USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 488 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 122 HIS HE2 : A 122 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 126 HIS HE2 : A 126 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 150 HIS HE2 : A 150 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD NoAdj-H: A 155 HIS HE2 : A 155 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD Set 1.1: A 130 LYS NZ :NH3+ -177:sc= 0.0114 (180deg=0.00396) USER MOD Set 1.2: A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0396 USER MOD Single : A 110 THR OG1 : rot 3:sc= 0.436 USER MOD Single : A 116 GLN : amide:sc= -0.662 K(o=-0.66,f=-3.9!) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 128 ASN : amide:sc= -3.76 K(o=-3.8,f=-5.3!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -2.48 K(o=-2.5,f=-0.55!) USER MOD Single : A 152 GLN : amide:sc= -1.02 K(o=-1,f=-3.4!) USER MOD Single : A 153 LYS NZ :NH3+ 161:sc= -0.0151 (180deg=-0.3) USER MOD Single : A 156 SER OG : rot -64:sc= 1.16 USER MOD Single : A 158 ASN : amide:sc= -0.144 K(o=-0.14,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 102 -35.734 17.771 34.444 1.00 0.00 N ATOM 2 CA ARG A 102 -34.400 17.455 33.846 1.00 0.00 C ATOM 3 C ARG A 102 -34.618 16.762 32.498 1.00 0.00 C ATOM 4 O ARG A 102 -34.799 15.560 32.434 1.00 0.00 O ATOM 5 CB ARG A 102 -33.612 16.524 34.783 1.00 0.00 C ATOM 6 CG ARG A 102 -32.520 17.320 35.508 1.00 0.00 C ATOM 7 CD ARG A 102 -32.425 16.854 36.963 1.00 0.00 C ATOM 8 NE ARG A 102 -31.470 15.715 37.057 1.00 0.00 N ATOM 9 CZ ARG A 102 -31.166 15.212 38.222 1.00 0.00 C ATOM 10 NH1 ARG A 102 -32.101 14.710 38.981 1.00 0.00 N ATOM 11 NH2 ARG A 102 -29.925 15.210 38.628 1.00 0.00 N ATOM 0 HA ARG A 102 -33.833 18.375 33.706 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -34.286 16.069 35.509 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -33.164 15.712 34.211 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -31.562 17.181 35.008 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -32.747 18.385 35.471 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -32.092 17.675 37.598 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -33.408 16.550 37.324 1.00 0.00 H new ATOM 0 HE ARG A 102 -31.053 15.328 36.210 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -33.070 14.711 38.664 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -31.863 14.317 39.892 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -29.194 15.602 38.035 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -29.687 14.817 39.539 1.00 0.00 H new ATOM 25 N SER A 103 -34.606 17.512 31.425 1.00 0.00 N ATOM 26 CA SER A 103 -34.820 16.903 30.080 1.00 0.00 C ATOM 27 C SER A 103 -33.653 15.975 29.742 1.00 0.00 C ATOM 28 O SER A 103 -32.527 16.206 30.143 1.00 0.00 O ATOM 29 CB SER A 103 -34.922 18.004 29.022 1.00 0.00 C ATOM 30 OG SER A 103 -35.423 19.191 29.622 1.00 0.00 O ATOM 0 H SER A 103 -34.457 18.521 31.424 1.00 0.00 H new ATOM 0 HA SER A 103 -35.746 16.329 30.092 1.00 0.00 H new ATOM 0 HB2 SER A 103 -33.943 18.192 28.581 1.00 0.00 H new ATOM 0 HB3 SER A 103 -35.580 17.686 28.213 1.00 0.00 H new ATOM 0 HG SER A 103 -35.487 19.897 28.946 1.00 0.00 H new ATOM 36 N PHE A 104 -33.917 14.925 29.004 1.00 0.00 N ATOM 37 CA PHE A 104 -32.831 13.972 28.631 1.00 0.00 C ATOM 38 C PHE A 104 -32.194 14.428 27.318 1.00 0.00 C ATOM 39 O PHE A 104 -32.777 14.305 26.259 1.00 0.00 O ATOM 40 CB PHE A 104 -33.417 12.570 28.455 1.00 0.00 C ATOM 41 CG PHE A 104 -34.159 12.175 29.709 1.00 0.00 C ATOM 42 CD1 PHE A 104 -35.499 12.547 29.874 1.00 0.00 C ATOM 43 CD2 PHE A 104 -33.508 11.438 30.706 1.00 0.00 C ATOM 44 CE1 PHE A 104 -36.188 12.180 31.037 1.00 0.00 C ATOM 45 CE2 PHE A 104 -34.197 11.073 31.867 1.00 0.00 C ATOM 46 CZ PHE A 104 -35.537 11.443 32.033 1.00 0.00 C ATOM 0 H PHE A 104 -34.841 14.688 28.644 1.00 0.00 H new ATOM 0 HA PHE A 104 -32.077 13.950 29.418 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -34.091 12.551 27.599 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -32.621 11.854 28.250 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -36.001 13.116 29.105 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -32.474 11.152 30.578 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -37.222 12.466 31.165 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -33.695 10.505 32.636 1.00 0.00 H new ATOM 0 HZ PHE A 104 -36.068 11.160 32.930 1.00 0.00 H new ATOM 56 N VAL A 105 -31.003 14.957 27.387 1.00 0.00 N ATOM 57 CA VAL A 105 -30.310 15.436 26.151 1.00 0.00 C ATOM 58 C VAL A 105 -29.004 14.645 25.974 1.00 0.00 C ATOM 59 O VAL A 105 -28.304 14.357 26.925 1.00 0.00 O ATOM 60 CB VAL A 105 -30.047 16.966 26.261 1.00 0.00 C ATOM 61 CG1 VAL A 105 -29.660 17.344 27.696 1.00 0.00 C ATOM 62 CG2 VAL A 105 -28.926 17.416 25.304 1.00 0.00 C ATOM 0 H VAL A 105 -30.475 15.080 28.251 1.00 0.00 H new ATOM 0 HA VAL A 105 -30.934 15.269 25.273 1.00 0.00 H new ATOM 0 HB VAL A 105 -30.971 17.473 25.983 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -29.480 18.417 27.754 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -30.470 17.075 28.374 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -28.755 16.808 27.982 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -28.769 18.490 25.407 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.004 16.889 25.550 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -29.211 17.188 24.277 1.00 0.00 H new ATOM 72 N CYS A 106 -28.684 14.302 24.752 1.00 0.00 N ATOM 73 CA CYS A 106 -27.434 13.535 24.482 1.00 0.00 C ATOM 74 C CYS A 106 -26.222 14.440 24.717 1.00 0.00 C ATOM 75 O CYS A 106 -26.244 15.613 24.396 1.00 0.00 O ATOM 76 CB CYS A 106 -27.438 13.051 23.030 1.00 0.00 C ATOM 77 SG CYS A 106 -26.028 11.951 22.750 1.00 0.00 S ATOM 0 H CYS A 106 -29.240 14.523 23.926 1.00 0.00 H new ATOM 0 HA CYS A 106 -27.381 12.676 25.151 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -28.369 12.527 22.814 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -27.387 13.903 22.352 1.00 0.00 H new ATOM 82 N GLU A 107 -25.167 13.902 25.276 1.00 0.00 N ATOM 83 CA GLU A 107 -23.947 14.724 25.539 1.00 0.00 C ATOM 84 C GLU A 107 -22.983 14.649 24.346 1.00 0.00 C ATOM 85 O GLU A 107 -21.798 14.887 24.492 1.00 0.00 O ATOM 86 CB GLU A 107 -23.241 14.199 26.791 1.00 0.00 C ATOM 87 CG GLU A 107 -24.232 14.156 27.957 1.00 0.00 C ATOM 88 CD GLU A 107 -23.491 13.783 29.243 1.00 0.00 C ATOM 89 OE1 GLU A 107 -22.979 12.678 29.309 1.00 0.00 O ATOM 90 OE2 GLU A 107 -23.450 14.610 30.139 1.00 0.00 O ATOM 0 H GLU A 107 -25.098 12.925 25.562 1.00 0.00 H new ATOM 0 HA GLU A 107 -24.247 15.761 25.687 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -22.840 13.203 26.604 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -22.397 14.841 27.041 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -24.717 15.125 28.072 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -25.018 13.429 27.754 1.00 0.00 H new ATOM 97 N VAL A 108 -23.471 14.322 23.172 1.00 0.00 N ATOM 98 CA VAL A 108 -22.572 14.235 21.984 1.00 0.00 C ATOM 99 C VAL A 108 -23.078 15.170 20.885 1.00 0.00 C ATOM 100 O VAL A 108 -22.323 15.935 20.315 1.00 0.00 O ATOM 101 CB VAL A 108 -22.550 12.797 21.462 1.00 0.00 C ATOM 102 CG1 VAL A 108 -21.514 12.674 20.343 1.00 0.00 C ATOM 103 CG2 VAL A 108 -22.180 11.846 22.603 1.00 0.00 C ATOM 0 H VAL A 108 -24.452 14.112 22.989 1.00 0.00 H new ATOM 0 HA VAL A 108 -21.564 14.531 22.273 1.00 0.00 H new ATOM 0 HB VAL A 108 -23.535 12.537 21.075 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -21.499 11.649 19.972 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -21.775 13.351 19.529 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -20.529 12.934 20.729 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -22.164 10.821 22.232 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -21.195 12.107 22.989 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -22.917 11.931 23.401 1.00 0.00 H new ATOM 113 N CYS A 109 -24.351 15.114 20.586 1.00 0.00 N ATOM 114 CA CYS A 109 -24.911 16.002 19.523 1.00 0.00 C ATOM 115 C CYS A 109 -25.810 17.083 20.142 1.00 0.00 C ATOM 116 O CYS A 109 -26.484 17.804 19.432 1.00 0.00 O ATOM 117 CB CYS A 109 -25.721 15.165 18.526 1.00 0.00 C ATOM 118 SG CYS A 109 -26.996 14.226 19.403 1.00 0.00 S ATOM 0 H CYS A 109 -25.026 14.492 21.032 1.00 0.00 H new ATOM 0 HA CYS A 109 -24.086 16.490 19.004 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -26.182 15.815 17.783 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -25.061 14.484 17.988 1.00 0.00 H new ATOM 123 N THR A 110 -25.819 17.211 21.453 1.00 0.00 N ATOM 124 CA THR A 110 -26.665 18.258 22.121 1.00 0.00 C ATOM 125 C THR A 110 -28.107 18.215 21.589 1.00 0.00 C ATOM 126 O THR A 110 -28.665 19.223 21.197 1.00 0.00 O ATOM 127 CB THR A 110 -26.063 19.649 21.872 1.00 0.00 C ATOM 128 OG1 THR A 110 -26.240 20.010 20.510 1.00 0.00 O ATOM 129 CG2 THR A 110 -24.569 19.636 22.208 1.00 0.00 C ATOM 0 H THR A 110 -25.273 16.632 22.091 1.00 0.00 H new ATOM 0 HA THR A 110 -26.684 18.055 23.192 1.00 0.00 H new ATOM 0 HB THR A 110 -26.568 20.376 22.508 1.00 0.00 H new ATOM 0 HG1 THR A 110 -26.743 19.307 20.048 1.00 0.00 H new ATOM 0 HG21 THR A 110 -24.147 20.625 22.029 1.00 0.00 H new ATOM 0 HG22 THR A 110 -24.434 19.368 23.256 1.00 0.00 H new ATOM 0 HG23 THR A 110 -24.061 18.906 21.578 1.00 0.00 H new ATOM 137 N ARG A 111 -28.709 17.053 21.576 1.00 0.00 N ATOM 138 CA ARG A 111 -30.110 16.936 21.074 1.00 0.00 C ATOM 139 C ARG A 111 -31.080 17.164 22.235 1.00 0.00 C ATOM 140 O ARG A 111 -30.712 17.701 23.261 1.00 0.00 O ATOM 141 CB ARG A 111 -30.321 15.535 20.485 1.00 0.00 C ATOM 142 CG ARG A 111 -31.124 15.634 19.181 1.00 0.00 C ATOM 143 CD ARG A 111 -30.546 14.673 18.134 1.00 0.00 C ATOM 144 NE ARG A 111 -30.278 15.419 16.872 1.00 0.00 N ATOM 145 CZ ARG A 111 -31.192 15.479 15.943 1.00 0.00 C ATOM 146 NH1 ARG A 111 -32.434 15.718 16.262 1.00 0.00 N ATOM 147 NH2 ARG A 111 -30.862 15.300 14.692 1.00 0.00 N ATOM 0 H ARG A 111 -28.289 16.179 21.892 1.00 0.00 H new ATOM 0 HA ARG A 111 -30.292 17.682 20.300 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -29.358 15.062 20.294 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -30.849 14.905 21.201 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -32.170 15.393 19.369 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -31.095 16.656 18.803 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -29.625 14.223 18.506 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -31.246 13.858 17.946 1.00 0.00 H new ATOM 0 HE ARG A 111 -29.380 15.883 16.735 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -32.692 15.858 17.239 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -33.147 15.765 15.535 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -29.891 15.114 14.442 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -31.576 15.347 13.965 1.00 0.00 H new ATOM 161 N ALA A 112 -32.316 16.759 22.083 1.00 0.00 N ATOM 162 CA ALA A 112 -33.306 16.951 23.182 1.00 0.00 C ATOM 163 C ALA A 112 -34.355 15.842 23.134 1.00 0.00 C ATOM 164 O ALA A 112 -35.445 16.022 22.621 1.00 0.00 O ATOM 165 CB ALA A 112 -33.989 18.307 23.028 1.00 0.00 C ATOM 0 H ALA A 112 -32.680 16.304 21.246 1.00 0.00 H new ATOM 0 HA ALA A 112 -32.787 16.914 24.140 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -34.712 18.444 23.833 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -33.241 19.098 23.074 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -34.503 18.349 22.068 1.00 0.00 H new ATOM 171 N PHE A 113 -34.032 14.700 23.673 1.00 0.00 N ATOM 172 CA PHE A 113 -34.997 13.564 23.682 1.00 0.00 C ATOM 173 C PHE A 113 -35.767 13.574 25.004 1.00 0.00 C ATOM 174 O PHE A 113 -35.193 13.755 26.062 1.00 0.00 O ATOM 175 CB PHE A 113 -34.234 12.244 23.546 1.00 0.00 C ATOM 176 CG PHE A 113 -33.690 12.117 22.143 1.00 0.00 C ATOM 177 CD1 PHE A 113 -34.566 11.942 21.065 1.00 0.00 C ATOM 178 CD2 PHE A 113 -32.309 12.173 21.922 1.00 0.00 C ATOM 179 CE1 PHE A 113 -34.059 11.823 19.765 1.00 0.00 C ATOM 180 CE2 PHE A 113 -31.803 12.054 20.622 1.00 0.00 C ATOM 181 CZ PHE A 113 -32.678 11.879 19.544 1.00 0.00 C ATOM 0 H PHE A 113 -33.133 14.503 24.112 1.00 0.00 H new ATOM 0 HA PHE A 113 -35.693 13.665 22.849 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -33.418 12.207 24.268 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -34.894 11.406 23.768 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -35.632 11.899 21.236 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -31.634 12.308 22.754 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -34.734 11.688 18.933 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -30.737 12.097 20.451 1.00 0.00 H new ATOM 0 HZ PHE A 113 -32.288 11.787 18.541 1.00 0.00 H new ATOM 191 N ALA A 114 -37.062 13.387 24.953 1.00 0.00 N ATOM 192 CA ALA A 114 -37.871 13.392 26.208 1.00 0.00 C ATOM 193 C ALA A 114 -38.124 11.953 26.667 1.00 0.00 C ATOM 194 O ALA A 114 -39.116 11.665 27.308 1.00 0.00 O ATOM 195 CB ALA A 114 -39.206 14.086 25.947 1.00 0.00 C ATOM 0 H ALA A 114 -37.593 13.231 24.096 1.00 0.00 H new ATOM 0 HA ALA A 114 -37.327 13.926 26.987 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -39.799 14.091 26.862 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -39.026 15.112 25.626 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -39.748 13.551 25.167 1.00 0.00 H new ATOM 201 N ARG A 115 -37.230 11.055 26.346 1.00 0.00 N ATOM 202 CA ARG A 115 -37.404 9.632 26.762 1.00 0.00 C ATOM 203 C ARG A 115 -36.036 9.030 27.089 1.00 0.00 C ATOM 204 O ARG A 115 -35.085 9.190 26.347 1.00 0.00 O ATOM 205 CB ARG A 115 -38.051 8.840 25.625 1.00 0.00 C ATOM 206 CG ARG A 115 -39.495 9.310 25.433 1.00 0.00 C ATOM 207 CD ARG A 115 -40.323 8.933 26.664 1.00 0.00 C ATOM 208 NE ARG A 115 -41.772 9.082 26.353 1.00 0.00 N ATOM 209 CZ ARG A 115 -42.540 9.784 27.141 1.00 0.00 C ATOM 210 NH1 ARG A 115 -42.726 9.407 28.377 1.00 0.00 N ATOM 211 NH2 ARG A 115 -43.124 10.862 26.692 1.00 0.00 N ATOM 0 H ARG A 115 -36.383 11.247 25.811 1.00 0.00 H new ATOM 0 HA ARG A 115 -38.044 9.586 27.643 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -37.486 8.979 24.703 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -38.031 7.774 25.853 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -39.520 10.389 25.281 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -39.922 8.853 24.540 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -40.107 7.906 26.960 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -40.053 9.571 27.506 1.00 0.00 H new ATOM 0 HE ARG A 115 -42.164 8.635 25.524 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -42.271 8.564 28.727 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -43.326 9.956 28.993 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -42.980 11.155 25.726 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -43.724 11.411 27.307 1.00 0.00 H new ATOM 225 N GLN A 116 -35.932 8.343 28.198 1.00 0.00 N ATOM 226 CA GLN A 116 -34.629 7.728 28.586 1.00 0.00 C ATOM 227 C GLN A 116 -34.406 6.440 27.786 1.00 0.00 C ATOM 228 O GLN A 116 -33.282 6.046 27.535 1.00 0.00 O ATOM 229 CB GLN A 116 -34.644 7.404 30.080 1.00 0.00 C ATOM 230 CG GLN A 116 -33.242 6.986 30.528 1.00 0.00 C ATOM 231 CD GLN A 116 -32.388 8.233 30.763 1.00 0.00 C ATOM 232 OE1 GLN A 116 -32.054 8.939 29.833 1.00 0.00 O ATOM 233 NE2 GLN A 116 -32.018 8.535 31.978 1.00 0.00 N ATOM 0 H GLN A 116 -36.697 8.182 28.853 1.00 0.00 H new ATOM 0 HA GLN A 116 -33.822 8.429 28.372 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -34.974 8.274 30.648 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -35.355 6.603 30.282 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -33.302 6.396 31.442 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -32.780 6.354 29.770 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -32.299 7.942 32.759 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -31.448 9.364 32.146 1.00 0.00 H new ATOM 242 N GLU A 117 -35.467 5.784 27.388 1.00 0.00 N ATOM 243 CA GLU A 117 -35.324 4.521 26.606 1.00 0.00 C ATOM 244 C GLU A 117 -34.796 4.838 25.205 1.00 0.00 C ATOM 245 O GLU A 117 -33.960 4.131 24.674 1.00 0.00 O ATOM 246 CB GLU A 117 -36.686 3.834 26.494 1.00 0.00 C ATOM 247 CG GLU A 117 -36.512 2.452 25.861 1.00 0.00 C ATOM 248 CD GLU A 117 -37.569 1.497 26.420 1.00 0.00 C ATOM 249 OE1 GLU A 117 -38.741 1.820 26.321 1.00 0.00 O ATOM 250 OE2 GLU A 117 -37.188 0.461 26.938 1.00 0.00 O ATOM 0 H GLU A 117 -36.428 6.071 27.572 1.00 0.00 H new ATOM 0 HA GLU A 117 -34.622 3.860 27.114 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -37.139 3.739 27.481 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -37.362 4.440 25.890 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -36.607 2.522 24.777 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -35.513 2.068 26.069 1.00 0.00 H new ATOM 257 N HIS A 118 -35.278 5.896 24.604 1.00 0.00 N ATOM 258 CA HIS A 118 -34.811 6.266 23.235 1.00 0.00 C ATOM 259 C HIS A 118 -33.373 6.787 23.306 1.00 0.00 C ATOM 260 O HIS A 118 -32.590 6.595 22.395 1.00 0.00 O ATOM 261 CB HIS A 118 -35.719 7.356 22.662 1.00 0.00 C ATOM 262 CG HIS A 118 -36.919 6.723 22.016 1.00 0.00 C ATOM 263 ND1 HIS A 118 -38.161 6.695 22.632 1.00 0.00 N ATOM 264 CD2 HIS A 118 -37.086 6.090 20.808 1.00 0.00 C ATOM 265 CE1 HIS A 118 -39.012 6.064 21.800 1.00 0.00 C ATOM 266 NE2 HIS A 118 -38.407 5.677 20.674 1.00 0.00 N ATOM 0 H HIS A 118 -35.977 6.521 25.005 1.00 0.00 H new ATOM 0 HA HIS A 118 -34.847 5.387 22.592 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -36.035 8.034 23.455 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -35.172 7.952 21.932 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -36.309 5.936 20.074 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -40.056 5.892 22.017 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -38.825 5.184 19.885 1.00 0.00 H new ATOM 274 N LEU A 119 -33.025 7.446 24.381 1.00 0.00 N ATOM 275 CA LEU A 119 -31.647 7.987 24.525 1.00 0.00 C ATOM 276 C LEU A 119 -30.667 6.844 24.810 1.00 0.00 C ATOM 277 O LEU A 119 -29.497 6.930 24.495 1.00 0.00 O ATOM 278 CB LEU A 119 -31.618 8.983 25.688 1.00 0.00 C ATOM 279 CG LEU A 119 -30.646 10.122 25.373 1.00 0.00 C ATOM 280 CD1 LEU A 119 -30.657 11.131 26.520 1.00 0.00 C ATOM 281 CD2 LEU A 119 -29.234 9.558 25.214 1.00 0.00 C ATOM 0 H LEU A 119 -33.644 7.632 25.170 1.00 0.00 H new ATOM 0 HA LEU A 119 -31.355 8.487 23.601 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -32.617 9.383 25.861 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -31.314 8.477 26.604 1.00 0.00 H new ATOM 0 HG LEU A 119 -30.951 10.613 24.449 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -29.965 11.943 26.297 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -31.663 11.534 26.640 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -30.351 10.637 27.442 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -28.541 10.369 24.990 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -28.932 9.068 26.140 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -29.221 8.834 24.399 1.00 0.00 H new ATOM 293 N LYS A 120 -31.136 5.778 25.411 1.00 0.00 N ATOM 294 CA LYS A 120 -30.234 4.630 25.727 1.00 0.00 C ATOM 295 C LYS A 120 -29.618 4.078 24.438 1.00 0.00 C ATOM 296 O LYS A 120 -28.464 3.693 24.409 1.00 0.00 O ATOM 297 CB LYS A 120 -31.039 3.527 26.417 1.00 0.00 C ATOM 298 CG LYS A 120 -30.960 3.706 27.934 1.00 0.00 C ATOM 299 CD LYS A 120 -31.392 2.411 28.624 1.00 0.00 C ATOM 300 CE LYS A 120 -31.420 2.623 30.138 1.00 0.00 C ATOM 301 NZ LYS A 120 -31.488 1.302 30.823 1.00 0.00 N ATOM 0 H LYS A 120 -32.107 5.654 25.697 1.00 0.00 H new ATOM 0 HA LYS A 120 -29.437 4.973 26.387 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -32.078 3.563 26.090 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -30.650 2.549 26.135 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -29.943 3.965 28.228 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -31.602 4.529 28.248 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -32.378 2.110 28.270 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -30.703 1.605 28.372 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -30.529 3.165 30.457 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -32.280 3.233 30.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -31.507 1.446 31.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -32.350 0.802 30.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -30.654 0.735 30.568 1.00 0.00 H new ATOM 315 N ARG A 121 -30.379 4.035 23.374 1.00 0.00 N ATOM 316 CA ARG A 121 -29.846 3.504 22.084 1.00 0.00 C ATOM 317 C ARG A 121 -29.228 4.644 21.270 1.00 0.00 C ATOM 318 O ARG A 121 -28.320 4.436 20.488 1.00 0.00 O ATOM 319 CB ARG A 121 -30.987 2.867 21.285 1.00 0.00 C ATOM 320 CG ARG A 121 -30.425 1.781 20.351 1.00 0.00 C ATOM 321 CD ARG A 121 -31.130 0.447 20.620 1.00 0.00 C ATOM 322 NE ARG A 121 -31.170 -0.356 19.367 1.00 0.00 N ATOM 323 CZ ARG A 121 -31.935 -1.411 19.294 1.00 0.00 C ATOM 324 NH1 ARG A 121 -33.230 -1.274 19.213 1.00 0.00 N ATOM 325 NH2 ARG A 121 -31.404 -2.603 19.303 1.00 0.00 N ATOM 0 H ARG A 121 -31.350 4.346 23.344 1.00 0.00 H new ATOM 0 HA ARG A 121 -29.082 2.755 22.291 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -31.720 2.432 21.964 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -31.505 3.629 20.702 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -30.567 2.074 19.311 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -29.352 1.673 20.508 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -30.604 -0.103 21.400 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -32.142 0.625 20.983 1.00 0.00 H new ATOM 0 HE ARG A 121 -30.600 -0.082 18.567 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -33.645 -0.342 19.207 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -33.828 -2.099 19.156 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -30.392 -2.710 19.367 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -32.001 -3.428 19.246 1.00 0.00 H new ATOM 339 N HIS A 122 -29.715 5.848 21.446 1.00 0.00 N ATOM 340 CA HIS A 122 -29.163 7.006 20.683 1.00 0.00 C ATOM 341 C HIS A 122 -27.689 7.207 21.077 1.00 0.00 C ATOM 342 O HIS A 122 -26.889 7.679 20.292 1.00 0.00 O ATOM 343 CB HIS A 122 -29.990 8.263 21.015 1.00 0.00 C ATOM 344 CG HIS A 122 -29.353 9.497 20.421 1.00 0.00 C ATOM 345 ND1 HIS A 122 -29.456 9.809 19.075 1.00 0.00 N ATOM 346 CD2 HIS A 122 -28.601 10.500 20.981 1.00 0.00 C ATOM 347 CE1 HIS A 122 -28.783 10.955 18.871 1.00 0.00 C ATOM 348 NE2 HIS A 122 -28.244 11.421 20.001 1.00 0.00 N ATOM 0 H HIS A 122 -30.474 6.077 22.088 1.00 0.00 H new ATOM 0 HA HIS A 122 -29.219 6.820 19.610 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -31.003 8.150 20.629 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -30.072 8.375 22.096 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -29.952 9.268 18.367 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -28.328 10.564 22.024 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -28.690 11.440 17.910 1.00 0.00 H new ATOM 356 N TYR A 123 -27.333 6.854 22.286 1.00 0.00 N ATOM 357 CA TYR A 123 -25.920 7.023 22.738 1.00 0.00 C ATOM 358 C TYR A 123 -25.083 5.825 22.281 1.00 0.00 C ATOM 359 O TYR A 123 -23.885 5.934 22.094 1.00 0.00 O ATOM 360 CB TYR A 123 -25.882 7.118 24.265 1.00 0.00 C ATOM 361 CG TYR A 123 -24.527 7.619 24.706 1.00 0.00 C ATOM 362 CD1 TYR A 123 -24.137 8.932 24.417 1.00 0.00 C ATOM 363 CD2 TYR A 123 -23.662 6.771 25.406 1.00 0.00 C ATOM 364 CE1 TYR A 123 -22.881 9.396 24.827 1.00 0.00 C ATOM 365 CE2 TYR A 123 -22.406 7.234 25.818 1.00 0.00 C ATOM 366 CZ TYR A 123 -22.016 8.547 25.527 1.00 0.00 C ATOM 367 OH TYR A 123 -20.779 9.005 25.933 1.00 0.00 O ATOM 0 H TYR A 123 -27.963 6.455 22.982 1.00 0.00 H new ATOM 0 HA TYR A 123 -25.510 7.935 22.304 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -26.663 7.792 24.617 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -26.081 6.141 24.706 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -24.805 9.587 23.878 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -23.963 5.758 25.629 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -22.580 10.409 24.603 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -21.739 6.579 26.359 1.00 0.00 H new ATOM 0 HH TYR A 123 -20.305 8.290 26.407 1.00 0.00 H new ATOM 377 N ARG A 124 -25.702 4.684 22.103 1.00 0.00 N ATOM 378 CA ARG A 124 -24.944 3.476 21.662 1.00 0.00 C ATOM 379 C ARG A 124 -24.382 3.701 20.255 1.00 0.00 C ATOM 380 O ARG A 124 -23.368 3.137 19.892 1.00 0.00 O ATOM 381 CB ARG A 124 -25.881 2.263 21.652 1.00 0.00 C ATOM 382 CG ARG A 124 -25.716 1.479 22.954 1.00 0.00 C ATOM 383 CD ARG A 124 -26.366 0.101 22.810 1.00 0.00 C ATOM 384 NE ARG A 124 -26.307 -0.615 24.115 1.00 0.00 N ATOM 385 CZ ARG A 124 -25.254 -1.321 24.425 1.00 0.00 C ATOM 386 NH1 ARG A 124 -24.146 -0.722 24.767 1.00 0.00 N ATOM 387 NH2 ARG A 124 -25.309 -2.624 24.396 1.00 0.00 N ATOM 0 H ARG A 124 -26.702 4.539 22.245 1.00 0.00 H new ATOM 0 HA ARG A 124 -24.120 3.295 22.352 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -26.915 2.590 21.541 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -25.655 1.623 20.799 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -24.658 1.370 23.193 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -26.175 2.024 23.779 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -27.402 0.208 22.488 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -25.852 -0.477 22.042 1.00 0.00 H new ATOM 0 HE ARG A 124 -27.090 -0.553 24.766 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -24.104 0.297 24.792 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -23.322 -1.273 25.010 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -26.176 -3.092 24.131 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -24.485 -3.175 24.638 1.00 0.00 H new ATOM 401 N SER A 125 -25.030 4.519 19.465 1.00 0.00 N ATOM 402 CA SER A 125 -24.533 4.781 18.081 1.00 0.00 C ATOM 403 C SER A 125 -23.717 6.077 18.060 1.00 0.00 C ATOM 404 O SER A 125 -23.644 6.755 17.053 1.00 0.00 O ATOM 405 CB SER A 125 -25.723 4.913 17.130 1.00 0.00 C ATOM 406 OG SER A 125 -26.599 5.924 17.611 1.00 0.00 O ATOM 0 H SER A 125 -25.883 5.017 19.719 1.00 0.00 H new ATOM 0 HA SER A 125 -23.900 3.953 17.763 1.00 0.00 H new ATOM 0 HB2 SER A 125 -25.376 5.163 16.127 1.00 0.00 H new ATOM 0 HB3 SER A 125 -26.252 3.963 17.056 1.00 0.00 H new ATOM 0 HG SER A 125 -27.362 6.012 17.003 1.00 0.00 H new ATOM 412 N HIS A 126 -23.106 6.424 19.165 1.00 0.00 N ATOM 413 CA HIS A 126 -22.295 7.677 19.217 1.00 0.00 C ATOM 414 C HIS A 126 -20.826 7.343 19.503 1.00 0.00 C ATOM 415 O HIS A 126 -19.934 8.084 19.132 1.00 0.00 O ATOM 416 CB HIS A 126 -22.832 8.583 20.327 1.00 0.00 C ATOM 417 CG HIS A 126 -23.886 9.499 19.768 1.00 0.00 C ATOM 418 ND1 HIS A 126 -23.741 10.139 18.547 1.00 0.00 N ATOM 419 CD2 HIS A 126 -25.107 9.896 20.256 1.00 0.00 C ATOM 420 CE1 HIS A 126 -24.845 10.880 18.344 1.00 0.00 C ATOM 421 NE2 HIS A 126 -25.710 10.769 19.355 1.00 0.00 N ATOM 0 H HIS A 126 -23.134 5.892 20.035 1.00 0.00 H new ATOM 0 HA HIS A 126 -22.365 8.186 18.256 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -23.251 7.979 21.132 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -22.019 9.168 20.757 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -22.942 10.062 17.917 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -25.534 9.579 21.196 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -25.012 11.491 17.469 1.00 0.00 H new ATOM 429 N THR A 127 -20.567 6.241 20.164 1.00 0.00 N ATOM 430 CA THR A 127 -19.155 5.867 20.484 1.00 0.00 C ATOM 431 C THR A 127 -18.542 5.096 19.313 1.00 0.00 C ATOM 432 O THR A 127 -17.473 5.429 18.836 1.00 0.00 O ATOM 433 CB THR A 127 -19.127 4.992 21.743 1.00 0.00 C ATOM 434 OG1 THR A 127 -19.696 3.723 21.451 1.00 0.00 O ATOM 435 CG2 THR A 127 -19.929 5.666 22.858 1.00 0.00 C ATOM 0 H THR A 127 -21.273 5.584 20.496 1.00 0.00 H new ATOM 0 HA THR A 127 -18.577 6.774 20.658 1.00 0.00 H new ATOM 0 HB THR A 127 -18.095 4.863 22.069 1.00 0.00 H new ATOM 0 HG1 THR A 127 -19.677 3.163 22.255 1.00 0.00 H new ATOM 0 HG21 THR A 127 -19.907 5.041 23.751 1.00 0.00 H new ATOM 0 HG22 THR A 127 -19.491 6.638 23.084 1.00 0.00 H new ATOM 0 HG23 THR A 127 -20.961 5.799 22.534 1.00 0.00 H new ATOM 443 N ASN A 128 -19.208 4.068 18.848 1.00 0.00 N ATOM 444 CA ASN A 128 -18.662 3.271 17.710 1.00 0.00 C ATOM 445 C ASN A 128 -18.557 4.151 16.461 1.00 0.00 C ATOM 446 O ASN A 128 -17.758 3.894 15.580 1.00 0.00 O ATOM 447 CB ASN A 128 -19.590 2.087 17.421 1.00 0.00 C ATOM 448 CG ASN A 128 -21.010 2.595 17.166 1.00 0.00 C ATOM 449 OD1 ASN A 128 -21.868 2.490 18.020 1.00 0.00 O ATOM 450 ND2 ASN A 128 -21.295 3.147 16.019 1.00 0.00 N ATOM 0 H ASN A 128 -20.107 3.747 19.209 1.00 0.00 H new ATOM 0 HA ASN A 128 -17.671 2.903 17.975 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -19.230 1.534 16.554 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -19.587 1.396 18.264 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -22.238 3.491 15.839 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -20.575 3.235 15.302 1.00 0.00 H new ATOM 457 N GLU A 129 -19.360 5.184 16.376 1.00 0.00 N ATOM 458 CA GLU A 129 -19.312 6.077 15.180 1.00 0.00 C ATOM 459 C GLU A 129 -18.046 6.936 15.232 1.00 0.00 C ATOM 460 O GLU A 129 -18.016 7.975 15.864 1.00 0.00 O ATOM 461 CB GLU A 129 -20.544 6.983 15.168 1.00 0.00 C ATOM 462 CG GLU A 129 -21.726 6.225 14.560 1.00 0.00 C ATOM 463 CD GLU A 129 -21.598 6.215 13.036 1.00 0.00 C ATOM 464 OE1 GLU A 129 -20.751 5.493 12.537 1.00 0.00 O ATOM 465 OE2 GLU A 129 -22.350 6.929 12.393 1.00 0.00 O ATOM 0 H GLU A 129 -20.046 5.446 17.084 1.00 0.00 H new ATOM 0 HA GLU A 129 -19.300 5.469 14.275 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -20.785 7.301 16.182 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -20.340 7.885 14.591 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -21.751 5.204 14.940 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -22.664 6.697 14.853 1.00 0.00 H new ATOM 472 N LYS A 130 -17.002 6.507 14.566 1.00 0.00 N ATOM 473 CA LYS A 130 -15.734 7.293 14.566 1.00 0.00 C ATOM 474 C LYS A 130 -15.202 7.416 13.127 1.00 0.00 C ATOM 475 O LYS A 130 -15.629 6.682 12.257 1.00 0.00 O ATOM 476 CB LYS A 130 -14.693 6.589 15.439 1.00 0.00 C ATOM 477 CG LYS A 130 -14.802 7.109 16.874 1.00 0.00 C ATOM 478 CD LYS A 130 -13.581 6.657 17.677 1.00 0.00 C ATOM 479 CE LYS A 130 -13.806 6.954 19.161 1.00 0.00 C ATOM 480 NZ LYS A 130 -12.624 6.494 19.944 1.00 0.00 N ATOM 0 H LYS A 130 -16.976 5.645 14.022 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.927 8.288 14.966 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -14.853 5.511 15.417 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -13.692 6.771 15.049 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -14.867 8.197 16.873 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -15.714 6.735 17.339 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -13.411 5.590 17.531 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -12.689 7.173 17.323 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -13.961 8.023 19.310 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -14.707 6.450 19.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -12.797 6.649 20.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.466 5.481 19.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -11.783 7.031 19.651 1.00 0.00 H new ATOM 494 N PRO A 131 -14.287 8.345 12.905 1.00 0.00 N ATOM 495 CA PRO A 131 -13.707 8.568 11.567 1.00 0.00 C ATOM 496 C PRO A 131 -12.637 7.517 11.248 1.00 0.00 C ATOM 497 O PRO A 131 -12.356 7.243 10.096 1.00 0.00 O ATOM 498 CB PRO A 131 -13.080 9.962 11.672 1.00 0.00 C ATOM 499 CG PRO A 131 -12.829 10.218 13.176 1.00 0.00 C ATOM 500 CD PRO A 131 -13.748 9.255 13.948 1.00 0.00 C ATOM 0 HA PRO A 131 -14.448 8.492 10.771 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -12.148 10.012 11.109 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -13.745 10.719 11.255 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -11.784 10.042 13.429 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -13.049 11.254 13.434 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -13.196 8.704 14.710 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -14.547 9.792 14.459 1.00 0.00 H new ATOM 508 N TYR A 132 -12.038 6.930 12.256 1.00 0.00 N ATOM 509 CA TYR A 132 -10.983 5.903 12.007 1.00 0.00 C ATOM 510 C TYR A 132 -11.283 4.638 12.836 1.00 0.00 C ATOM 511 O TYR A 132 -10.641 4.402 13.842 1.00 0.00 O ATOM 512 CB TYR A 132 -9.615 6.468 12.402 1.00 0.00 C ATOM 513 CG TYR A 132 -9.384 7.780 11.690 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.213 7.802 10.301 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.338 8.973 12.420 1.00 0.00 C ATOM 516 CE1 TYR A 132 -8.999 9.018 9.641 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.123 10.189 11.761 1.00 0.00 C ATOM 518 CZ TYR A 132 -8.953 10.212 10.371 1.00 0.00 C ATOM 519 OH TYR A 132 -8.741 11.410 9.721 1.00 0.00 O ATOM 0 H TYR A 132 -12.235 7.119 13.239 1.00 0.00 H new ATOM 0 HA TYR A 132 -10.974 5.643 10.948 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.569 6.615 13.481 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.829 5.759 12.143 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.246 6.881 9.738 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.468 8.955 13.492 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -8.869 9.035 8.569 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.088 11.110 12.324 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.739 12.141 10.374 1.00 0.00 H new ATOM 529 N PRO A 133 -12.246 3.847 12.394 1.00 0.00 N ATOM 530 CA PRO A 133 -12.617 2.606 13.096 1.00 0.00 C ATOM 531 C PRO A 133 -11.599 1.501 12.793 1.00 0.00 C ATOM 532 O PRO A 133 -10.889 1.555 11.807 1.00 0.00 O ATOM 533 CB PRO A 133 -13.991 2.255 12.516 1.00 0.00 C ATOM 534 CG PRO A 133 -14.079 2.963 11.144 1.00 0.00 C ATOM 535 CD PRO A 133 -13.050 4.108 11.173 1.00 0.00 C ATOM 0 HA PRO A 133 -12.637 2.717 14.180 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.101 1.176 12.404 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.789 2.590 13.178 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -13.861 2.267 10.334 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.084 3.349 10.971 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.427 4.106 10.278 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.539 5.081 11.219 1.00 0.00 H new ATOM 543 N CYS A 134 -11.527 0.502 13.636 1.00 0.00 N ATOM 544 CA CYS A 134 -10.557 -0.610 13.407 1.00 0.00 C ATOM 545 C CYS A 134 -11.268 -1.771 12.707 1.00 0.00 C ATOM 546 O CYS A 134 -12.278 -2.263 13.175 1.00 0.00 O ATOM 547 CB CYS A 134 -10.003 -1.087 14.751 1.00 0.00 C ATOM 548 SG CYS A 134 -8.657 -2.266 14.469 1.00 0.00 S ATOM 0 H CYS A 134 -12.100 0.409 14.475 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.738 -0.255 12.781 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.640 -0.237 15.329 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.794 -1.556 15.336 1.00 0.00 H new ATOM 553 N GLY A 135 -10.745 -2.210 11.590 1.00 0.00 N ATOM 554 CA GLY A 135 -11.382 -3.341 10.851 1.00 0.00 C ATOM 555 C GLY A 135 -10.657 -4.644 11.189 1.00 0.00 C ATOM 556 O GLY A 135 -10.502 -5.512 10.352 1.00 0.00 O ATOM 0 H GLY A 135 -9.902 -1.832 11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.435 -3.418 11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.340 -3.157 9.777 1.00 0.00 H new ATOM 560 N LEU A 136 -10.211 -4.782 12.412 1.00 0.00 N ATOM 561 CA LEU A 136 -9.490 -6.027 12.816 1.00 0.00 C ATOM 562 C LEU A 136 -10.014 -6.496 14.175 1.00 0.00 C ATOM 563 O LEU A 136 -10.295 -7.664 14.373 1.00 0.00 O ATOM 564 CB LEU A 136 -7.982 -5.749 12.918 1.00 0.00 C ATOM 565 CG LEU A 136 -7.508 -4.946 11.700 1.00 0.00 C ATOM 566 CD1 LEU A 136 -6.050 -4.528 11.898 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.623 -5.807 10.440 1.00 0.00 C ATOM 0 H LEU A 136 -10.315 -4.085 13.149 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.661 -6.801 12.068 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.768 -5.196 13.833 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.435 -6.690 12.978 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.130 -4.058 11.591 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.714 -3.958 11.032 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.967 -3.912 12.793 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.429 -5.417 12.010 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.286 -5.234 9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.003 -6.697 10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.662 -6.104 10.296 1.00 0.00 H new ATOM 579 N CYS A 137 -10.148 -5.591 15.109 1.00 0.00 N ATOM 580 CA CYS A 137 -10.656 -5.966 16.464 1.00 0.00 C ATOM 581 C CYS A 137 -11.951 -5.205 16.790 1.00 0.00 C ATOM 582 O CYS A 137 -12.543 -5.404 17.828 1.00 0.00 O ATOM 583 CB CYS A 137 -9.593 -5.631 17.505 1.00 0.00 C ATOM 584 SG CYS A 137 -9.140 -3.881 17.391 1.00 0.00 S ATOM 0 H CYS A 137 -9.926 -4.602 14.992 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.871 -7.035 16.477 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.968 -5.853 18.504 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.712 -6.254 17.350 1.00 0.00 H new ATOM 589 N ASN A 138 -12.387 -4.336 15.911 1.00 0.00 N ATOM 590 CA ASN A 138 -13.644 -3.543 16.141 1.00 0.00 C ATOM 591 C ASN A 138 -13.371 -2.387 17.132 1.00 0.00 C ATOM 592 O ASN A 138 -14.288 -1.782 17.655 1.00 0.00 O ATOM 593 CB ASN A 138 -14.801 -4.492 16.599 1.00 0.00 C ATOM 594 CG ASN A 138 -15.202 -4.309 18.078 1.00 0.00 C ATOM 595 OD1 ASN A 138 -14.679 -4.970 18.953 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.124 -3.439 18.387 1.00 0.00 N ATOM 0 H ASN A 138 -11.919 -4.137 15.027 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.970 -3.081 15.209 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.674 -4.316 15.970 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.496 -5.526 16.439 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -16.403 -3.316 19.360 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.565 -2.882 17.655 1.00 0.00 H new ATOM 603 N ARG A 139 -12.122 -2.064 17.372 1.00 0.00 N ATOM 604 CA ARG A 139 -11.798 -0.945 18.304 1.00 0.00 C ATOM 605 C ARG A 139 -12.240 0.377 17.671 1.00 0.00 C ATOM 606 O ARG A 139 -12.873 0.391 16.632 1.00 0.00 O ATOM 607 CB ARG A 139 -10.288 -0.914 18.558 1.00 0.00 C ATOM 608 CG ARG A 139 -9.947 -1.822 19.744 1.00 0.00 C ATOM 609 CD ARG A 139 -9.851 -0.988 21.027 1.00 0.00 C ATOM 610 NE ARG A 139 -11.067 -1.215 21.858 1.00 0.00 N ATOM 611 CZ ARG A 139 -10.959 -1.332 23.154 1.00 0.00 C ATOM 612 NH1 ARG A 139 -10.909 -0.264 23.904 1.00 0.00 N ATOM 613 NH2 ARG A 139 -10.900 -2.516 23.700 1.00 0.00 N ATOM 0 H ARG A 139 -11.314 -2.530 16.960 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.319 -1.090 19.250 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.753 -1.245 17.668 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -9.965 0.106 18.764 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -10.711 -2.591 19.856 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.003 -2.335 19.561 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.958 -1.264 21.587 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.758 0.070 20.780 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.983 -1.279 21.415 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -10.954 0.661 23.477 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -10.825 -0.355 24.916 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -10.938 -3.350 23.114 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -10.816 -2.607 24.712 1.00 0.00 H new ATOM 627 N ALA A 140 -11.913 1.485 18.288 1.00 0.00 N ATOM 628 CA ALA A 140 -12.316 2.806 17.721 1.00 0.00 C ATOM 629 C ALA A 140 -11.240 3.852 18.030 1.00 0.00 C ATOM 630 O ALA A 140 -10.786 3.974 19.152 1.00 0.00 O ATOM 631 CB ALA A 140 -13.645 3.241 18.343 1.00 0.00 C ATOM 0 H ALA A 140 -11.385 1.531 19.159 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.430 2.716 16.641 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -13.941 4.205 17.931 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.412 2.499 18.119 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.530 3.328 19.423 1.00 0.00 H new ATOM 637 N PHE A 141 -10.836 4.607 17.039 1.00 0.00 N ATOM 638 CA PHE A 141 -9.793 5.652 17.262 1.00 0.00 C ATOM 639 C PHE A 141 -10.284 6.987 16.697 1.00 0.00 C ATOM 640 O PHE A 141 -11.093 7.023 15.787 1.00 0.00 O ATOM 641 CB PHE A 141 -8.499 5.245 16.555 1.00 0.00 C ATOM 642 CG PHE A 141 -8.028 3.915 17.094 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.267 3.866 18.267 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.351 2.732 16.418 1.00 0.00 C ATOM 645 CE1 PHE A 141 -6.829 2.633 18.767 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.913 1.500 16.918 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.152 1.451 18.092 1.00 0.00 C ATOM 0 H PHE A 141 -11.185 4.544 16.083 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.604 5.754 18.331 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.666 5.175 15.480 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.733 6.004 16.710 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.017 4.779 18.787 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -8.937 2.770 15.512 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.242 2.595 19.673 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.162 0.587 16.398 1.00 0.00 H new ATOM 0 HZ PHE A 141 -6.814 0.500 18.477 1.00 0.00 H new ATOM 657 N THR A 142 -9.804 8.081 17.231 1.00 0.00 N ATOM 658 CA THR A 142 -10.242 9.418 16.732 1.00 0.00 C ATOM 659 C THR A 142 -9.172 10.002 15.806 1.00 0.00 C ATOM 660 O THR A 142 -9.470 10.764 14.905 1.00 0.00 O ATOM 661 CB THR A 142 -10.456 10.359 17.920 1.00 0.00 C ATOM 662 OG1 THR A 142 -10.955 9.619 19.024 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.459 11.449 17.537 1.00 0.00 C ATOM 0 H THR A 142 -9.126 8.105 17.993 1.00 0.00 H new ATOM 0 HA THR A 142 -11.175 9.308 16.179 1.00 0.00 H new ATOM 0 HB THR A 142 -9.508 10.822 18.192 1.00 0.00 H new ATOM 0 HG1 THR A 142 -11.091 10.220 19.786 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.610 12.118 18.384 1.00 0.00 H new ATOM 0 HG22 THR A 142 -11.074 12.017 16.690 1.00 0.00 H new ATOM 0 HG23 THR A 142 -12.409 10.990 17.263 1.00 0.00 H new ATOM 671 N ARG A 143 -7.928 9.655 16.025 1.00 0.00 N ATOM 672 CA ARG A 143 -6.834 10.190 15.162 1.00 0.00 C ATOM 673 C ARG A 143 -6.366 9.105 14.190 1.00 0.00 C ATOM 674 O ARG A 143 -6.423 7.927 14.488 1.00 0.00 O ATOM 675 CB ARG A 143 -5.660 10.627 16.042 1.00 0.00 C ATOM 676 CG ARG A 143 -5.958 12.000 16.646 1.00 0.00 C ATOM 677 CD ARG A 143 -6.007 13.048 15.533 1.00 0.00 C ATOM 678 NE ARG A 143 -5.771 14.400 16.113 1.00 0.00 N ATOM 679 CZ ARG A 143 -5.992 15.467 15.394 1.00 0.00 C ATOM 680 NH1 ARG A 143 -7.188 15.702 14.927 1.00 0.00 N ATOM 681 NH2 ARG A 143 -5.018 16.299 15.144 1.00 0.00 N ATOM 0 H ARG A 143 -7.624 9.023 16.766 1.00 0.00 H new ATOM 0 HA ARG A 143 -7.205 11.045 14.596 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.495 9.897 16.835 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.745 10.669 15.451 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.908 11.976 17.179 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -5.191 12.263 17.374 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.252 12.828 14.778 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -6.975 13.019 15.034 1.00 0.00 H new ATOM 0 HE ARG A 143 -5.437 14.492 17.072 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -7.949 15.052 15.124 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.361 16.535 14.365 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.084 16.116 15.510 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -5.191 17.133 14.582 1.00 0.00 H new ATOM 695 N ARG A 144 -5.904 9.499 13.029 1.00 0.00 N ATOM 696 CA ARG A 144 -5.428 8.499 12.029 1.00 0.00 C ATOM 697 C ARG A 144 -4.117 7.879 12.513 1.00 0.00 C ATOM 698 O ARG A 144 -3.885 6.696 12.354 1.00 0.00 O ATOM 699 CB ARG A 144 -5.200 9.191 10.683 1.00 0.00 C ATOM 700 CG ARG A 144 -5.113 8.139 9.576 1.00 0.00 C ATOM 701 CD ARG A 144 -4.461 8.753 8.335 1.00 0.00 C ATOM 702 NE ARG A 144 -3.653 7.716 7.634 1.00 0.00 N ATOM 703 CZ ARG A 144 -3.223 7.933 6.422 1.00 0.00 C ATOM 704 NH1 ARG A 144 -2.663 9.074 6.122 1.00 0.00 N ATOM 705 NH2 ARG A 144 -3.351 7.010 5.508 1.00 0.00 N ATOM 0 H ARG A 144 -5.837 10.472 12.732 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.178 7.717 11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.015 9.885 10.476 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.282 9.778 10.715 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.532 7.283 9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.109 7.771 9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.226 9.147 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -3.826 9.592 8.622 1.00 0.00 H new ATOM 0 HE ARG A 144 -3.436 6.836 8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -2.562 9.796 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -2.327 9.243 5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -3.788 6.118 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -3.014 7.181 4.560 1.00 0.00 H new ATOM 719 N ASP A 145 -3.261 8.672 13.107 1.00 0.00 N ATOM 720 CA ASP A 145 -1.959 8.138 13.610 1.00 0.00 C ATOM 721 C ASP A 145 -2.219 7.073 14.680 1.00 0.00 C ATOM 722 O ASP A 145 -1.429 6.169 14.870 1.00 0.00 O ATOM 723 CB ASP A 145 -1.139 9.279 14.215 1.00 0.00 C ATOM 724 CG ASP A 145 -1.972 10.003 15.275 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.261 9.393 16.291 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.308 11.155 15.051 1.00 0.00 O ATOM 0 H ASP A 145 -3.408 9.669 13.266 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.407 7.692 12.782 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.225 8.887 14.661 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.838 9.978 13.434 1.00 0.00 H new ATOM 731 N LEU A 146 -3.323 7.176 15.377 1.00 0.00 N ATOM 732 CA LEU A 146 -3.644 6.176 16.436 1.00 0.00 C ATOM 733 C LEU A 146 -3.983 4.833 15.788 1.00 0.00 C ATOM 734 O LEU A 146 -3.455 3.803 16.161 1.00 0.00 O ATOM 735 CB LEU A 146 -4.850 6.661 17.241 1.00 0.00 C ATOM 736 CG LEU A 146 -4.373 7.496 18.431 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.581 8.100 19.148 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.600 6.602 19.403 1.00 0.00 C ATOM 0 H LEU A 146 -4.017 7.913 15.256 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.783 6.057 17.094 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.507 7.256 16.607 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.432 5.809 17.592 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.724 8.296 18.076 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.241 8.695 19.996 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -6.134 8.736 18.457 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.231 7.300 19.503 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.260 7.196 20.251 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.250 5.802 19.757 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.739 6.170 18.894 1.00 0.00 H new ATOM 750 N LEU A 147 -4.871 4.839 14.828 1.00 0.00 N ATOM 751 CA LEU A 147 -5.270 3.569 14.146 1.00 0.00 C ATOM 752 C LEU A 147 -4.042 2.882 13.535 1.00 0.00 C ATOM 753 O LEU A 147 -3.950 1.670 13.516 1.00 0.00 O ATOM 754 CB LEU A 147 -6.276 3.886 13.039 1.00 0.00 C ATOM 755 CG LEU A 147 -7.167 2.666 12.792 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.334 3.060 11.885 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.346 1.564 12.117 1.00 0.00 C ATOM 0 H LEU A 147 -5.341 5.676 14.484 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.720 2.900 14.879 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.886 4.743 13.323 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.751 4.157 12.123 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.554 2.301 13.743 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.968 2.191 11.710 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.919 3.845 12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.948 3.425 10.933 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.979 0.695 11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.959 1.930 11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.515 1.282 12.763 1.00 0.00 H new ATOM 769 N ILE A 148 -3.103 3.647 13.034 1.00 0.00 N ATOM 770 CA ILE A 148 -1.886 3.037 12.421 1.00 0.00 C ATOM 771 C ILE A 148 -1.059 2.341 13.507 1.00 0.00 C ATOM 772 O ILE A 148 -0.785 1.161 13.426 1.00 0.00 O ATOM 773 CB ILE A 148 -1.043 4.129 11.751 1.00 0.00 C ATOM 774 CG1 ILE A 148 -1.900 4.873 10.725 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.155 3.492 11.042 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.202 6.173 10.322 1.00 0.00 C ATOM 0 H ILE A 148 -3.128 4.667 13.024 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.187 2.305 11.671 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.687 4.827 12.509 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.060 4.247 9.847 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.882 5.090 11.145 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.752 4.270 10.567 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.767 2.958 11.769 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.200 2.793 10.284 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -1.813 6.703 9.591 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.065 6.800 11.203 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.230 5.944 9.885 1.00 0.00 H new ATOM 788 N ARG A 149 -0.660 3.069 14.519 1.00 0.00 N ATOM 789 CA ARG A 149 0.154 2.464 15.619 1.00 0.00 C ATOM 790 C ARG A 149 -0.602 1.290 16.260 1.00 0.00 C ATOM 791 O ARG A 149 -0.008 0.433 16.887 1.00 0.00 O ATOM 792 CB ARG A 149 0.434 3.531 16.682 1.00 0.00 C ATOM 793 CG ARG A 149 1.374 2.965 17.753 1.00 0.00 C ATOM 794 CD ARG A 149 0.566 2.526 18.980 1.00 0.00 C ATOM 795 NE ARG A 149 1.199 3.076 20.211 1.00 0.00 N ATOM 796 CZ ARG A 149 0.923 4.291 20.601 1.00 0.00 C ATOM 797 NH1 ARG A 149 -0.276 4.584 21.027 1.00 0.00 N ATOM 798 NH2 ARG A 149 1.845 5.213 20.564 1.00 0.00 N ATOM 0 H ARG A 149 -0.864 4.062 14.632 1.00 0.00 H new ATOM 0 HA ARG A 149 1.092 2.094 15.206 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.883 4.410 16.219 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.501 3.855 17.140 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.929 2.118 17.351 1.00 0.00 H new ATOM 0 HG3 ARG A 149 2.107 3.719 18.041 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.462 2.879 18.898 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.526 1.438 19.033 1.00 0.00 H new ATOM 0 HE ARG A 149 1.849 2.503 20.750 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -0.997 3.863 21.055 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -0.491 5.533 21.332 1.00 0.00 H new ATOM 0 HH21 ARG A 149 2.781 4.985 20.230 1.00 0.00 H new ATOM 0 HH22 ARG A 149 1.629 6.162 20.869 1.00 0.00 H new ATOM 812 N HIS A 150 -1.903 1.245 16.107 1.00 0.00 N ATOM 813 CA HIS A 150 -2.697 0.132 16.706 1.00 0.00 C ATOM 814 C HIS A 150 -2.482 -1.140 15.872 1.00 0.00 C ATOM 815 O HIS A 150 -2.342 -2.224 16.406 1.00 0.00 O ATOM 816 CB HIS A 150 -4.185 0.535 16.711 1.00 0.00 C ATOM 817 CG HIS A 150 -5.058 -0.632 17.103 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.946 -1.262 18.333 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.055 -1.294 16.432 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.852 -2.256 18.362 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.555 -2.319 17.228 1.00 0.00 N ATOM 0 H HIS A 150 -2.449 1.935 15.591 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.378 -0.063 17.730 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.340 1.360 17.406 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.472 0.893 15.722 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -4.296 -1.017 19.079 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.399 -1.055 15.437 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.994 -2.922 19.200 1.00 0.00 H new ATOM 829 N ALA A 151 -2.463 -1.014 14.570 1.00 0.00 N ATOM 830 CA ALA A 151 -2.268 -2.211 13.701 1.00 0.00 C ATOM 831 C ALA A 151 -0.775 -2.548 13.573 1.00 0.00 C ATOM 832 O ALA A 151 -0.419 -3.617 13.116 1.00 0.00 O ATOM 833 CB ALA A 151 -2.846 -1.931 12.313 1.00 0.00 C ATOM 0 H ALA A 151 -2.574 -0.131 14.071 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.781 -3.059 14.153 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.704 -2.805 11.677 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -3.911 -1.714 12.399 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.336 -1.075 11.872 1.00 0.00 H new ATOM 839 N GLN A 152 0.101 -1.651 13.965 1.00 0.00 N ATOM 840 CA GLN A 152 1.565 -1.930 13.854 1.00 0.00 C ATOM 841 C GLN A 152 2.083 -2.600 15.134 1.00 0.00 C ATOM 842 O GLN A 152 3.166 -3.155 15.149 1.00 0.00 O ATOM 843 CB GLN A 152 2.322 -0.614 13.637 1.00 0.00 C ATOM 844 CG GLN A 152 1.696 0.174 12.474 1.00 0.00 C ATOM 845 CD GLN A 152 2.729 0.369 11.360 1.00 0.00 C ATOM 846 OE1 GLN A 152 2.766 -0.388 10.410 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.575 1.360 11.438 1.00 0.00 N ATOM 0 H GLN A 152 -0.137 -0.740 14.356 1.00 0.00 H new ATOM 0 HA GLN A 152 1.729 -2.600 13.010 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.294 -0.016 14.548 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.371 -0.820 13.423 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.828 -0.360 12.087 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.343 1.143 12.828 1.00 0.00 H new ATOM 0 HE21 GLN A 152 3.544 1.995 12.235 1.00 0.00 H new ATOM 0 HE22 GLN A 152 4.267 1.499 10.702 1.00 0.00 H new ATOM 856 N LYS A 153 1.333 -2.545 16.213 1.00 0.00 N ATOM 857 CA LYS A 153 1.805 -3.168 17.486 1.00 0.00 C ATOM 858 C LYS A 153 0.963 -4.407 17.814 1.00 0.00 C ATOM 859 O LYS A 153 1.464 -5.375 18.356 1.00 0.00 O ATOM 860 CB LYS A 153 1.676 -2.150 18.624 1.00 0.00 C ATOM 861 CG LYS A 153 3.026 -1.472 18.861 1.00 0.00 C ATOM 862 CD LYS A 153 3.186 -1.155 20.350 1.00 0.00 C ATOM 863 CE LYS A 153 2.367 0.088 20.699 1.00 0.00 C ATOM 864 NZ LYS A 153 1.026 -0.325 21.202 1.00 0.00 N ATOM 0 H LYS A 153 0.418 -2.096 16.263 1.00 0.00 H new ATOM 0 HA LYS A 153 2.847 -3.468 17.371 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.922 -1.404 18.374 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.343 -2.648 19.535 1.00 0.00 H new ATOM 0 HG2 LYS A 153 3.835 -2.123 18.528 1.00 0.00 H new ATOM 0 HG3 LYS A 153 3.092 -0.556 18.274 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.854 -2.002 20.950 1.00 0.00 H new ATOM 0 HD3 LYS A 153 4.237 -0.989 20.586 1.00 0.00 H new ATOM 0 HE2 LYS A 153 2.885 0.677 21.455 1.00 0.00 H new ATOM 0 HE3 LYS A 153 2.258 0.723 19.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 0.596 0.461 21.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 0.416 -0.576 20.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 1.129 -1.149 21.829 1.00 0.00 H new ATOM 878 N ILE A 154 -0.308 -4.377 17.507 1.00 0.00 N ATOM 879 CA ILE A 154 -1.183 -5.546 17.819 1.00 0.00 C ATOM 880 C ILE A 154 -1.503 -6.322 16.533 1.00 0.00 C ATOM 881 O ILE A 154 -1.784 -7.505 16.575 1.00 0.00 O ATOM 882 CB ILE A 154 -2.479 -5.043 18.475 1.00 0.00 C ATOM 883 CG1 ILE A 154 -2.133 -4.313 19.777 1.00 0.00 C ATOM 884 CG2 ILE A 154 -3.399 -6.226 18.797 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.714 -2.873 19.469 1.00 0.00 C ATOM 0 H ILE A 154 -0.778 -3.593 17.054 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.667 -6.217 18.506 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.988 -4.367 17.788 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.994 -4.316 20.446 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -1.326 -4.834 20.293 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -4.314 -5.859 19.261 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -3.646 -6.756 17.877 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.892 -6.905 19.482 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.469 -2.359 20.398 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.841 -2.880 18.817 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.534 -2.354 18.972 1.00 0.00 H new ATOM 897 N HIS A 155 -1.463 -5.672 15.396 1.00 0.00 N ATOM 898 CA HIS A 155 -1.765 -6.385 14.116 1.00 0.00 C ATOM 899 C HIS A 155 -0.532 -6.396 13.198 1.00 0.00 C ATOM 900 O HIS A 155 -0.613 -6.827 12.065 1.00 0.00 O ATOM 901 CB HIS A 155 -2.923 -5.685 13.399 1.00 0.00 C ATOM 902 CG HIS A 155 -4.093 -5.547 14.338 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.605 -6.625 15.042 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.860 -4.466 14.696 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.635 -6.174 15.781 1.00 0.00 C ATOM 906 NE2 HIS A 155 -5.834 -4.865 15.606 1.00 0.00 N ATOM 0 H HIS A 155 -1.235 -4.683 15.299 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.040 -7.414 14.349 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.606 -4.702 13.050 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.217 -6.256 12.518 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -4.263 -7.585 15.007 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.728 -3.459 14.327 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.228 -6.795 16.436 1.00 0.00 H new ATOM 914 N SER A 156 0.604 -5.934 13.673 1.00 0.00 N ATOM 915 CA SER A 156 1.838 -5.921 12.827 1.00 0.00 C ATOM 916 C SER A 156 1.620 -5.035 11.593 1.00 0.00 C ATOM 917 O SER A 156 0.505 -4.826 11.155 1.00 0.00 O ATOM 918 CB SER A 156 2.190 -7.358 12.402 1.00 0.00 C ATOM 919 OG SER A 156 1.522 -7.691 11.188 1.00 0.00 O ATOM 0 H SER A 156 0.727 -5.564 14.616 1.00 0.00 H new ATOM 0 HA SER A 156 2.667 -5.511 13.405 1.00 0.00 H new ATOM 0 HB2 SER A 156 3.268 -7.452 12.270 1.00 0.00 H new ATOM 0 HB3 SER A 156 1.903 -8.058 13.187 1.00 0.00 H new ATOM 0 HG SER A 156 0.553 -7.683 11.335 1.00 0.00 H new ATOM 925 N GLY A 157 2.683 -4.514 11.034 1.00 0.00 N ATOM 926 CA GLY A 157 2.550 -3.639 9.831 1.00 0.00 C ATOM 927 C GLY A 157 3.718 -3.898 8.879 1.00 0.00 C ATOM 928 O GLY A 157 4.744 -3.249 8.951 1.00 0.00 O ATOM 0 H GLY A 157 3.639 -4.658 11.360 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.605 -3.838 9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 157 2.537 -2.591 10.130 1.00 0.00 H new ATOM 932 N ASN A 158 3.568 -4.844 7.984 1.00 0.00 N ATOM 933 CA ASN A 158 4.665 -5.157 7.017 1.00 0.00 C ATOM 934 C ASN A 158 5.923 -5.581 7.782 1.00 0.00 C ATOM 935 O ASN A 158 5.874 -5.850 8.968 1.00 0.00 O ATOM 936 CB ASN A 158 4.974 -3.919 6.170 1.00 0.00 C ATOM 937 CG ASN A 158 3.687 -3.411 5.518 1.00 0.00 C ATOM 938 OD1 ASN A 158 2.850 -2.825 6.175 1.00 0.00 O ATOM 939 ND2 ASN A 158 3.492 -3.612 4.244 1.00 0.00 N ATOM 0 H ASN A 158 2.729 -5.415 7.882 1.00 0.00 H new ATOM 0 HA ASN A 158 4.347 -5.971 6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 158 5.411 -3.139 6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 158 5.710 -4.164 5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 158 2.637 -3.277 3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 158 4.195 -4.104 3.692 1.00 0.00 H new ATOM 946 N LEU A 159 7.044 -5.643 7.111 1.00 0.00 N ATOM 947 CA LEU A 159 8.309 -6.049 7.791 1.00 0.00 C ATOM 948 C LEU A 159 8.702 -4.984 8.817 1.00 0.00 C ATOM 949 O LEU A 159 8.967 -3.848 8.472 1.00 0.00 O ATOM 950 CB LEU A 159 9.423 -6.193 6.752 1.00 0.00 C ATOM 951 CG LEU A 159 10.489 -7.157 7.276 1.00 0.00 C ATOM 952 CD1 LEU A 159 10.008 -8.598 7.091 1.00 0.00 C ATOM 953 CD2 LEU A 159 11.789 -6.950 6.496 1.00 0.00 C ATOM 0 H LEU A 159 7.137 -5.429 6.118 1.00 0.00 H new ATOM 0 HA LEU A 159 8.159 -7.003 8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 159 9.013 -6.564 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 159 9.868 -5.220 6.544 1.00 0.00 H new ATOM 0 HG LEU A 159 10.665 -6.965 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 159 10.767 -9.286 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 159 9.081 -8.746 7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 159 9.833 -8.790 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 159 12.550 -7.636 6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 159 11.613 -7.143 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 159 12.132 -5.923 6.626 1.00 0.00 H new ATOM 965 N GLY A 160 8.742 -5.345 10.075 1.00 0.00 N ATOM 966 CA GLY A 160 9.118 -4.360 11.131 1.00 0.00 C ATOM 967 C GLY A 160 9.608 -5.105 12.374 1.00 0.00 C ATOM 968 O GLY A 160 10.503 -5.928 12.303 1.00 0.00 O ATOM 0 H GLY A 160 8.530 -6.283 10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 160 9.899 -3.695 10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 160 8.261 -3.736 11.383 1.00 0.00 H new ATOM 972 N GLU A 161 9.028 -4.821 13.513 1.00 0.00 N ATOM 973 CA GLU A 161 9.453 -5.506 14.768 1.00 0.00 C ATOM 974 C GLU A 161 8.315 -5.451 15.790 1.00 0.00 C ATOM 975 O GLU A 161 7.629 -4.442 15.828 1.00 0.00 O ATOM 976 CB GLU A 161 10.687 -4.806 15.341 1.00 0.00 C ATOM 977 CG GLU A 161 11.940 -5.315 14.627 1.00 0.00 C ATOM 978 CD GLU A 161 13.182 -4.908 15.421 1.00 0.00 C ATOM 979 OE1 GLU A 161 13.315 -3.729 15.711 1.00 0.00 O ATOM 980 OE2 GLU A 161 13.978 -5.779 15.728 1.00 0.00 O ATOM 981 OXT GLU A 161 8.149 -6.416 16.517 1.00 0.00 O ATOM 0 H GLU A 161 8.276 -4.141 13.626 1.00 0.00 H new ATOM 0 HA GLU A 161 9.695 -6.546 14.549 1.00 0.00 H new ATOM 0 HB2 GLU A 161 10.597 -3.727 15.216 1.00 0.00 H new ATOM 0 HB3 GLU A 161 10.762 -4.997 16.411 1.00 0.00 H new ATOM 0 HG2 GLU A 161 11.899 -6.400 14.527 1.00 0.00 H new ATOM 0 HG3 GLU A 161 11.989 -4.904 13.619 1.00 0.00 H new TER 988 GLU A 161 HETATM 989 ZN ZN A 162 -7.420 -3.634 15.927 1.00 0.00 ZN HETATM 990 ZN ZN A 163 -26.494 12.276 20.478 1.00 0.00 ZN