USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 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 171 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 175 HIS : no HD1:sc= -0.6 X(o=-0.6,f=-0.69) USER MOD Set 2.1: A 142 TYR OH : rot 86:sc= 1.29 USER MOD Set 2.2: A 169 GLN :FLIP amide:sc= 0.924 F(o=-0.77,f=2.2) USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.41) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 HIS : no HE2:sc= -0.789 K(o=-0.79,f=-1.7) USER MOD Single : A 146 HIS : no HE2:sc= -0.152 K(o=-0.15,f=-1.4) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot -57:sc= 1.08 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 164 MET CE :methyl -165:sc= 0 (180deg=-0.291) USER MOD Single : A 165 GLN : amide:sc= -2.49 K(o=-2.5,f=-5.6!) USER MOD Single : A 168 CYS SG : rot 97:sc= -0.837 USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.727 14.027 -6.667 1.00 0.00 N ATOM 2 CA ALA A 124 1.538 13.801 -5.803 1.00 0.00 C ATOM 3 C ALA A 124 0.793 12.536 -6.219 1.00 0.00 C ATOM 4 O ALA A 124 0.136 12.504 -7.258 1.00 0.00 O ATOM 5 CB ALA A 124 0.609 15.003 -5.860 1.00 0.00 C ATOM 0 HA ALA A 124 1.883 13.670 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.257 14.824 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.139 15.889 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 124 0.278 15.159 -6.887 1.00 0.00 H new ATOM 11 N ILE A 125 0.902 11.496 -5.399 1.00 0.00 N ATOM 12 CA ILE A 125 0.239 10.228 -5.680 1.00 0.00 C ATOM 13 C ILE A 125 -0.639 9.794 -4.510 1.00 0.00 C ATOM 14 O ILE A 125 -0.233 9.886 -3.351 1.00 0.00 O ATOM 15 CB ILE A 125 1.259 9.114 -5.982 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.284 9.594 -7.010 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.548 7.863 -6.479 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.479 8.676 -7.150 1.00 0.00 C ATOM 0 H ILE A 125 1.443 11.506 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.385 10.387 -6.560 1.00 0.00 H new ATOM 0 HB ILE A 125 1.786 8.867 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.795 9.691 -7.980 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.631 10.588 -6.727 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.283 7.086 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.146 7.511 -5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.003 8.095 -7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.163 9.080 -7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.992 8.598 -6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.144 7.687 -7.463 1.00 0.00 H new ATOM 30 N CYS A 126 -1.840 9.322 -4.821 1.00 0.00 N ATOM 31 CA CYS A 126 -2.776 8.875 -3.795 1.00 0.00 C ATOM 32 C CYS A 126 -2.659 7.370 -3.571 1.00 0.00 C ATOM 33 O CYS A 126 -2.321 6.621 -4.487 1.00 0.00 O ATOM 34 CB CYS A 126 -4.209 9.234 -4.190 1.00 0.00 C ATOM 35 SG CYS A 126 -4.436 10.970 -4.643 1.00 0.00 S ATOM 0 H CYS A 126 -2.190 9.239 -5.776 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.526 9.384 -2.864 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.511 8.608 -5.030 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.874 8.996 -3.360 1.00 0.00 H new ATOM 0 HG CYS A 126 -5.679 11.176 -4.964 1.00 0.00 H new ATOM 41 N CYS A 127 -2.943 6.936 -2.347 1.00 0.00 N ATOM 42 CA CYS A 127 -2.871 5.522 -2.002 1.00 0.00 C ATOM 43 C CYS A 127 -3.811 4.700 -2.878 1.00 0.00 C ATOM 44 O CYS A 127 -4.998 5.007 -2.990 1.00 0.00 O ATOM 45 CB CYS A 127 -3.221 5.321 -0.526 1.00 0.00 C ATOM 46 SG CYS A 127 -2.705 3.723 0.145 1.00 0.00 S ATOM 0 H CYS A 127 -3.225 7.544 -1.578 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.851 5.180 -2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.756 6.115 0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.299 5.424 -0.402 1.00 0.00 H new ATOM 51 N GLN A 128 -3.272 3.656 -3.502 1.00 0.00 N ATOM 52 CA GLN A 128 -4.066 2.792 -4.372 1.00 0.00 C ATOM 53 C GLN A 128 -5.250 2.198 -3.617 1.00 0.00 C ATOM 54 O GLN A 128 -6.315 1.971 -4.192 1.00 0.00 O ATOM 55 CB GLN A 128 -3.199 1.668 -4.942 1.00 0.00 C ATOM 56 CG GLN A 128 -2.024 2.165 -5.767 1.00 0.00 C ATOM 57 CD GLN A 128 -1.756 1.295 -6.979 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.419 1.421 -8.008 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.777 0.404 -6.863 1.00 0.00 N ATOM 0 H GLN A 128 -2.291 3.388 -3.422 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.447 3.401 -5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -2.823 1.058 -4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -3.819 1.021 -5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.220 3.186 -6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -1.132 2.195 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -0.252 0.333 -5.991 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -0.550 -0.209 -7.646 1.00 0.00 H new ATOM 68 N VAL A 129 -5.056 1.948 -2.326 1.00 0.00 N ATOM 69 CA VAL A 129 -6.107 1.380 -1.490 1.00 0.00 C ATOM 70 C VAL A 129 -7.375 2.228 -1.552 1.00 0.00 C ATOM 71 O VAL A 129 -7.386 3.381 -1.121 1.00 0.00 O ATOM 72 CB VAL A 129 -5.647 1.255 -0.025 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.709 0.570 0.819 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.327 0.499 0.053 1.00 0.00 C ATOM 0 H VAL A 129 -4.180 2.130 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.324 0.385 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.495 2.258 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.361 0.493 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.629 1.153 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.899 -0.428 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -4.015 0.419 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.454 -0.499 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.566 1.036 -0.514 1.00 0.00 H new ATOM 84 N ASP A 130 -8.441 1.647 -2.098 1.00 0.00 N ATOM 85 CA ASP A 130 -9.720 2.343 -2.229 1.00 0.00 C ATOM 86 C ASP A 130 -10.105 3.050 -0.932 1.00 0.00 C ATOM 87 O ASP A 130 -10.131 4.278 -0.869 1.00 0.00 O ATOM 88 CB ASP A 130 -10.819 1.357 -2.630 1.00 0.00 C ATOM 89 CG ASP A 130 -10.824 1.069 -4.117 1.00 0.00 C ATOM 90 OD1 ASP A 130 -10.648 2.020 -4.908 1.00 0.00 O ATOM 91 OD2 ASP A 130 -11.002 -0.110 -4.494 1.00 0.00 O ATOM 0 H ASP A 130 -8.445 0.693 -2.458 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.610 3.098 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.683 0.424 -2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.789 1.760 -2.338 1.00 0.00 H new ATOM 96 N ASN A 131 -10.404 2.265 0.097 1.00 0.00 N ATOM 97 CA ASN A 131 -10.790 2.816 1.391 1.00 0.00 C ATOM 98 C ASN A 131 -9.596 3.480 2.077 1.00 0.00 C ATOM 99 O ASN A 131 -9.131 3.021 3.120 1.00 0.00 O ATOM 100 CB ASN A 131 -11.370 1.715 2.282 1.00 0.00 C ATOM 101 CG ASN A 131 -12.686 2.120 2.917 1.00 0.00 C ATOM 102 OD1 ASN A 131 -12.711 2.790 3.951 1.00 0.00 O ATOM 103 ND2 ASN A 131 -13.791 1.715 2.300 1.00 0.00 N ATOM 0 H ASN A 131 -10.387 1.246 0.061 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.554 3.576 1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.518 0.812 1.690 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -10.652 1.469 3.065 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -14.706 1.957 2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.724 1.162 1.446 1.00 0.00 H new ATOM 110 N CYS A 132 -9.102 4.560 1.480 1.00 0.00 N ATOM 111 CA CYS A 132 -7.962 5.283 2.031 1.00 0.00 C ATOM 112 C CYS A 132 -7.786 6.633 1.345 1.00 0.00 C ATOM 113 O CYS A 132 -7.437 6.703 0.167 1.00 0.00 O ATOM 114 CB CYS A 132 -6.686 4.454 1.879 1.00 0.00 C ATOM 115 SG CYS A 132 -5.319 5.001 2.929 1.00 0.00 S ATOM 0 H CYS A 132 -9.473 4.953 0.615 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.154 5.457 3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -6.913 3.413 2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.366 4.488 0.838 1.00 0.00 H new ATOM 120 N GLY A 133 -8.025 7.706 2.092 1.00 0.00 N ATOM 121 CA GLY A 133 -7.884 9.041 1.542 1.00 0.00 C ATOM 122 C GLY A 133 -6.578 9.694 1.948 1.00 0.00 C ATOM 123 O GLY A 133 -6.556 10.863 2.332 1.00 0.00 O ATOM 0 H GLY A 133 -8.314 7.674 3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.941 8.992 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.717 9.660 1.877 1.00 0.00 H new ATOM 127 N ALA A 134 -5.490 8.937 1.866 1.00 0.00 N ATOM 128 CA ALA A 134 -4.174 9.446 2.232 1.00 0.00 C ATOM 129 C ALA A 134 -3.492 10.118 1.043 1.00 0.00 C ATOM 130 O ALA A 134 -3.867 9.894 -0.107 1.00 0.00 O ATOM 131 CB ALA A 134 -3.304 8.322 2.774 1.00 0.00 C ATOM 0 H ALA A 134 -5.493 7.968 1.549 1.00 0.00 H new ATOM 0 HA ALA A 134 -4.308 10.196 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.325 8.717 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.776 7.890 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.187 7.552 2.011 1.00 0.00 H new ATOM 137 N ASP A 135 -2.489 10.941 1.333 1.00 0.00 N ATOM 138 CA ASP A 135 -1.753 11.645 0.290 1.00 0.00 C ATOM 139 C ASP A 135 -0.258 11.359 0.395 1.00 0.00 C ATOM 140 O ASP A 135 0.329 11.464 1.473 1.00 0.00 O ATOM 141 CB ASP A 135 -2.004 13.150 0.387 1.00 0.00 C ATOM 142 CG ASP A 135 -2.111 13.808 -0.974 1.00 0.00 C ATOM 143 OD1 ASP A 135 -2.699 13.191 -1.887 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.606 14.940 -1.128 1.00 0.00 O ATOM 0 H ASP A 135 -2.168 11.136 2.281 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.107 11.287 -0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.923 13.327 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.194 13.615 0.949 1.00 0.00 H new ATOM 149 N LEU A 136 0.350 10.997 -0.728 1.00 0.00 N ATOM 150 CA LEU A 136 1.776 10.696 -0.763 1.00 0.00 C ATOM 151 C LEU A 136 2.576 11.902 -1.245 1.00 0.00 C ATOM 152 O LEU A 136 3.551 11.758 -1.982 1.00 0.00 O ATOM 153 CB LEU A 136 2.041 9.495 -1.673 1.00 0.00 C ATOM 154 CG LEU A 136 1.142 8.283 -1.423 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.423 7.191 -2.444 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.341 7.756 -0.009 1.00 0.00 C ATOM 0 H LEU A 136 -0.122 10.905 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 136 2.096 10.454 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.920 9.810 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.080 9.189 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 136 0.103 8.595 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.774 6.337 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.231 7.573 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.465 6.880 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.694 6.894 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.381 7.459 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.091 8.537 0.709 1.00 0.00 H new ATOM 168 N SER A 137 2.158 13.090 -0.821 1.00 0.00 N ATOM 169 CA SER A 137 2.836 14.323 -1.207 1.00 0.00 C ATOM 170 C SER A 137 3.795 14.780 -0.115 1.00 0.00 C ATOM 171 O SER A 137 4.824 15.395 -0.395 1.00 0.00 O ATOM 172 CB SER A 137 1.813 15.422 -1.498 1.00 0.00 C ATOM 173 OG SER A 137 2.378 16.445 -2.299 1.00 0.00 O ATOM 0 H SER A 137 1.353 13.225 -0.210 1.00 0.00 H new ATOM 0 HA SER A 137 3.412 14.125 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.949 14.994 -2.006 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.454 15.846 -0.560 1.00 0.00 H new ATOM 0 HG SER A 137 1.704 17.135 -2.472 1.00 0.00 H new ATOM 179 N LYS A 138 3.452 14.476 1.134 1.00 0.00 N ATOM 180 CA LYS A 138 4.284 14.857 2.269 1.00 0.00 C ATOM 181 C LYS A 138 5.419 13.858 2.471 1.00 0.00 C ATOM 182 O LYS A 138 6.500 14.219 2.935 1.00 0.00 O ATOM 183 CB LYS A 138 3.436 14.948 3.541 1.00 0.00 C ATOM 184 CG LYS A 138 3.805 16.123 4.434 1.00 0.00 C ATOM 185 CD LYS A 138 4.072 15.677 5.865 1.00 0.00 C ATOM 186 CE LYS A 138 5.561 15.620 6.162 1.00 0.00 C ATOM 187 NZ LYS A 138 5.848 14.897 7.431 1.00 0.00 N ATOM 0 H LYS A 138 2.604 13.967 1.384 1.00 0.00 H new ATOM 0 HA LYS A 138 4.718 15.834 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.385 15.030 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.545 14.023 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.690 16.619 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 138 2.998 16.855 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.588 16.365 6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 138 3.629 14.695 6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.077 15.126 5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.958 16.633 6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.875 14.881 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.377 15.382 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.493 13.922 7.363 1.00 0.00 H new ATOM 201 N VAL A 139 5.166 12.602 2.119 1.00 0.00 N ATOM 202 CA VAL A 139 6.166 11.551 2.263 1.00 0.00 C ATOM 203 C VAL A 139 7.422 11.874 1.462 1.00 0.00 C ATOM 204 O VAL A 139 7.476 12.879 0.751 1.00 0.00 O ATOM 205 CB VAL A 139 5.617 10.187 1.804 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.519 9.709 2.743 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.106 10.270 0.373 1.00 0.00 C ATOM 0 H VAL A 139 4.276 12.287 1.732 1.00 0.00 H new ATOM 0 HA VAL A 139 6.417 11.497 3.322 1.00 0.00 H new ATOM 0 HB VAL A 139 6.430 9.461 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.144 8.744 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.921 9.607 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.705 10.433 2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.722 9.297 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.308 11.010 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 139 5.922 10.563 -0.288 1.00 0.00 H new ATOM 217 N LYS A 140 8.432 11.017 1.580 1.00 0.00 N ATOM 218 CA LYS A 140 9.688 11.213 0.867 1.00 0.00 C ATOM 219 C LYS A 140 9.807 10.241 -0.302 1.00 0.00 C ATOM 220 O LYS A 140 9.581 10.609 -1.455 1.00 0.00 O ATOM 221 CB LYS A 140 10.872 11.036 1.820 1.00 0.00 C ATOM 222 CG LYS A 140 11.323 12.331 2.476 1.00 0.00 C ATOM 223 CD LYS A 140 12.790 12.620 2.196 1.00 0.00 C ATOM 224 CE LYS A 140 13.038 12.864 0.715 1.00 0.00 C ATOM 225 NZ LYS A 140 13.198 14.311 0.408 1.00 0.00 N ATOM 0 H LYS A 140 8.404 10.180 2.163 1.00 0.00 H new ATOM 0 HA LYS A 140 9.699 12.229 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.599 10.321 2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.709 10.606 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.713 13.157 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.163 12.269 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 140 13.105 13.493 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 140 13.398 11.781 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 140 13.934 12.326 0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 140 12.207 12.460 0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 13.365 14.433 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 12.334 14.821 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 14.007 14.691 0.939 1.00 0.00 H new ATOM 239 N ASP A 141 10.164 9.000 0.003 1.00 0.00 N ATOM 240 CA ASP A 141 10.315 7.971 -1.019 1.00 0.00 C ATOM 241 C ASP A 141 9.718 6.647 -0.551 1.00 0.00 C ATOM 242 O ASP A 141 9.174 6.554 0.548 1.00 0.00 O ATOM 243 CB ASP A 141 11.791 7.783 -1.370 1.00 0.00 C ATOM 244 CG ASP A 141 12.660 7.611 -0.139 1.00 0.00 C ATOM 245 OD1 ASP A 141 13.036 8.634 0.470 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.965 6.453 0.214 1.00 0.00 O ATOM 0 H ASP A 141 10.355 8.681 0.953 1.00 0.00 H new ATOM 0 HA ASP A 141 9.777 8.297 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.900 6.910 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 141 12.139 8.645 -1.940 1.00 0.00 H new ATOM 251 N TYR A 142 9.827 5.625 -1.395 1.00 0.00 N ATOM 252 CA TYR A 142 9.300 4.300 -1.074 1.00 0.00 C ATOM 253 C TYR A 142 7.775 4.311 -1.054 1.00 0.00 C ATOM 254 O TYR A 142 7.128 3.681 -1.891 1.00 0.00 O ATOM 255 CB TYR A 142 9.837 3.822 0.278 1.00 0.00 C ATOM 256 CG TYR A 142 9.786 2.322 0.453 1.00 0.00 C ATOM 257 CD1 TYR A 142 10.832 1.516 0.022 1.00 0.00 C ATOM 258 CD2 TYR A 142 8.690 1.711 1.050 1.00 0.00 C ATOM 259 CE1 TYR A 142 10.789 0.145 0.179 1.00 0.00 C ATOM 260 CE2 TYR A 142 8.639 0.339 1.212 1.00 0.00 C ATOM 261 CZ TYR A 142 9.691 -0.439 0.775 1.00 0.00 C ATOM 262 OH TYR A 142 9.643 -1.804 0.935 1.00 0.00 O ATOM 0 H TYR A 142 10.276 5.688 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 142 9.631 3.610 -1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 142 10.868 4.158 0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.261 4.292 1.075 1.00 0.00 H new ATOM 0 HD1 TYR A 142 11.694 1.970 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 142 7.865 2.318 1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 142 11.611 -0.467 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 142 7.780 -0.121 1.678 1.00 0.00 H new ATOM 0 HH TYR A 142 10.090 -2.051 1.772 1.00 0.00 H new ATOM 272 N HIS A 143 7.205 5.029 -0.092 1.00 0.00 N ATOM 273 CA HIS A 143 5.755 5.120 0.037 1.00 0.00 C ATOM 274 C HIS A 143 5.202 6.251 -0.827 1.00 0.00 C ATOM 275 O HIS A 143 4.511 7.143 -0.335 1.00 0.00 O ATOM 276 CB HIS A 143 5.365 5.338 1.501 1.00 0.00 C ATOM 277 CG HIS A 143 5.814 4.236 2.409 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.575 4.455 3.538 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.605 2.899 2.352 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.817 3.300 4.134 1.00 0.00 C ATOM 281 NE2 HIS A 143 6.238 2.343 3.436 1.00 0.00 N ATOM 0 H HIS A 143 7.725 5.556 0.610 1.00 0.00 H new ATOM 0 HA HIS A 143 5.323 4.181 -0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.792 6.279 1.846 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.282 5.436 1.569 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.900 5.366 3.862 1.00 0.00 H new ATOM 0 HD2 HIS A 143 5.045 2.369 1.595 1.00 0.00 H new ATOM 0 HE1 HIS A 143 7.391 3.164 5.039 1.00 0.00 H new ATOM 289 N ARG A 144 5.512 6.206 -2.118 1.00 0.00 N ATOM 290 CA ARG A 144 5.047 7.224 -3.053 1.00 0.00 C ATOM 291 C ARG A 144 5.023 6.681 -4.477 1.00 0.00 C ATOM 292 O ARG A 144 3.962 6.561 -5.089 1.00 0.00 O ATOM 293 CB ARG A 144 5.945 8.461 -2.981 1.00 0.00 C ATOM 294 CG ARG A 144 5.244 9.746 -3.390 1.00 0.00 C ATOM 295 CD ARG A 144 5.846 10.332 -4.658 1.00 0.00 C ATOM 296 NE ARG A 144 6.830 11.372 -4.365 1.00 0.00 N ATOM 297 CZ ARG A 144 7.746 11.792 -5.236 1.00 0.00 C ATOM 298 NH1 ARG A 144 7.807 11.264 -6.451 1.00 0.00 N ATOM 299 NH2 ARG A 144 8.603 12.741 -4.888 1.00 0.00 N ATOM 0 H ARG A 144 6.084 5.475 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 144 4.032 7.505 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.319 8.569 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.811 8.309 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 144 4.184 9.549 -3.547 1.00 0.00 H new ATOM 0 HG3 ARG A 144 5.316 10.474 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 144 6.319 9.538 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 144 5.052 10.748 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 144 6.814 11.801 -3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 144 7.150 10.532 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 144 8.511 11.590 -7.114 1.00 0.00 H new ATOM 0 HH21 ARG A 144 8.561 13.149 -3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 144 9.305 13.063 -5.554 1.00 0.00 H new ATOM 313 N ARG A 145 6.201 6.352 -5.000 1.00 0.00 N ATOM 314 CA ARG A 145 6.313 5.819 -6.353 1.00 0.00 C ATOM 315 C ARG A 145 5.561 4.498 -6.479 1.00 0.00 C ATOM 316 O ARG A 145 5.034 4.170 -7.542 1.00 0.00 O ATOM 317 CB ARG A 145 7.784 5.620 -6.724 1.00 0.00 C ATOM 318 CG ARG A 145 8.409 6.830 -7.403 1.00 0.00 C ATOM 319 CD ARG A 145 8.536 6.625 -8.904 1.00 0.00 C ATOM 320 NE ARG A 145 9.599 7.443 -9.481 1.00 0.00 N ATOM 321 CZ ARG A 145 9.471 8.738 -9.759 1.00 0.00 C ATOM 322 NH1 ARG A 145 8.327 9.366 -9.515 1.00 0.00 N ATOM 323 NH2 ARG A 145 10.489 9.408 -10.282 1.00 0.00 N ATOM 0 H ARG A 145 7.090 6.445 -4.508 1.00 0.00 H new ATOM 0 HA ARG A 145 5.867 6.538 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.350 5.387 -5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 145 7.870 4.758 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 145 7.801 7.713 -7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 145 9.394 7.019 -6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 145 8.735 5.573 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 145 7.589 6.870 -9.385 1.00 0.00 H new ATOM 0 HE ARG A 145 10.493 6.995 -9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 145 7.541 8.856 -9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 145 8.234 10.359 -9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 145 11.370 8.931 -10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 145 10.391 10.401 -10.495 1.00 0.00 H new ATOM 337 N HIS A 146 5.516 3.744 -5.385 1.00 0.00 N ATOM 338 CA HIS A 146 4.828 2.457 -5.371 1.00 0.00 C ATOM 339 C HIS A 146 3.323 2.635 -5.172 1.00 0.00 C ATOM 340 O HIS A 146 2.550 1.695 -5.357 1.00 0.00 O ATOM 341 CB HIS A 146 5.396 1.566 -4.264 1.00 0.00 C ATOM 342 CG HIS A 146 6.856 1.277 -4.424 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.835 2.237 -4.268 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.505 0.126 -4.724 1.00 0.00 C ATOM 345 CE1 HIS A 146 9.022 1.689 -4.469 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.848 0.411 -4.746 1.00 0.00 N ATOM 0 H HIS A 146 5.947 4.001 -4.497 1.00 0.00 H new ATOM 0 HA HIS A 146 4.991 1.980 -6.338 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.232 2.048 -3.300 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.847 0.625 -4.248 1.00 0.00 H new ATOM 0 HD1 HIS A 146 7.669 3.216 -4.034 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.051 -0.836 -4.911 1.00 0.00 H new ATOM 0 HE1 HIS A 146 9.972 2.201 -4.415 1.00 0.00 H new ATOM 354 N LYS A 147 2.911 3.845 -4.796 1.00 0.00 N ATOM 355 CA LYS A 147 1.497 4.141 -4.575 1.00 0.00 C ATOM 356 C LYS A 147 0.967 3.386 -3.360 1.00 0.00 C ATOM 357 O LYS A 147 0.314 2.352 -3.495 1.00 0.00 O ATOM 358 CB LYS A 147 0.676 3.779 -5.815 1.00 0.00 C ATOM 359 CG LYS A 147 1.256 4.326 -7.110 1.00 0.00 C ATOM 360 CD LYS A 147 0.300 4.132 -8.276 1.00 0.00 C ATOM 361 CE LYS A 147 1.043 3.761 -9.549 1.00 0.00 C ATOM 362 NZ LYS A 147 0.450 4.417 -10.748 1.00 0.00 N ATOM 0 H LYS A 147 3.536 4.635 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 147 1.401 5.210 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.604 2.694 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.339 4.158 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 147 1.476 5.387 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 147 2.201 3.827 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 147 -0.419 3.350 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 147 -0.268 5.048 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 147 2.090 4.051 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 147 1.023 2.679 -9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 0.984 4.139 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 -0.542 4.121 -10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 0.493 5.450 -10.635 1.00 0.00 H new ATOM 376 N VAL A 148 1.253 3.915 -2.173 1.00 0.00 N ATOM 377 CA VAL A 148 0.807 3.295 -0.931 1.00 0.00 C ATOM 378 C VAL A 148 1.289 4.091 0.278 1.00 0.00 C ATOM 379 O VAL A 148 2.343 4.725 0.234 1.00 0.00 O ATOM 380 CB VAL A 148 1.310 1.841 -0.813 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.829 1.798 -0.801 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.739 1.178 0.432 1.00 0.00 C ATOM 0 H VAL A 148 1.792 4.772 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.283 3.290 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 148 0.963 1.285 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.163 0.764 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.213 2.229 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.202 2.370 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 148 1.105 0.153 0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.052 1.733 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.349 1.172 0.374 1.00 0.00 H new ATOM 392 N CYS A 149 0.514 4.056 1.357 1.00 0.00 N ATOM 393 CA CYS A 149 0.870 4.775 2.573 1.00 0.00 C ATOM 394 C CYS A 149 1.562 3.847 3.569 1.00 0.00 C ATOM 395 O CYS A 149 1.598 2.631 3.378 1.00 0.00 O ATOM 396 CB CYS A 149 -0.373 5.408 3.205 1.00 0.00 C ATOM 397 SG CYS A 149 -1.509 4.227 3.972 1.00 0.00 S ATOM 0 H CYS A 149 -0.363 3.538 1.413 1.00 0.00 H new ATOM 0 HA CYS A 149 1.567 5.570 2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.055 6.129 3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -0.911 5.965 2.438 1.00 0.00 H new ATOM 402 N GLU A 150 2.116 4.432 4.621 1.00 0.00 N ATOM 403 CA GLU A 150 2.820 3.667 5.647 1.00 0.00 C ATOM 404 C GLU A 150 1.901 2.656 6.329 1.00 0.00 C ATOM 405 O GLU A 150 2.365 1.652 6.868 1.00 0.00 O ATOM 406 CB GLU A 150 3.417 4.614 6.691 1.00 0.00 C ATOM 407 CG GLU A 150 4.813 5.101 6.342 1.00 0.00 C ATOM 408 CD GLU A 150 5.116 6.466 6.927 1.00 0.00 C ATOM 409 OE1 GLU A 150 4.262 7.368 6.805 1.00 0.00 O ATOM 410 OE2 GLU A 150 6.210 6.635 7.506 1.00 0.00 O ATOM 0 H GLU A 150 2.093 5.438 4.789 1.00 0.00 H new ATOM 0 HA GLU A 150 3.620 3.113 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.759 5.475 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.449 4.106 7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 150 5.547 4.382 6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.919 5.142 5.258 1.00 0.00 H new ATOM 417 N ILE A 151 0.600 2.928 6.313 1.00 0.00 N ATOM 418 CA ILE A 151 -0.369 2.035 6.941 1.00 0.00 C ATOM 419 C ILE A 151 -0.482 0.714 6.186 1.00 0.00 C ATOM 420 O ILE A 151 -0.129 -0.342 6.711 1.00 0.00 O ATOM 421 CB ILE A 151 -1.764 2.683 7.026 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.662 4.112 7.564 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.682 1.846 7.905 1.00 0.00 C ATOM 424 CD1 ILE A 151 -0.964 4.205 8.904 1.00 0.00 C ATOM 0 H ILE A 151 0.193 3.755 5.875 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.003 1.842 7.949 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.188 2.725 6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.126 4.727 6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -2.665 4.529 7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.664 2.316 7.956 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.779 0.846 7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.261 1.776 8.908 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -0.928 5.246 9.224 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.512 3.618 9.641 1.00 0.00 H new ATOM 0 HD13 ILE A 151 0.051 3.818 8.813 1.00 0.00 H new ATOM 436 N HIS A 152 -0.982 0.779 4.955 1.00 0.00 N ATOM 437 CA HIS A 152 -1.147 -0.415 4.134 1.00 0.00 C ATOM 438 C HIS A 152 0.202 -1.014 3.732 1.00 0.00 C ATOM 439 O HIS A 152 0.265 -2.139 3.238 1.00 0.00 O ATOM 440 CB HIS A 152 -1.969 -0.092 2.884 1.00 0.00 C ATOM 441 CG HIS A 152 -3.392 0.262 3.184 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.892 1.540 3.059 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.424 -0.502 3.613 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.169 1.549 3.398 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.517 0.321 3.737 1.00 0.00 N ATOM 0 H HIS A 152 -1.279 1.645 4.505 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.678 -1.155 4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.500 0.737 2.354 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.950 -0.951 2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.394 -1.562 3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.817 2.413 3.398 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.446 0.031 4.041 1.00 0.00 H new ATOM 452 N SER A 153 1.280 -0.263 3.949 1.00 0.00 N ATOM 453 CA SER A 153 2.617 -0.737 3.608 1.00 0.00 C ATOM 454 C SER A 153 2.933 -2.044 4.328 1.00 0.00 C ATOM 455 O SER A 153 3.707 -2.864 3.835 1.00 0.00 O ATOM 456 CB SER A 153 3.665 0.320 3.966 1.00 0.00 C ATOM 457 OG SER A 153 3.871 0.379 5.367 1.00 0.00 O ATOM 0 H SER A 153 1.253 0.671 4.357 1.00 0.00 H new ATOM 0 HA SER A 153 2.645 -0.918 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.606 0.088 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.342 1.295 3.601 1.00 0.00 H new ATOM 0 HG SER A 153 3.019 0.562 5.815 1.00 0.00 H new ATOM 463 N LYS A 154 2.329 -2.233 5.498 1.00 0.00 N ATOM 464 CA LYS A 154 2.546 -3.441 6.283 1.00 0.00 C ATOM 465 C LYS A 154 1.288 -3.819 7.060 1.00 0.00 C ATOM 466 O LYS A 154 1.366 -4.336 8.175 1.00 0.00 O ATOM 467 CB LYS A 154 3.715 -3.243 7.250 1.00 0.00 C ATOM 468 CG LYS A 154 5.066 -3.607 6.653 1.00 0.00 C ATOM 469 CD LYS A 154 5.879 -4.477 7.600 1.00 0.00 C ATOM 470 CE LYS A 154 6.870 -5.349 6.845 1.00 0.00 C ATOM 471 NZ LYS A 154 8.112 -5.587 7.631 1.00 0.00 N ATOM 0 H LYS A 154 1.686 -1.564 5.922 1.00 0.00 H new ATOM 0 HA LYS A 154 2.785 -4.252 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.738 -2.202 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.546 -3.848 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 154 4.918 -4.134 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.622 -2.697 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 154 6.415 -3.844 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 154 5.208 -5.108 8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 154 6.404 -6.305 6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 154 7.125 -4.872 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 8.761 -6.185 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 8.571 -4.677 7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 7.872 -6.065 8.523 1.00 0.00 H new ATOM 485 N ALA A 155 0.129 -3.561 6.461 1.00 0.00 N ATOM 486 CA ALA A 155 -1.144 -3.875 7.097 1.00 0.00 C ATOM 487 C ALA A 155 -1.558 -5.316 6.812 1.00 0.00 C ATOM 488 O ALA A 155 -0.943 -5.998 5.994 1.00 0.00 O ATOM 489 CB ALA A 155 -2.221 -2.911 6.622 1.00 0.00 C ATOM 0 H ALA A 155 0.046 -3.136 5.537 1.00 0.00 H new ATOM 0 HA ALA A 155 -1.022 -3.765 8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -3.167 -3.156 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.936 -1.891 6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -2.333 -2.994 5.541 1.00 0.00 H new ATOM 495 N THR A 156 -2.605 -5.771 7.492 1.00 0.00 N ATOM 496 CA THR A 156 -3.101 -7.129 7.311 1.00 0.00 C ATOM 497 C THR A 156 -3.776 -7.290 5.953 1.00 0.00 C ATOM 498 O THR A 156 -3.504 -8.244 5.223 1.00 0.00 O ATOM 499 CB THR A 156 -4.100 -7.518 8.417 1.00 0.00 C ATOM 500 OG1 THR A 156 -4.810 -6.356 8.867 1.00 0.00 O ATOM 501 CG2 THR A 156 -3.382 -8.166 9.592 1.00 0.00 C ATOM 0 H THR A 156 -3.126 -5.219 8.173 1.00 0.00 H new ATOM 0 HA THR A 156 -2.236 -7.790 7.367 1.00 0.00 H new ATOM 0 HB THR A 156 -4.806 -8.237 8.002 1.00 0.00 H new ATOM 0 HG1 THR A 156 -5.444 -6.612 9.569 1.00 0.00 H new ATOM 0 HG21 THR A 156 -4.108 -8.432 10.360 1.00 0.00 H new ATOM 0 HG22 THR A 156 -2.867 -9.065 9.253 1.00 0.00 H new ATOM 0 HG23 THR A 156 -2.656 -7.466 10.006 1.00 0.00 H new ATOM 509 N THR A 157 -4.656 -6.353 5.621 1.00 0.00 N ATOM 510 CA THR A 157 -5.370 -6.391 4.351 1.00 0.00 C ATOM 511 C THR A 157 -5.522 -4.991 3.764 1.00 0.00 C ATOM 512 O THR A 157 -5.346 -3.991 4.462 1.00 0.00 O ATOM 513 CB THR A 157 -6.767 -7.020 4.512 1.00 0.00 C ATOM 514 OG1 THR A 157 -7.535 -6.273 5.463 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.659 -8.467 4.966 1.00 0.00 C ATOM 0 H THR A 157 -4.892 -5.557 6.214 1.00 0.00 H new ATOM 0 HA THR A 157 -4.777 -7.005 3.673 1.00 0.00 H new ATOM 0 HB THR A 157 -7.266 -6.995 3.543 1.00 0.00 H new ATOM 0 HG1 THR A 157 -8.422 -6.679 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.658 -8.890 5.073 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.099 -9.040 4.226 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.142 -8.510 5.925 1.00 0.00 H new ATOM 523 N ALA A 158 -5.847 -4.927 2.477 1.00 0.00 N ATOM 524 CA ALA A 158 -6.022 -3.651 1.796 1.00 0.00 C ATOM 525 C ALA A 158 -6.892 -3.807 0.553 1.00 0.00 C ATOM 526 O ALA A 158 -6.683 -4.712 -0.255 1.00 0.00 O ATOM 527 CB ALA A 158 -4.668 -3.063 1.425 1.00 0.00 C ATOM 0 H ALA A 158 -5.994 -5.745 1.885 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.529 -2.968 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.812 -2.110 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -4.079 -2.907 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.142 -3.751 0.763 1.00 0.00 H new ATOM 533 N LEU A 159 -7.871 -2.920 0.409 1.00 0.00 N ATOM 534 CA LEU A 159 -8.775 -2.959 -0.734 1.00 0.00 C ATOM 535 C LEU A 159 -8.235 -2.118 -1.886 1.00 0.00 C ATOM 536 O LEU A 159 -8.152 -0.895 -1.788 1.00 0.00 O ATOM 537 CB LEU A 159 -10.163 -2.458 -0.331 1.00 0.00 C ATOM 538 CG LEU A 159 -11.326 -3.061 -1.120 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.100 -2.896 -2.615 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.503 -4.529 -0.765 1.00 0.00 C ATOM 0 H LEU A 159 -8.058 -2.166 1.070 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.851 -3.994 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.315 -2.669 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.189 -1.375 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.238 -2.529 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.938 -3.331 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.021 -1.836 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.178 -3.403 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.335 -4.943 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.590 -5.074 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.711 -4.623 0.301 1.00 0.00 H new ATOM 552 N VAL A 160 -7.871 -2.781 -2.979 1.00 0.00 N ATOM 553 CA VAL A 160 -7.341 -2.094 -4.150 1.00 0.00 C ATOM 554 C VAL A 160 -8.076 -2.524 -5.416 1.00 0.00 C ATOM 555 O VAL A 160 -7.760 -3.555 -6.010 1.00 0.00 O ATOM 556 CB VAL A 160 -5.834 -2.363 -4.326 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.274 -1.551 -5.485 1.00 0.00 C ATOM 558 CG2 VAL A 160 -5.082 -2.054 -3.039 1.00 0.00 C ATOM 0 H VAL A 160 -7.934 -3.794 -3.078 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.494 -1.027 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.699 -3.420 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -4.209 -1.756 -5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.790 -1.826 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.421 -0.489 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -4.019 -2.250 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.226 -1.006 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.462 -2.685 -2.235 1.00 0.00 H new ATOM 568 N GLY A 161 -9.057 -1.727 -5.825 1.00 0.00 N ATOM 569 CA GLY A 161 -9.821 -2.041 -7.017 1.00 0.00 C ATOM 570 C GLY A 161 -11.050 -2.877 -6.716 1.00 0.00 C ATOM 571 O GLY A 161 -12.150 -2.564 -7.172 1.00 0.00 O ATOM 0 H GLY A 161 -9.337 -0.868 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -10.126 -1.115 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -9.185 -2.577 -7.722 1.00 0.00 H new ATOM 575 N GLY A 162 -10.862 -3.941 -5.942 1.00 0.00 N ATOM 576 CA GLY A 162 -11.972 -4.809 -5.592 1.00 0.00 C ATOM 577 C GLY A 162 -11.532 -6.019 -4.793 1.00 0.00 C ATOM 578 O GLY A 162 -12.248 -6.481 -3.906 1.00 0.00 O ATOM 0 H GLY A 162 -9.962 -4.218 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.704 -4.243 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.471 -5.141 -6.503 1.00 0.00 H new ATOM 582 N ILE A 163 -10.348 -6.534 -5.109 1.00 0.00 N ATOM 583 CA ILE A 163 -9.810 -7.698 -4.416 1.00 0.00 C ATOM 584 C ILE A 163 -8.767 -7.286 -3.381 1.00 0.00 C ATOM 585 O ILE A 163 -7.862 -6.505 -3.676 1.00 0.00 O ATOM 586 CB ILE A 163 -9.174 -8.697 -5.403 1.00 0.00 C ATOM 587 CG1 ILE A 163 -10.143 -9.012 -6.543 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.768 -9.972 -4.678 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.453 -9.333 -7.851 1.00 0.00 C ATOM 0 H ILE A 163 -9.743 -6.163 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.647 -8.182 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.279 -8.243 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.768 -9.857 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.807 -8.160 -6.691 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.321 -10.668 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.044 -9.733 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.648 -10.430 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.201 -9.546 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.849 -8.481 -8.163 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -8.811 -10.204 -7.719 1.00 0.00 H new ATOM 601 N MET A 164 -8.900 -7.818 -2.171 1.00 0.00 N ATOM 602 CA MET A 164 -7.969 -7.505 -1.093 1.00 0.00 C ATOM 603 C MET A 164 -6.557 -7.959 -1.446 1.00 0.00 C ATOM 604 O MET A 164 -6.368 -8.828 -2.298 1.00 0.00 O ATOM 605 CB MET A 164 -8.422 -8.170 0.209 1.00 0.00 C ATOM 606 CG MET A 164 -9.314 -7.286 1.063 1.00 0.00 C ATOM 607 SD MET A 164 -10.624 -8.210 1.888 1.00 0.00 S ATOM 608 CE MET A 164 -11.657 -6.876 2.485 1.00 0.00 C ATOM 0 H MET A 164 -9.643 -8.467 -1.912 1.00 0.00 H new ATOM 0 HA MET A 164 -7.960 -6.424 -0.956 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.956 -9.090 -0.029 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.543 -8.453 0.788 1.00 0.00 H new ATOM 0 HG2 MET A 164 -8.706 -6.779 1.812 1.00 0.00 H new ATOM 0 HG3 MET A 164 -9.759 -6.513 0.437 1.00 0.00 H new ATOM 0 HE1 MET A 164 -12.352 -7.260 3.232 1.00 0.00 H new ATOM 0 HE2 MET A 164 -11.032 -6.105 2.934 1.00 0.00 H new ATOM 0 HE3 MET A 164 -12.218 -6.450 1.653 1.00 0.00 H new ATOM 618 N GLN A 165 -5.567 -7.367 -0.786 1.00 0.00 N ATOM 619 CA GLN A 165 -4.172 -7.713 -1.030 1.00 0.00 C ATOM 620 C GLN A 165 -3.267 -7.118 0.044 1.00 0.00 C ATOM 621 O GLN A 165 -3.700 -6.292 0.847 1.00 0.00 O ATOM 622 CB GLN A 165 -3.736 -7.218 -2.411 1.00 0.00 C ATOM 623 CG GLN A 165 -3.941 -5.727 -2.614 1.00 0.00 C ATOM 624 CD GLN A 165 -4.239 -5.373 -4.057 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.563 -4.536 -4.657 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.258 -6.009 -4.625 1.00 0.00 N ATOM 0 H GLN A 165 -5.705 -6.646 -0.078 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.082 -8.799 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.682 -7.455 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.293 -7.760 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.762 -5.387 -1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.048 -5.193 -2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -5.792 -6.695 -4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -5.506 -5.811 -5.594 1.00 0.00 H new ATOM 635 N ARG A 166 -2.009 -7.545 0.053 1.00 0.00 N ATOM 636 CA ARG A 166 -1.040 -7.057 1.025 1.00 0.00 C ATOM 637 C ARG A 166 0.104 -6.324 0.332 1.00 0.00 C ATOM 638 O ARG A 166 0.100 -6.160 -0.888 1.00 0.00 O ATOM 639 CB ARG A 166 -0.488 -8.217 1.854 1.00 0.00 C ATOM 640 CG ARG A 166 -1.306 -8.520 3.100 1.00 0.00 C ATOM 641 CD ARG A 166 -1.119 -9.960 3.552 1.00 0.00 C ATOM 642 NE ARG A 166 0.097 -10.130 4.347 1.00 0.00 N ATOM 643 CZ ARG A 166 0.184 -9.838 5.642 1.00 0.00 C ATOM 644 NH1 ARG A 166 -0.868 -9.358 6.294 1.00 0.00 N ATOM 645 NH2 ARG A 166 1.325 -10.027 6.289 1.00 0.00 N ATOM 0 H ARG A 166 -1.636 -8.230 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.549 -6.357 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -0.447 -9.110 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.536 -7.987 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -1.012 -7.844 3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -2.361 -8.335 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -1.983 -10.271 4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -1.076 -10.612 2.679 1.00 0.00 H new ATOM 0 HE ARG A 166 0.928 -10.494 3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -1.749 -9.211 5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -0.795 -9.136 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 166 2.137 -10.396 5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 166 1.391 -9.803 7.282 1.00 0.00 H new ATOM 659 N PHE A 167 1.083 -5.888 1.117 1.00 0.00 N ATOM 660 CA PHE A 167 2.236 -5.173 0.578 1.00 0.00 C ATOM 661 C PHE A 167 3.534 -5.892 0.931 1.00 0.00 C ATOM 662 O PHE A 167 3.770 -6.232 2.090 1.00 0.00 O ATOM 663 CB PHE A 167 2.269 -3.740 1.111 1.00 0.00 C ATOM 664 CG PHE A 167 3.276 -2.865 0.419 1.00 0.00 C ATOM 665 CD1 PHE A 167 2.960 -2.233 -0.772 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.536 -2.674 0.960 1.00 0.00 C ATOM 667 CE1 PHE A 167 3.882 -1.427 -1.412 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.464 -1.869 0.326 1.00 0.00 C ATOM 669 CZ PHE A 167 5.135 -1.245 -0.862 1.00 0.00 C ATOM 0 H PHE A 167 1.102 -6.017 2.129 1.00 0.00 H new ATOM 0 HA PHE A 167 2.141 -5.145 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.279 -3.297 1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.492 -3.763 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 167 1.981 -2.372 -1.206 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.797 -3.160 1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 167 3.623 -0.940 -2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.444 -1.728 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.858 -0.615 -1.360 1.00 0.00 H new ATOM 679 N CYS A 168 4.372 -6.119 -0.075 1.00 0.00 N ATOM 680 CA CYS A 168 5.645 -6.797 0.130 1.00 0.00 C ATOM 681 C CYS A 168 6.795 -5.795 0.170 1.00 0.00 C ATOM 682 O CYS A 168 6.723 -4.730 -0.440 1.00 0.00 O ATOM 683 CB CYS A 168 5.886 -7.824 -0.979 1.00 0.00 C ATOM 684 SG CYS A 168 6.601 -9.381 -0.397 1.00 0.00 S ATOM 0 H CYS A 168 4.192 -5.843 -1.040 1.00 0.00 H new ATOM 0 HA CYS A 168 5.602 -7.313 1.089 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.940 -8.034 -1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.549 -7.388 -1.726 1.00 0.00 H new ATOM 0 HG CYS A 168 5.654 -10.255 -0.223 1.00 0.00 H new ATOM 690 N GLN A 169 7.853 -6.147 0.893 1.00 0.00 N ATOM 691 CA GLN A 169 9.020 -5.279 1.013 1.00 0.00 C ATOM 692 C GLN A 169 10.104 -5.685 0.020 1.00 0.00 C ATOM 693 O GLN A 169 10.724 -4.836 -0.620 1.00 0.00 O ATOM 694 CB GLN A 169 9.572 -5.326 2.438 1.00 0.00 C ATOM 695 CG GLN A 169 8.847 -4.401 3.402 1.00 0.00 C ATOM 696 CD GLN A 169 9.770 -3.378 4.035 1.00 0.00 C ATOM 697 OE1 GLN A 169 10.639 -2.784 3.225 1.00 0.00 O flip ATOM 698 NE2 GLN A 169 9.703 -3.122 5.238 1.00 0.00 N flip ATOM 0 H GLN A 169 7.927 -7.026 1.404 1.00 0.00 H new ATOM 0 HA GLN A 169 8.709 -4.259 0.786 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.507 -6.348 2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.629 -5.060 2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 169 8.047 -3.884 2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 169 8.377 -4.995 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 169 9.020 -3.602 5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 169 10.330 -2.430 5.648 1.00 0.00 H new ATOM 707 N GLN A 170 10.324 -6.989 -0.105 1.00 0.00 N ATOM 708 CA GLN A 170 11.332 -7.508 -1.022 1.00 0.00 C ATOM 709 C GLN A 170 10.773 -7.629 -2.435 1.00 0.00 C ATOM 710 O GLN A 170 11.488 -7.425 -3.416 1.00 0.00 O ATOM 711 CB GLN A 170 11.833 -8.874 -0.542 1.00 0.00 C ATOM 712 CG GLN A 170 12.239 -8.892 0.922 1.00 0.00 C ATOM 713 CD GLN A 170 13.700 -9.250 1.120 1.00 0.00 C ATOM 714 OE1 GLN A 170 14.543 -8.373 1.310 1.00 0.00 O ATOM 715 NE2 GLN A 170 14.005 -10.541 1.072 1.00 0.00 N ATOM 0 H GLN A 170 9.819 -7.705 0.416 1.00 0.00 H new ATOM 0 HA GLN A 170 12.166 -6.806 -1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 170 11.051 -9.616 -0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 170 12.686 -9.173 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 170 12.046 -7.913 1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 170 11.618 -9.609 1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 170 13.272 -11.232 0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 170 14.972 -10.842 1.195 1.00 0.00 H new ATOM 724 N CYS A 171 9.489 -7.959 -2.531 1.00 0.00 N ATOM 725 CA CYS A 171 8.830 -8.104 -3.823 1.00 0.00 C ATOM 726 C CYS A 171 8.295 -6.764 -4.318 1.00 0.00 C ATOM 727 O CYS A 171 8.168 -6.541 -5.521 1.00 0.00 O ATOM 728 CB CYS A 171 7.690 -9.121 -3.725 1.00 0.00 C ATOM 729 SG CYS A 171 7.650 -10.316 -5.081 1.00 0.00 S ATOM 0 H CYS A 171 8.884 -8.131 -1.728 1.00 0.00 H new ATOM 0 HA CYS A 171 9.568 -8.464 -4.541 1.00 0.00 H new ATOM 0 HB2 CYS A 171 7.778 -9.660 -2.782 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.741 -8.586 -3.698 1.00 0.00 H new ATOM 0 HG CYS A 171 6.654 -11.134 -4.909 1.00 0.00 H new ATOM 735 N SER A 172 7.981 -5.874 -3.381 1.00 0.00 N ATOM 736 CA SER A 172 7.459 -4.554 -3.723 1.00 0.00 C ATOM 737 C SER A 172 6.104 -4.668 -4.415 1.00 0.00 C ATOM 738 O SER A 172 5.666 -5.765 -4.767 1.00 0.00 O ATOM 739 CB SER A 172 8.444 -3.806 -4.623 1.00 0.00 C ATOM 740 OG SER A 172 9.726 -3.730 -4.024 1.00 0.00 O ATOM 0 H SER A 172 8.079 -6.042 -2.380 1.00 0.00 H new ATOM 0 HA SER A 172 7.329 -3.993 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 172 8.518 -4.312 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.071 -2.801 -4.819 1.00 0.00 H new ATOM 0 HG SER A 172 10.337 -3.249 -4.620 1.00 0.00 H new ATOM 746 N ARG A 173 5.445 -3.531 -4.606 1.00 0.00 N ATOM 747 CA ARG A 173 4.139 -3.503 -5.256 1.00 0.00 C ATOM 748 C ARG A 173 3.114 -4.292 -4.449 1.00 0.00 C ATOM 749 O ARG A 173 3.471 -5.139 -3.630 1.00 0.00 O ATOM 750 CB ARG A 173 4.237 -4.071 -6.673 1.00 0.00 C ATOM 751 CG ARG A 173 2.957 -3.921 -7.479 1.00 0.00 C ATOM 752 CD ARG A 173 3.220 -4.025 -8.973 1.00 0.00 C ATOM 753 NE ARG A 173 2.764 -5.299 -9.523 1.00 0.00 N ATOM 754 CZ ARG A 173 3.463 -6.431 -9.454 1.00 0.00 C ATOM 755 NH1 ARG A 173 4.652 -6.451 -8.864 1.00 0.00 N ATOM 756 NH2 ARG A 173 2.974 -7.544 -9.979 1.00 0.00 N ATOM 0 H ARG A 173 5.793 -2.616 -4.320 1.00 0.00 H new ATOM 0 HA ARG A 173 3.811 -2.465 -5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.049 -3.571 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG A 173 4.498 -5.128 -6.615 1.00 0.00 H new ATOM 0 HG2 ARG A 173 2.246 -4.691 -7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 173 2.497 -2.958 -7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 173 2.716 -3.207 -9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 173 4.287 -3.910 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 173 1.856 -5.323 -9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 173 5.035 -5.596 -8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 173 5.182 -7.321 -8.814 1.00 0.00 H new ATOM 0 HH21 ARG A 173 2.062 -7.535 -10.436 1.00 0.00 H new ATOM 0 HH22 ARG A 173 3.509 -8.411 -9.926 1.00 0.00 H new ATOM 770 N PHE A 174 1.837 -4.008 -4.686 1.00 0.00 N ATOM 771 CA PHE A 174 0.758 -4.693 -3.981 1.00 0.00 C ATOM 772 C PHE A 174 0.583 -6.115 -4.502 1.00 0.00 C ATOM 773 O PHE A 174 0.580 -6.349 -5.711 1.00 0.00 O ATOM 774 CB PHE A 174 -0.551 -3.916 -4.135 1.00 0.00 C ATOM 775 CG PHE A 174 -0.809 -2.947 -3.015 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.137 -3.402 -1.749 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.721 -1.581 -3.231 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.374 -2.514 -0.717 1.00 0.00 C ATOM 779 CE2 PHE A 174 -0.958 -0.687 -2.205 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.284 -1.154 -0.946 1.00 0.00 C ATOM 0 H PHE A 174 1.524 -3.309 -5.360 1.00 0.00 H new ATOM 0 HA PHE A 174 1.022 -4.744 -2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.532 -3.371 -5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.379 -4.623 -4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -1.208 -4.464 -1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.464 -1.211 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.629 -2.882 0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -0.889 0.375 -2.387 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.468 -0.457 -0.142 1.00 0.00 H new ATOM 790 N HIS A 175 0.437 -7.062 -3.581 1.00 0.00 N ATOM 791 CA HIS A 175 0.261 -8.463 -3.947 1.00 0.00 C ATOM 792 C HIS A 175 -0.916 -9.076 -3.194 1.00 0.00 C ATOM 793 O HIS A 175 -1.066 -8.879 -1.988 1.00 0.00 O ATOM 794 CB HIS A 175 1.537 -9.253 -3.655 1.00 0.00 C ATOM 795 CG HIS A 175 2.639 -8.992 -4.635 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.410 -8.627 -5.945 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.984 -9.044 -4.491 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.566 -8.469 -6.564 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.537 -8.713 -5.703 1.00 0.00 N ATOM 0 H HIS A 175 0.437 -6.885 -2.576 1.00 0.00 H new ATOM 0 HA HIS A 175 0.051 -8.511 -5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.887 -9.005 -2.653 1.00 0.00 H new ATOM 0 HB3 HIS A 175 1.304 -10.318 -3.657 1.00 0.00 H new ATOM 0 HD2 HIS A 175 4.522 -9.299 -3.590 1.00 0.00 H new ATOM 0 HE1 HIS A 175 3.695 -8.188 -7.599 1.00 0.00 H new ATOM 0 HE2 HIS A 175 5.535 -8.664 -5.906 1.00 0.00 H new ATOM 807 N VAL A 176 -1.752 -9.819 -3.915 1.00 0.00 N ATOM 808 CA VAL A 176 -2.918 -10.460 -3.316 1.00 0.00 C ATOM 809 C VAL A 176 -2.515 -11.370 -2.160 1.00 0.00 C ATOM 810 O VAL A 176 -1.451 -11.991 -2.187 1.00 0.00 O ATOM 811 CB VAL A 176 -3.699 -11.286 -4.354 1.00 0.00 C ATOM 812 CG1 VAL A 176 -5.014 -11.777 -3.768 1.00 0.00 C ATOM 813 CG2 VAL A 176 -3.942 -10.468 -5.613 1.00 0.00 C ATOM 0 H VAL A 176 -1.643 -9.992 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.558 -9.662 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.100 -12.156 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -5.551 -12.359 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -4.814 -12.402 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -5.621 -10.922 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -4.495 -11.068 -6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -4.519 -9.578 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.986 -10.171 -6.044 1.00 0.00 H new ATOM 823 N LEU A 177 -3.371 -11.445 -1.147 1.00 0.00 N ATOM 824 CA LEU A 177 -3.107 -12.280 0.018 1.00 0.00 C ATOM 825 C LEU A 177 -3.602 -13.704 -0.209 1.00 0.00 C ATOM 826 O LEU A 177 -4.476 -14.192 0.510 1.00 0.00 O ATOM 827 CB LEU A 177 -3.771 -11.683 1.262 1.00 0.00 C ATOM 828 CG LEU A 177 -5.267 -11.390 1.117 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.073 -12.213 2.110 1.00 0.00 C ATOM 830 CD2 LEU A 177 -5.542 -9.905 1.306 1.00 0.00 C ATOM 0 H LEU A 177 -4.255 -10.937 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.029 -12.313 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -3.629 -12.370 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -3.258 -10.757 1.521 1.00 0.00 H new ATOM 0 HG LEU A 177 -5.575 -11.671 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -7.133 -11.990 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -5.902 -13.274 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -5.762 -11.965 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -6.610 -9.716 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -5.217 -9.598 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -4.996 -9.335 0.554 1.00 0.00 H new ATOM 842 N GLU A 178 -3.039 -14.368 -1.213 1.00 0.00 N ATOM 843 CA GLU A 178 -3.424 -15.736 -1.535 1.00 0.00 C ATOM 844 C GLU A 178 -2.752 -16.725 -0.589 1.00 0.00 C ATOM 845 O GLU A 178 -3.332 -17.751 -0.233 1.00 0.00 O ATOM 846 CB GLU A 178 -3.056 -16.065 -2.983 1.00 0.00 C ATOM 847 CG GLU A 178 -3.648 -15.099 -3.995 1.00 0.00 C ATOM 848 CD GLU A 178 -4.157 -15.799 -5.241 1.00 0.00 C ATOM 849 OE1 GLU A 178 -3.322 -16.263 -6.044 1.00 0.00 O ATOM 850 OE2 GLU A 178 -5.392 -15.883 -5.413 1.00 0.00 O ATOM 0 H GLU A 178 -2.315 -13.980 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 178 -4.504 -15.822 -1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -1.971 -16.063 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -3.395 -17.075 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -4.467 -14.549 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -2.892 -14.366 -4.278 1.00 0.00 H new ATOM 857 N GLU A 179 -1.526 -16.409 -0.186 1.00 0.00 N ATOM 858 CA GLU A 179 -0.774 -17.269 0.720 1.00 0.00 C ATOM 859 C GLU A 179 0.083 -16.442 1.675 1.00 0.00 C ATOM 860 O GLU A 179 1.103 -16.915 2.175 1.00 0.00 O ATOM 861 CB GLU A 179 0.112 -18.230 -0.075 1.00 0.00 C ATOM 862 CG GLU A 179 -0.669 -19.304 -0.816 1.00 0.00 C ATOM 863 CD GLU A 179 -0.614 -19.130 -2.321 1.00 0.00 C ATOM 864 OE1 GLU A 179 0.502 -19.144 -2.881 1.00 0.00 O ATOM 865 OE2 GLU A 179 -1.688 -18.981 -2.941 1.00 0.00 O ATOM 0 H GLU A 179 -1.032 -15.564 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 179 -1.488 -17.844 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 179 0.700 -17.659 -0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 179 0.817 -18.709 0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -0.272 -20.284 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -1.709 -19.283 -0.489 1.00 0.00 H new ATOM 872 N PHE A 180 -0.337 -15.205 1.924 1.00 0.00 N ATOM 873 CA PHE A 180 0.394 -14.316 2.819 1.00 0.00 C ATOM 874 C PHE A 180 -0.035 -14.527 4.267 1.00 0.00 C ATOM 875 O PHE A 180 -1.137 -14.143 4.661 1.00 0.00 O ATOM 876 CB PHE A 180 0.171 -12.858 2.416 1.00 0.00 C ATOM 877 CG PHE A 180 1.224 -12.325 1.486 1.00 0.00 C ATOM 878 CD1 PHE A 180 2.563 -12.359 1.841 1.00 0.00 C ATOM 879 CD2 PHE A 180 0.876 -11.789 0.257 1.00 0.00 C ATOM 880 CE1 PHE A 180 3.533 -11.870 0.989 1.00 0.00 C ATOM 881 CE2 PHE A 180 1.841 -11.298 -0.601 1.00 0.00 C ATOM 882 CZ PHE A 180 3.172 -11.339 -0.235 1.00 0.00 C ATOM 0 H PHE A 180 -1.179 -14.796 1.519 1.00 0.00 H new ATOM 0 HA PHE A 180 1.455 -14.551 2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -0.804 -12.767 1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 180 0.145 -12.241 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 180 2.851 -12.773 2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -0.163 -11.755 -0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 180 4.573 -11.902 1.279 1.00 0.00 H new ATOM 0 HE2 PHE A 180 1.555 -10.883 -1.556 1.00 0.00 H new ATOM 0 HZ PHE A 180 3.929 -10.957 -0.904 1.00 0.00 H new ATOM 892 N ASP A 181 0.840 -15.139 5.057 1.00 0.00 N ATOM 893 CA ASP A 181 0.552 -15.402 6.462 1.00 0.00 C ATOM 894 C ASP A 181 1.109 -14.292 7.347 1.00 0.00 C ATOM 895 O ASP A 181 1.570 -13.272 6.796 1.00 0.00 O ATOM 896 CB ASP A 181 1.140 -16.749 6.884 1.00 0.00 C ATOM 897 CG ASP A 181 0.337 -17.922 6.354 1.00 0.00 C ATOM 898 OD1 ASP A 181 -0.251 -17.794 5.259 1.00 0.00 O ATOM 899 OD2 ASP A 181 0.295 -18.967 7.037 1.00 0.00 O ATOM 900 OXT ASP A 181 1.077 -14.452 8.586 1.00 0.00 O ATOM 0 H ASP A 181 1.756 -15.463 4.748 1.00 0.00 H new ATOM 0 HA ASP A 181 -0.531 -15.433 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 181 2.166 -16.823 6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 181 1.179 -16.801 7.972 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.374 3.548 2.517 1.00 0.00 ZN