HIS A 152 -1.658 -0.121 2.695 1.00 0.00 C ATOM 441 CG HIS A 152 -3.116 0.148 2.902 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.680 1.399 2.761 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.130 -0.680 3.246 1.00 0.00 C ATOM 444 CE1 HIS A 152 -4.973 1.330 3.012 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.273 0.079 3.309 1.00 0.00 N ATOM 0 H HIS A 152 -1.240 1.642 4.362 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.437 -1.146 4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.206 0.734 2.192 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.545 -0.978 2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.054 -1.741 3.436 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.668 2.156 2.980 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.202 -0.267 3.547 1.00 0.00 H new ATOM 452 N SER A 153 1.503 -0.083 3.791 1.00 0.00 N ATOM 453 CA SER A 153 2.879 -0.488 3.518 1.00 0.00 C ATOM 454 C SER A 153 3.280 -1.677 4.389 1.00 0.00 C ATOM 455 O SER A 153 4.103 -2.501 3.990 1.00 0.00 O ATOM 456 CB SER A 153 3.835 0.684 3.757 1.00 0.00 C ATOM 457 OG SER A 153 4.560 0.999 2.581 1.00 0.00 O ATOM 0 H SER A 153 1.396 0.894 4.065 1.00 0.00 H new ATOM 0 HA SER A 153 2.943 -0.791 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.270 1.557 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.529 0.434 4.560 1.00 0.00 H new ATOM 0 HG SER A 153 5.517 1.040 2.788 1.00 0.00 H new ATOM 463 N LYS A 154 2.692 -1.758 5.579 1.00 0.00 N ATOM 464 CA LYS A 154 2.988 -2.846 6.504 1.00 0.00 C ATOM 465 C LYS A 154 1.703 -3.453 7.058 1.00 0.00 C ATOM 466 O LYS A 154 1.634 -3.827 8.228 1.00 0.00 O ATOM 467 CB LYS A 154 3.863 -2.341 7.653 1.00 0.00 C ATOM 468 CG LYS A 154 5.330 -2.193 7.282 1.00 0.00 C ATOM 469 CD LYS A 154 6.187 -1.901 8.504 1.00 0.00 C ATOM 470 CE LYS A 154 7.473 -2.711 8.489 1.00 0.00 C ATOM 471 NZ LYS A 154 7.325 -4.004 9.212 1.00 0.00 N ATOM 0 H LYS A 154 2.009 -1.084 5.925 1.00 0.00 H new ATOM 0 HA LYS A 154 3.528 -3.619 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.483 -1.377 7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.777 -3.030 8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.679 -3.107 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.443 -1.388 6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 154 6.426 -0.838 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 154 5.623 -2.129 9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.768 -2.904 7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 154 8.273 -2.129 8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 8.224 -4.526 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 7.068 -3.820 10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 6.579 -4.571 8.761 1.00 0.00 H new ATOM 485 N ALA A 155 0.685 -3.548 6.208 1.00 0.00 N ATOM 486 CA ALA A 155 -0.598 -4.110 6.612 1.00 0.00 C ATOM 487 C ALA A 155 -0.810 -5.490 5.999 1.00 0.00 C ATOM 488 O ALA A 155 -0.012 -5.947 5.182 1.00 0.00 O ATOM 489 CB ALA A 155 -1.730 -3.175 6.216 1.00 0.00 C ATOM 0 H ALA A 155 0.724 -3.243 5.235 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.594 -4.220 7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.683 -3.606 6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.594 -2.211 6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.726 -3.037 5.135 1.00 0.00 H new ATOM 495 N THR A 156 -1.892 -6.150 6.401 1.00 0.00 N ATOM 496 CA THR A 156 -2.209 -7.478 5.892 1.00 0.00 C ATOM 497 C THR A 156 -3.430 -7.440 4.979 1.00 0.00 C ATOM 498 O THR A 156 -3.531 -8.218 4.029 1.00 0.00 O ATOM 499 CB THR A 156 -2.473 -8.472 7.039 1.00 0.00 C ATOM 500 OG1 THR A 156 -3.553 -8.003 7.857 1.00 0.00 O ATOM 501 CG2 THR A 156 -1.227 -8.655 7.894 1.00 0.00 C ATOM 0 H THR A 156 -2.563 -5.786 7.077 1.00 0.00 H new ATOM 0 HA THR A 156 -1.342 -7.813 5.323 1.00 0.00 H new ATOM 0 HB THR A 156 -2.740 -9.434 6.601 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.715 -8.642 8.582 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.437 -9.361 8.697 1.00 0.00 H new ATOM 0 HG22 THR A 156 -0.415 -9.039 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 156 -0.935 -7.696 8.321 1.00 0.00 H new ATOM 509 N THR A 157 -4.355 -6.532 5.271 1.00 0.00 N ATOM 510 CA THR A 157 -5.570 -6.395 4.476 1.00 0.00 C ATOM 511 C THR A 157 -5.655 -5.010 3.841 1.00 0.00 C ATOM 512 O THR A 157 -5.563 -3.994 4.528 1.00 0.00 O ATOM 513 CB THR A 157 -6.830 -6.634 5.328 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.610 -6.177 6.668 1.00 0.00 O ATOM 515 CG2 THR A 157 -7.199 -8.108 5.345 1.00 0.00 C ATOM 0 H THR A 157 -4.287 -5.880 6.052 1.00 0.00 H new ATOM 0 HA THR A 157 -5.523 -7.151 3.692 1.00 0.00 H new ATOM 0 HB THR A 157 -7.653 -6.074 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.417 -6.331 7.203 1.00 0.00 H new ATOM 0 HG21 THR A 157 -8.092 -8.253 5.953 1.00 0.00 H new ATOM 0 HG22 THR A 157 -7.394 -8.446 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.376 -8.684 5.767 1.00 0.00 H new ATOM 523 N ALA A 158 -5.833 -4.981 2.523 1.00 0.00 N ATOM 524 CA ALA A 158 -5.932 -3.722 1.793 1.00 0.00 C ATOM 525 C ALA A 158 -6.848 -3.861 0.583 1.00 0.00 C ATOM 526 O ALA A 158 -6.583 -4.656 -0.320 1.00 0.00 O ATOM 527 CB ALA A 158 -4.550 -3.254 1.362 1.00 0.00 C ATOM 0 H ALA A 158 -5.911 -5.814 1.940 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.365 -2.976 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.638 -2.313 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.925 -3.107 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.096 -4.006 0.716 1.00 0.00 H new ATOM 533 N LEU A 159 -7.925 -3.085 0.571 1.00 0.00 N ATOM 534 CA LEU A 159 -8.882 -3.121 -0.530 1.00 0.00 C ATOM 535 C LEU A 159 -8.349 -2.357 -1.739 1.00 0.00 C ATOM 536 O LEU A 159 -8.290 -1.127 -1.731 1.00 0.00 O ATOM 537 CB LEU A 159 -10.223 -2.532 -0.089 1.00 0.00 C ATOM 538 CG LEU A 159 -11.456 -3.227 -0.668 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.383 -3.266 -2.186 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.590 -4.632 -0.103 1.00 0.00 C ATOM 0 H LEU A 159 -8.158 -2.423 1.311 1.00 0.00 H new ATOM 0 HA LEU A 159 -9.029 -4.162 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.280 -2.571 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.251 -1.480 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.339 -2.656 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -12.269 -3.764 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.336 -2.249 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.492 -3.813 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.473 -5.112 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.704 -5.213 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.690 -4.580 0.981 1.00 0.00 H new ATOM 552 N VAL A 160 -7.963 -3.095 -2.775 1.00 0.00 N ATOM 553 CA VAL A 160 -7.436 -2.487 -3.991 1.00 0.00 C ATOM 554 C VAL A 160 -8.045 -3.128 -5.234 1.00 0.00 C ATOM 555 O VAL A 160 -8.001 -4.346 -5.402 1.00 0.00 O ATOM 556 CB VAL A 160 -5.903 -2.614 -4.061 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.353 -1.831 -5.244 1.00 0.00 C ATOM 558 CG2 VAL A 160 -5.269 -2.142 -2.761 1.00 0.00 C ATOM 0 H VAL A 160 -8.005 -4.114 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.706 -1.431 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.651 -3.665 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.268 -1.934 -5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.781 -2.219 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.615 -0.778 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -4.185 -2.239 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.530 -1.098 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.637 -2.750 -1.935 1.00 0.00 H new ATOM 568 N GLY A 161 -8.612 -2.298 -6.103 1.00 0.00 N ATOM 569 CA GLY A 161 -9.221 -2.800 -7.321 1.00 0.00 C ATOM 570 C GLY A 161 -10.327 -3.801 -7.046 1.00 0.00 C ATOM 571 O GLY A 161 -10.530 -4.739 -7.817 1.00 0.00 O ATOM 0 H GLY A 161 -8.661 -1.286 -5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.625 -1.965 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.456 -3.269 -7.940 1.00 0.00 H new ATOM 575 N GLY A 162 -11.043 -3.602 -5.944 1.00 0.00 N ATOM 576 CA GLY A 162 -12.123 -4.503 -5.589 1.00 0.00 C ATOM 577 C GLY A 162 -11.624 -5.867 -5.158 1.00 0.00 C ATOM 578 O GLY A 162 -12.325 -6.867 -5.306 1.00 0.00 O ATOM 0 H GLY A 162 -10.894 -2.833 -5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.709 -4.063 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.791 -4.617 -6.442 1.00 0.00 H new ATOM 582 N ILE A 163 -10.407 -5.908 -4.624 1.00 0.00 N ATOM 583 CA ILE A 163 -9.814 -7.160 -4.171 1.00 0.00 C ATOM 584 C ILE A 163 -8.902 -6.933 -2.970 1.00 0.00 C ATOM 585 O ILE A 163 -8.164 -5.950 -2.917 1.00 0.00 O ATOM 586 CB ILE A 163 -9.005 -7.838 -5.294 1.00 0.00 C ATOM 587 CG1 ILE A 163 -9.826 -7.890 -6.584 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.583 -9.237 -4.872 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.082 -8.506 -7.749 1.00 0.00 C ATOM 0 H ILE A 163 -9.813 -5.089 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.637 -7.813 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.107 -7.249 -5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.737 -8.460 -6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.131 -6.879 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.013 -9.703 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -7.965 -9.176 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.469 -9.836 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -9.724 -8.510 -8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.185 -7.923 -7.957 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -8.800 -9.529 -7.501 1.00 0.00 H new ATOM 601 N MET A 164 -8.957 -7.849 -2.010 1.00 0.00 N ATOM 602 CA MET A 164 -8.135 -7.748 -0.809 1.00 0.00 C ATOM 603 C MET A 164 -6.687 -8.122 -1.108 1.00 0.00 C ATOM 604 O MET A 164 -6.419 -9.101 -1.806 1.00 0.00 O ATOM 605 CB MET A 164 -8.693 -8.652 0.293 1.00 0.00 C ATOM 606 CG MET A 164 -9.582 -7.920 1.287 1.00 0.00 C ATOM 607 SD MET A 164 -11.318 -8.389 1.148 1.00 0.00 S ATOM 608 CE MET A 164 -12.032 -7.442 2.491 1.00 0.00 C ATOM 0 H MET A 164 -9.562 -8.670 -2.039 1.00 0.00 H new ATOM 0 HA MET A 164 -8.160 -6.713 -0.467 1.00 0.00 H new ATOM 0 HB2 MET A 164 -9.263 -9.460 -0.165 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.863 -9.112 0.830 1.00 0.00 H new ATOM 0 HG2 MET A 164 -9.234 -8.126 2.299 1.00 0.00 H new ATOM 0 HG3 MET A 164 -9.487 -6.846 1.130 1.00 0.00 H new ATOM 0 HE1 MET A 164 -13.119 -7.469 2.417 1.00 0.00 H new ATOM 0 HE2 MET A 164 -11.722 -7.871 3.444 1.00 0.00 H new ATOM 0 HE3 MET A 164 -11.690 -6.409 2.430 1.00 0.00 H new ATOM 618 N GLN A 165 -5.756 -7.337 -0.574 1.00 0.00 N ATOM 619 CA GLN A 165 -4.335 -7.587 -0.781 1.00 0.00 C ATOM 620 C GLN A 165 -3.492 -6.758 0.183 1.00 0.00 C ATOM 621 O GLN A 165 -4.012 -5.908 0.905 1.00 0.00 O ATOM 622 CB GLN A 165 -3.944 -7.264 -2.225 1.00 0.00 C ATOM 623 CG GLN A 165 -4.356 -5.869 -2.670 1.00 0.00 C ATOM 624 CD GLN A 165 -4.188 -5.662 -4.162 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.364 -4.861 -4.600 1.00 0.00 O ATOM 626 NE2 GLN A 165 -4.974 -6.384 -4.953 1.00 0.00 N ATOM 0 H GLN A 165 -5.961 -6.523 0.005 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.145 -8.643 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.864 -7.366 -2.332 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.401 -7.998 -2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -5.397 -5.697 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.760 -5.130 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -5.644 -7.037 -4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -4.907 -6.285 -5.966 1.00 0.00 H new ATOM 635 N ARG A 166 -2.188 -7.013 0.192 1.00 0.00 N ATOM 636 CA ARG A 166 -1.273 -6.291 1.069 1.00 0.00 C ATOM 637 C ARG A 166 0.020 -5.943 0.340 1.00 0.00 C ATOM 638 O ARG A 166 0.355 -6.553 -0.675 1.00 0.00 O ATOM 639 CB ARG A 166 -0.962 -7.126 2.313 1.00 0.00 C ATOM 640 CG ARG A 166 -0.407 -8.505 1.998 1.00 0.00 C ATOM 641 CD ARG A 166 0.337 -9.091 3.186 1.00 0.00 C ATOM 642 NE ARG A 166 1.547 -8.335 3.502 1.00 0.00 N ATOM 643 CZ ARG A 166 2.178 -8.400 4.672 1.00 0.00 C ATOM 644 NH1 ARG A 166 1.719 -9.182 5.640 1.00 0.00 N ATOM 645 NH2 ARG A 166 3.273 -7.678 4.876 1.00 0.00 N ATOM 0 H ARG A 166 -1.741 -7.714 -0.398 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.757 -5.363 1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -0.244 -6.587 2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -1.872 -7.236 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -1.222 -9.170 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 166 0.265 -8.441 1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -0.320 -9.103 4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 166 0.602 -10.127 2.973 1.00 0.00 H new ATOM 0 HE ARG A 166 1.931 -7.721 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 166 0.877 -9.738 5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 166 2.208 -9.227 6.534 1.00 0.00 H new ATOM 0 HH21 ARG A 166 3.631 -7.074 4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 166 3.757 -7.728 5.773 1.00 0.00 H new ATOM 659 N PHE A 167 0.743 -4.959 0.865 1.00 0.00 N ATOM 660 CA PHE A 167 2.000 -4.529 0.263 1.00 0.00 C ATOM 661 C PHE A 167 3.115 -5.528 0.560 1.00 0.00 C ATOM 662 O PHE A 167 2.984 -6.376 1.443 1.00 0.00 O ATOM 663 CB PHE A 167 2.391 -3.144 0.782 1.00 0.00 C ATOM 664 CG PHE A 167 3.488 -2.494 -0.011 1.00 0.00 C ATOM 665 CD1 PHE A 167 3.373 -2.339 -1.383 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.637 -2.038 0.616 1.00 0.00 C ATOM 667 CE1 PHE A 167 4.381 -1.742 -2.115 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.648 -1.439 -0.110 1.00 0.00 C ATOM 669 CZ PHE A 167 5.521 -1.290 -1.478 1.00 0.00 C ATOM 0 H PHE A 167 0.480 -4.445 1.706 1.00 0.00 H new ATOM 0 HA PHE A 167 1.858 -4.479 -0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.513 -2.499 0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.707 -3.230 1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 167 2.484 -2.689 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.743 -2.152 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 167 4.278 -1.629 -3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.538 -1.087 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 167 6.310 -0.822 -2.047 1.00 0.00 H new ATOM 679 N CYS A 168 4.209 -5.422 -0.184 1.00 0.00 N ATOM 680 CA CYS A 168 5.348 -6.316 -0.002 1.00 0.00 C ATOM 681 C CYS A 168 6.660 -5.538 -0.038 1.00 0.00 C ATOM 682 O CYS A 168 7.039 -4.989 -1.073 1.00 0.00 O ATOM 683 CB CYS A 168 5.352 -7.398 -1.084 1.00 0.00 C ATOM 684 SG CYS A 168 6.114 -8.955 -0.568 1.00 0.00 S ATOM 0 H CYS A 168 4.333 -4.726 -0.919 1.00 0.00 H new ATOM 0 HA CYS A 168 5.254 -6.790 0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.325 -7.593 -1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 168 5.880 -7.020 -1.959 1.00 0.00 H new ATOM 0 HG CYS A 168 6.679 -9.522 -1.592 1.00 0.00 H new ATOM 690 N GLN A 169 7.349 -5.497 1.097 1.00 0.00 N ATOM 691 CA GLN A 169 8.618 -4.786 1.195 1.00 0.00 C ATOM 692 C GLN A 169 9.667 -5.416 0.283 1.00 0.00 C ATOM 693 O GLN A 169 10.513 -4.721 -0.279 1.00 0.00 O ATOM 694 CB GLN A 169 9.117 -4.786 2.641 1.00 0.00 C ATOM 695 CG GLN A 169 8.233 -3.991 3.588 1.00 0.00 C ATOM 696 CD GLN A 169 8.372 -4.438 5.031 1.00 0.00 C ATOM 697 OE1 GLN A 169 7.431 -4.960 5.625 1.00 0.00 O ATOM 698 NE2 GLN A 169 9.554 -4.232 5.601 1.00 0.00 N ATOM 0 H GLN A 169 7.050 -5.948 1.962 1.00 0.00 H new ATOM 0 HA GLN A 169 8.454 -3.757 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.181 -5.815 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.126 -4.376 2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 169 8.486 -2.933 3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 169 7.193 -4.092 3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 169 10.307 -3.795 5.070 1.00 0.00 H new ATOM 0 HE22 GLN A 169 9.708 -4.511 6.570 1.00 0.00 H new ATOM 707 N GLN A 170 9.604 -6.737 0.142 1.00 0.00 N ATOM 708 CA GLN A 170 10.548 -7.460 -0.702 1.00 0.00 C ATOM 709 C GLN A 170 10.239 -7.235 -2.179 1.00 0.00 C ATOM 710 O GLN A 170 11.012 -6.601 -2.896 1.00 0.00 O ATOM 711 CB GLN A 170 10.508 -8.956 -0.382 1.00 0.00 C ATOM 712 CG GLN A 170 11.598 -9.756 -1.079 1.00 0.00 C ATOM 713 CD GLN A 170 11.239 -11.221 -1.226 1.00 0.00 C ATOM 714 OE1 GLN A 170 11.137 -11.950 -0.238 1.00 0.00 O ATOM 715 NE2 GLN A 170 11.047 -11.662 -2.465 1.00 0.00 N ATOM 0 H GLN A 170 8.910 -7.327 0.601 1.00 0.00 H new ATOM 0 HA GLN A 170 11.548 -7.078 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 170 10.602 -9.091 0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 170 9.535 -9.355 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 170 11.783 -9.330 -2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 170 12.526 -9.668 -0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 170 11.142 -11.023 -3.254 1.00 0.00 H new ATOM 0 HE22 GLN A 170 10.805 -12.640 -2.627 1.00 0.00 H new ATOM 724 N CYS A 171 9.103 -7.759 -2.626 1.00 0.00 N ATOM 725 CA CYS A 171 8.690 -7.616 -4.017 1.00 0.00 C ATOM 726 C CYS A 171 8.489 -6.149 -4.380 1.00 0.00 C ATOM 727 O CYS A 171 8.609 -5.764 -5.543 1.00 0.00 O ATOM 728 CB CYS A 171 7.398 -8.397 -4.270 1.00 0.00 C ATOM 729 SG CYS A 171 7.490 -10.143 -3.815 1.00 0.00 S ATOM 0 H CYS A 171 8.452 -8.287 -2.045 1.00 0.00 H new ATOM 0 HA CYS A 171 9.482 -8.021 -4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.588 -7.929 -3.711 1.00 0.00 H new ATOM 0 HB3 CYS A 171 7.141 -8.321 -5.327 1.00 0.00 H new ATOM 0 HG CYS A 171 6.288 -10.621 -3.684 1.00 0.00 H new ATOM 735 N SER A 172 8.179 -5.330 -3.378 1.00 0.00 N ATOM 736 CA SER A 172 7.960 -3.904 -3.593 1.00 0.00 C ATOM 737 C SER A 172 6.736 -3.670 -4.471 1.00 0.00 C ATOM 738 O SER A 172 6.688 -2.715 -5.247 1.00 0.00 O ATOM 739 CB SER A 172 9.194 -3.265 -4.236 1.00 0.00 C ATOM 740 OG SER A 172 9.077 -1.852 -4.274 1.00 0.00 O ATOM 0 H SER A 172 8.074 -5.631 -2.409 1.00 0.00 H new ATOM 0 HA SER A 172 7.785 -3.439 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 172 10.086 -3.544 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 172 9.321 -3.650 -5.248 1.00 0.00 H new ATOM 0 HG SER A 172 8.198 -1.606 -4.630 1.00 0.00 H new ATOM 746 N ARG A 173 5.746 -4.547 -4.340 1.00 0.00 N ATOM 747 CA ARG A 173 4.518 -4.437 -5.120 1.00 0.00 C ATOM 748 C ARG A 173 3.355 -5.108 -4.397 1.00 0.00 C ATOM 749 O ARG A 173 3.557 -5.981 -3.553 1.00 0.00 O ATOM 750 CB ARG A 173 4.709 -5.068 -6.501 1.00 0.00 C ATOM 751 CG ARG A 173 3.809 -4.471 -7.572 1.00 0.00 C ATOM 752 CD ARG A 173 4.567 -4.222 -8.867 1.00 0.00 C ATOM 753 NE ARG A 173 3.799 -4.636 -10.039 1.00 0.00 N ATOM 754 CZ ARG A 173 3.577 -5.907 -10.369 1.00 0.00 C ATOM 755 NH1 ARG A 173 4.058 -6.889 -9.617 1.00 0.00 N ATOM 756 NH2 ARG A 173 2.869 -6.196 -11.453 1.00 0.00 N ATOM 0 H ARG A 173 5.770 -5.342 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 173 4.285 -3.379 -5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.749 -4.950 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 173 4.517 -6.139 -6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 173 2.974 -5.145 -7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 173 3.386 -3.533 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 173 4.808 -3.162 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 173 5.513 -4.764 -8.843 1.00 0.00 H new ATOM 0 HE ARG A 173 3.410 -3.909 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 173 4.601 -6.672 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 173 3.885 -7.861 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 173 2.495 -5.445 -12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 173 2.699 -7.169 -11.706 1.00 0.00 H new ATOM 770 N PHE A 174 2.138 -4.693 -4.732 1.00 0.00 N ATOM 771 CA PHE A 174 0.942 -5.254 -4.114 1.00 0.00 C ATOM 772 C PHE A 174 0.719 -6.693 -4.566 1.00 0.00 C ATOM 773 O PHE A 174 0.894 -7.020 -5.741 1.00 0.00 O ATOM 774 CB PHE A 174 -0.282 -4.402 -4.456 1.00 0.00 C ATOM 775 CG PHE A 174 -0.641 -3.412 -3.384 1.00 0.00 C ATOM 776 CD1 PHE A 174 -0.783 -3.819 -2.068 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.838 -2.076 -3.693 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.114 -2.912 -1.079 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.169 -1.164 -2.710 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.307 -1.582 -1.401 1.00 0.00 C ATOM 0 H PHE A 174 1.954 -3.970 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 174 1.086 -5.251 -3.034 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.093 -3.866 -5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.134 -5.058 -4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.633 -4.857 -1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.731 -1.744 -4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.222 -3.242 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.320 -0.125 -2.965 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.565 -0.871 -0.630 1.00 0.00 H new ATOM 790 N HIS A 175 0.331 -7.549 -3.626 1.00 0.00 N ATOM 791 CA HIS A 175 0.083 -8.955 -3.926 1.00 0.00 C ATOM 792 C HIS A 175 -1.195 -9.438 -3.245 1.00 0.00 C ATOM 793 O HIS A 175 -1.475 -9.074 -2.104 1.00 0.00 O ATOM 794 CB HIS A 175 1.269 -9.810 -3.481 1.00 0.00 C ATOM 795 CG HIS A 175 2.489 -9.631 -4.329 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.455 -9.637 -5.708 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.786 -9.437 -3.988 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.677 -9.457 -6.177 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.502 -9.332 -5.154 1.00 0.00 N ATOM 0 H HIS A 175 0.181 -7.294 -2.650 1.00 0.00 H new ATOM 0 HA HIS A 175 -0.041 -9.056 -5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.516 -9.565 -2.448 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.976 -10.860 -3.498 1.00 0.00 H new ATOM 0 HD1 HIS A 175 1.617 -9.761 -6.277 1.00 0.00 H new ATOM 0 HD2 HIS A 175 4.182 -9.376 -2.985 1.00 0.00 H new ATOM 0 HE1 HIS A 175 3.954 -9.419 -7.220 1.00 0.00 H new ATOM 807 N VAL A 176 -1.964 -10.260 -3.954 1.00 0.00 N ATOM 808 CA VAL A 176 -3.211 -10.793 -3.418 1.00 0.00 C ATOM 809 C VAL A 176 -2.987 -11.494 -2.084 1.00 0.00 C ATOM 810 O VAL A 176 -1.872 -11.908 -1.768 1.00 0.00 O ATOM 811 CB VAL A 176 -3.866 -11.783 -4.400 1.00 0.00 C ATOM 812 CG1 VAL A 176 -4.402 -11.050 -5.622 1.00 0.00 C ATOM 813 CG2 VAL A 176 -2.876 -12.863 -4.808 1.00 0.00 C ATOM 0 H VAL A 176 -1.745 -10.571 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.877 -9.943 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.706 -12.263 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -4.861 -11.766 -6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.147 -10.318 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -3.583 -10.540 -6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.356 -13.553 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -2.014 -12.403 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.547 -13.408 -3.923 1.00 0.00 H new ATOM 823 N LEU A 177 -4.056 -11.624 -1.304 1.00 0.00 N ATOM 824 CA LEU A 177 -3.979 -12.276 -0.001 1.00 0.00 C ATOM 825 C LEU A 177 -3.741 -13.776 -0.154 1.00 0.00 C ATOM 826 O LEU A 177 -3.173 -14.417 0.731 1.00 0.00 O ATOM 827 CB LEU A 177 -5.263 -12.026 0.793 1.00 0.00 C ATOM 828 CG LEU A 177 -5.055 -11.455 2.196 1.00 0.00 C ATOM 829 CD1 LEU A 177 -4.639 -9.994 2.122 1.00 0.00 C ATOM 830 CD2 LEU A 177 -6.321 -11.609 3.026 1.00 0.00 C ATOM 0 H LEU A 177 -4.986 -11.286 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 177 -3.136 -11.849 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.894 -11.340 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -5.809 -12.966 0.877 1.00 0.00 H new ATOM 0 HG LEU A 177 -4.255 -12.015 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -4.496 -9.605 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -3.706 -9.909 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -5.416 -9.419 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -6.156 -11.197 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -7.139 -11.074 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -6.576 -12.666 3.108 1.00 0.00 H new ATOM 842 N GLU A 178 -4.178 -14.332 -1.281 1.00 0.00 N ATOM 843 CA GLU A 178 -4.013 -15.757 -1.548 1.00 0.00 C ATOM 844 C GLU A 178 -2.547 -16.168 -1.439 1.00 0.00 C ATOM 845 O GLU A 178 -2.237 -17.304 -1.082 1.00 0.00 O ATOM 846 CB GLU A 178 -4.548 -16.101 -2.939 1.00 0.00 C ATOM 847 CG GLU A 178 -5.901 -15.478 -3.242 1.00 0.00 C ATOM 848 CD GLU A 178 -6.888 -16.476 -3.818 1.00 0.00 C ATOM 849 OE1 GLU A 178 -7.102 -17.531 -3.187 1.00 0.00 O ATOM 850 OE2 GLU A 178 -7.447 -16.200 -4.901 1.00 0.00 O ATOM 0 H GLU A 178 -4.649 -13.816 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 178 -4.582 -16.308 -0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -3.829 -15.769 -3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -4.627 -17.184 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -6.313 -15.052 -2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -5.769 -14.656 -3.946 1.00 0.00 H new ATOM 857 N GLU A 179 -1.651 -15.237 -1.749 1.00 0.00 N ATOM 858 CA GLU A 179 -0.219 -15.505 -1.687 1.00 0.00 C ATOM 859 C GLU A 179 0.252 -15.607 -0.239 1.00 0.00 C ATOM 860 O GLU A 179 0.865 -16.598 0.155 1.00 0.00 O ATOM 861 CB GLU A 179 0.559 -14.404 -2.410 1.00 0.00 C ATOM 862 CG GLU A 179 1.863 -14.885 -3.024 1.00 0.00 C ATOM 863 CD GLU A 179 2.723 -13.744 -3.535 1.00 0.00 C ATOM 864 OE1 GLU A 179 3.254 -12.982 -2.702 1.00 0.00 O ATOM 865 OE2 GLU A 179 2.863 -13.613 -4.770 1.00 0.00 O ATOM 0 H GLU A 179 -1.891 -14.291 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.031 -16.458 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -0.069 -13.982 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 179 0.773 -13.600 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 179 2.423 -15.452 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 179 1.644 -15.566 -3.846 1.00 0.00 H new ATOM 872 N PHE A 180 -0.038 -14.576 0.547 1.00 0.00 N ATOM 873 CA PHE A 180 0.357 -14.550 1.951 1.00 0.00 C ATOM 874 C PHE A 180 -0.582 -15.404 2.796 1.00 0.00 C ATOM 875 O PHE A 180 -1.758 -15.080 2.956 1.00 0.00 O ATOM 876 CB PHE A 180 0.366 -13.113 2.475 1.00 0.00 C ATOM 877 CG PHE A 180 1.024 -12.136 1.541 1.00 0.00 C ATOM 878 CD1 PHE A 180 2.391 -11.915 1.598 1.00 0.00 C ATOM 879 CD2 PHE A 180 0.275 -11.440 0.605 1.00 0.00 C ATOM 880 CE1 PHE A 180 2.998 -11.018 0.741 1.00 0.00 C ATOM 881 CE2 PHE A 180 0.877 -10.542 -0.255 1.00 0.00 C ATOM 882 CZ PHE A 180 2.241 -10.331 -0.188 1.00 0.00 C ATOM 0 H PHE A 180 -0.545 -13.747 0.236 1.00 0.00 H new ATOM 0 HA PHE A 180 1.363 -14.963 2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -0.661 -12.795 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 180 0.881 -13.088 3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 180 2.989 -12.450 2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -0.791 -11.602 0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 180 4.064 -10.854 0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 180 0.282 -10.005 -0.979 1.00 0.00 H new ATOM 0 HZ PHE A 180 2.714 -9.631 -0.860 1.00 0.00 H new ATOM 892 N ASP A 181 -0.053 -16.499 3.335 1.00 0.00 N ATOM 893 CA ASP A 181 -0.844 -17.401 4.165 1.00 0.00 C ATOM 894 C ASP A 181 -0.282 -17.468 5.582 1.00 0.00 C ATOM 895 O ASP A 181 0.954 -17.574 5.723 1.00 0.00 O ATOM 896 CB ASP A 181 -0.874 -18.801 3.549 1.00 0.00 C ATOM 897 CG ASP A 181 -1.852 -18.902 2.394 1.00 0.00 C ATOM 898 OD1 ASP A 181 -3.075 -18.846 2.644 1.00 0.00 O ATOM 899 OD2 ASP A 181 -1.395 -19.037 1.240 1.00 0.00 O ATOM 900 OXT ASP A 181 -1.085 -17.416 6.539 1.00 0.00 O ATOM 0 H ASP A 181 0.919 -16.782 3.212 1.00 0.00 H new ATOM 0 HA ASP A 181 -1.861 -17.012 4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 181 0.125 -19.063 3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 181 -1.145 -19.527 4.316 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.342 3.466 2.296 1.00 0.00 ZN