USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=8 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 152 GLN : amide:sc= -1.42 K(o=-2.8,f=-5.9!) USER MOD Set 1.2: A 158 ASN : amide:sc= -1.38 K(o=-2.8,f=-5.4!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 0:sc= 0.402 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 118 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.11) 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 -52:sc= 1.2 USER MOD Single : A 128 ASN : amide:sc= -1 K(o=-1,f=-7.5!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.00217 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot 180:sc= -0.0305 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 102 -33.933 27.833 21.044 1.00 0.00 N ATOM 2 CA ARG A 102 -35.241 27.485 21.673 1.00 0.00 C ATOM 3 C ARG A 102 -35.543 26.002 21.445 1.00 0.00 C ATOM 4 O ARG A 102 -36.199 25.366 22.249 1.00 0.00 O ATOM 5 CB ARG A 102 -36.350 28.333 21.047 1.00 0.00 C ATOM 6 CG ARG A 102 -37.519 28.446 22.028 1.00 0.00 C ATOM 7 CD ARG A 102 -38.478 29.542 21.558 1.00 0.00 C ATOM 8 NE ARG A 102 -39.186 30.120 22.734 1.00 0.00 N ATOM 9 CZ ARG A 102 -40.486 30.038 22.818 1.00 0.00 C ATOM 10 NH1 ARG A 102 -41.227 30.355 21.792 1.00 0.00 N ATOM 11 NH2 ARG A 102 -41.044 29.641 23.928 1.00 0.00 N ATOM 0 HA ARG A 102 -35.191 27.683 22.744 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -35.970 29.325 20.801 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -36.686 27.880 20.114 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -38.044 27.493 22.095 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -37.148 28.677 23.027 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -37.927 30.322 21.033 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -39.199 29.131 20.852 1.00 0.00 H new ATOM 0 HE ARG A 102 -38.655 30.580 23.474 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -40.790 30.667 20.924 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -42.243 30.291 21.857 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -40.465 29.395 24.730 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -42.060 29.577 23.994 1.00 0.00 H new ATOM 25 N SER A 103 -35.070 25.450 20.357 1.00 0.00 N ATOM 26 CA SER A 103 -35.327 24.007 20.073 1.00 0.00 C ATOM 27 C SER A 103 -34.020 23.224 20.168 1.00 0.00 C ATOM 28 O SER A 103 -32.950 23.754 19.933 1.00 0.00 O ATOM 29 CB SER A 103 -35.915 23.850 18.667 1.00 0.00 C ATOM 30 OG SER A 103 -36.551 25.063 18.281 1.00 0.00 O ATOM 0 H SER A 103 -34.516 25.937 19.653 1.00 0.00 H new ATOM 0 HA SER A 103 -36.036 23.621 20.805 1.00 0.00 H new ATOM 0 HB2 SER A 103 -35.127 23.598 17.958 1.00 0.00 H new ATOM 0 HB3 SER A 103 -36.632 23.029 18.651 1.00 0.00 H new ATOM 0 HG SER A 103 -36.926 24.964 17.381 1.00 0.00 H new ATOM 36 N PHE A 104 -34.104 21.963 20.509 1.00 0.00 N ATOM 37 CA PHE A 104 -32.872 21.133 20.619 1.00 0.00 C ATOM 38 C PHE A 104 -32.578 20.500 19.259 1.00 0.00 C ATOM 39 O PHE A 104 -33.210 19.543 18.855 1.00 0.00 O ATOM 40 CB PHE A 104 -33.084 20.037 21.666 1.00 0.00 C ATOM 41 CG PHE A 104 -33.387 20.671 23.002 1.00 0.00 C ATOM 42 CD1 PHE A 104 -32.425 21.467 23.634 1.00 0.00 C ATOM 43 CD2 PHE A 104 -34.630 20.462 23.610 1.00 0.00 C ATOM 44 CE1 PHE A 104 -32.706 22.056 24.873 1.00 0.00 C ATOM 45 CE2 PHE A 104 -34.912 21.050 24.848 1.00 0.00 C ATOM 46 CZ PHE A 104 -33.950 21.847 25.480 1.00 0.00 C ATOM 0 H PHE A 104 -34.975 21.474 20.716 1.00 0.00 H new ATOM 0 HA PHE A 104 -32.031 21.756 20.923 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -33.905 19.386 21.366 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -32.193 19.413 21.741 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -31.465 21.627 23.166 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -35.372 19.846 23.123 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -31.964 22.671 25.360 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -35.872 20.889 25.316 1.00 0.00 H new ATOM 0 HZ PHE A 104 -34.168 22.301 26.436 1.00 0.00 H new ATOM 56 N VAL A 105 -31.624 21.042 18.551 1.00 0.00 N ATOM 57 CA VAL A 105 -31.270 20.497 17.205 1.00 0.00 C ATOM 58 C VAL A 105 -29.870 19.872 17.281 1.00 0.00 C ATOM 59 O VAL A 105 -28.958 20.430 17.863 1.00 0.00 O ATOM 60 CB VAL A 105 -31.341 21.633 16.137 1.00 0.00 C ATOM 61 CG1 VAL A 105 -30.858 22.963 16.726 1.00 0.00 C ATOM 62 CG2 VAL A 105 -30.488 21.298 14.898 1.00 0.00 C ATOM 0 H VAL A 105 -31.070 21.845 18.848 1.00 0.00 H new ATOM 0 HA VAL A 105 -31.979 19.725 16.906 1.00 0.00 H new ATOM 0 HB VAL A 105 -32.385 21.721 15.835 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -30.916 23.741 15.964 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -31.488 23.236 17.572 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -29.826 22.859 17.061 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -30.561 22.111 14.175 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -29.447 21.170 15.196 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -30.851 20.376 14.445 1.00 0.00 H new ATOM 72 N CYS A 106 -29.708 18.716 16.692 1.00 0.00 N ATOM 73 CA CYS A 106 -28.382 18.035 16.715 1.00 0.00 C ATOM 74 C CYS A 106 -27.383 18.839 15.882 1.00 0.00 C ATOM 75 O CYS A 106 -27.715 19.363 14.836 1.00 0.00 O ATOM 76 CB CYS A 106 -28.523 16.628 16.127 1.00 0.00 C ATOM 77 SG CYS A 106 -26.973 15.720 16.350 1.00 0.00 S ATOM 0 H CYS A 106 -30.442 18.213 16.194 1.00 0.00 H new ATOM 0 HA CYS A 106 -28.025 17.966 17.742 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -29.340 16.098 16.616 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -28.772 16.689 15.067 1.00 0.00 H new ATOM 82 N GLU A 107 -26.161 18.938 16.340 1.00 0.00 N ATOM 83 CA GLU A 107 -25.128 19.707 15.582 1.00 0.00 C ATOM 84 C GLU A 107 -24.374 18.779 14.618 1.00 0.00 C ATOM 85 O GLU A 107 -23.267 19.079 14.210 1.00 0.00 O ATOM 86 CB GLU A 107 -24.135 20.329 16.565 1.00 0.00 C ATOM 87 CG GLU A 107 -24.893 21.173 17.591 1.00 0.00 C ATOM 88 CD GLU A 107 -23.928 22.156 18.256 1.00 0.00 C ATOM 89 OE1 GLU A 107 -22.889 21.714 18.720 1.00 0.00 O ATOM 90 OE2 GLU A 107 -24.244 23.333 18.291 1.00 0.00 O ATOM 0 H GLU A 107 -25.833 18.518 17.210 1.00 0.00 H new ATOM 0 HA GLU A 107 -25.622 20.491 15.007 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -23.568 19.547 17.070 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -23.416 20.948 16.029 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -25.703 21.716 17.104 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -25.348 20.528 18.343 1.00 0.00 H new ATOM 97 N VAL A 108 -24.955 17.661 14.250 1.00 0.00 N ATOM 98 CA VAL A 108 -24.260 16.727 13.315 1.00 0.00 C ATOM 99 C VAL A 108 -25.080 16.582 12.034 1.00 0.00 C ATOM 100 O VAL A 108 -24.558 16.691 10.940 1.00 0.00 O ATOM 101 CB VAL A 108 -24.103 15.358 13.983 1.00 0.00 C ATOM 102 CG1 VAL A 108 -23.239 14.454 13.102 1.00 0.00 C ATOM 103 CG2 VAL A 108 -23.429 15.530 15.347 1.00 0.00 C ATOM 0 H VAL A 108 -25.879 17.358 14.558 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.275 17.125 13.070 1.00 0.00 H new ATOM 0 HB VAL A 108 -25.086 14.906 14.115 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -23.128 13.480 13.579 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -23.716 14.330 12.130 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -22.257 14.907 12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -23.317 14.556 15.823 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -22.447 15.983 15.213 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -24.043 16.173 15.978 1.00 0.00 H new ATOM 113 N CYS A 109 -26.360 16.342 12.162 1.00 0.00 N ATOM 114 CA CYS A 109 -27.220 16.193 10.951 1.00 0.00 C ATOM 115 C CYS A 109 -28.191 17.377 10.835 1.00 0.00 C ATOM 116 O CYS A 109 -29.091 17.363 10.018 1.00 0.00 O ATOM 117 CB CYS A 109 -28.009 14.883 11.033 1.00 0.00 C ATOM 118 SG CYS A 109 -28.951 14.829 12.578 1.00 0.00 S ATOM 0 H CYS A 109 -26.846 16.243 13.053 1.00 0.00 H new ATOM 0 HA CYS A 109 -26.581 16.176 10.068 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -28.685 14.801 10.182 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -27.328 14.034 10.982 1.00 0.00 H new ATOM 123 N THR A 110 -28.013 18.409 11.636 1.00 0.00 N ATOM 124 CA THR A 110 -28.918 19.607 11.568 1.00 0.00 C ATOM 125 C THR A 110 -30.395 19.177 11.590 1.00 0.00 C ATOM 126 O THR A 110 -31.184 19.589 10.759 1.00 0.00 O ATOM 127 CB THR A 110 -28.630 20.404 10.286 1.00 0.00 C ATOM 128 OG1 THR A 110 -29.097 19.678 9.158 1.00 0.00 O ATOM 129 CG2 THR A 110 -27.125 20.646 10.153 1.00 0.00 C ATOM 0 H THR A 110 -27.275 18.471 12.337 1.00 0.00 H new ATOM 0 HA THR A 110 -28.726 20.234 12.439 1.00 0.00 H new ATOM 0 HB THR A 110 -29.145 21.364 10.338 1.00 0.00 H new ATOM 0 HG1 THR A 110 -29.498 18.835 9.455 1.00 0.00 H new ATOM 0 HG21 THR A 110 -26.926 21.211 9.242 1.00 0.00 H new ATOM 0 HG22 THR A 110 -26.770 21.210 11.015 1.00 0.00 H new ATOM 0 HG23 THR A 110 -26.605 19.689 10.106 1.00 0.00 H new ATOM 137 N ARG A 111 -30.769 18.355 12.537 1.00 0.00 N ATOM 138 CA ARG A 111 -32.189 17.898 12.620 1.00 0.00 C ATOM 139 C ARG A 111 -32.978 18.870 13.502 1.00 0.00 C ATOM 140 O ARG A 111 -32.566 19.995 13.710 1.00 0.00 O ATOM 141 CB ARG A 111 -32.238 16.489 13.222 1.00 0.00 C ATOM 142 CG ARG A 111 -33.281 15.650 12.482 1.00 0.00 C ATOM 143 CD ARG A 111 -33.949 14.681 13.460 1.00 0.00 C ATOM 144 NE ARG A 111 -34.847 13.755 12.711 1.00 0.00 N ATOM 145 CZ ARG A 111 -35.876 14.226 12.059 1.00 0.00 C ATOM 146 NH1 ARG A 111 -36.745 14.982 12.671 1.00 0.00 N ATOM 147 NH2 ARG A 111 -36.033 13.941 10.796 1.00 0.00 N ATOM 0 H ARG A 111 -30.152 17.980 13.257 1.00 0.00 H new ATOM 0 HA ARG A 111 -32.629 17.875 11.623 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -31.258 16.017 13.148 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -32.486 16.544 14.282 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -34.030 16.300 12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -32.808 15.096 11.671 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -33.191 14.112 13.999 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -34.521 15.236 14.204 1.00 0.00 H new ATOM 0 HE ARG A 111 -34.657 12.753 12.708 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -36.621 15.205 13.658 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -37.549 15.350 12.162 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -35.352 13.351 10.318 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -36.836 14.309 10.286 1.00 0.00 H new ATOM 161 N ALA A 112 -34.106 18.451 14.020 1.00 0.00 N ATOM 162 CA ALA A 112 -34.912 19.359 14.888 1.00 0.00 C ATOM 163 C ALA A 112 -35.701 18.538 15.909 1.00 0.00 C ATOM 164 O ALA A 112 -36.452 17.648 15.557 1.00 0.00 O ATOM 165 CB ALA A 112 -35.883 20.164 14.021 1.00 0.00 C ATOM 0 H ALA A 112 -34.501 17.521 13.879 1.00 0.00 H new ATOM 0 HA ALA A 112 -34.242 20.038 15.415 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -36.472 20.827 14.654 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -35.321 20.756 13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -36.549 19.482 13.491 1.00 0.00 H new ATOM 171 N PHE A 113 -35.542 18.842 17.172 1.00 0.00 N ATOM 172 CA PHE A 113 -36.286 18.097 18.229 1.00 0.00 C ATOM 173 C PHE A 113 -36.997 19.098 19.141 1.00 0.00 C ATOM 174 O PHE A 113 -37.041 20.282 18.861 1.00 0.00 O ATOM 175 CB PHE A 113 -35.308 17.262 19.060 1.00 0.00 C ATOM 176 CG PHE A 113 -34.584 16.285 18.166 1.00 0.00 C ATOM 177 CD1 PHE A 113 -33.435 16.687 17.475 1.00 0.00 C ATOM 178 CD2 PHE A 113 -35.060 14.975 18.032 1.00 0.00 C ATOM 179 CE1 PHE A 113 -32.762 15.778 16.648 1.00 0.00 C ATOM 180 CE2 PHE A 113 -34.387 14.067 17.206 1.00 0.00 C ATOM 181 CZ PHE A 113 -33.238 14.469 16.514 1.00 0.00 C ATOM 0 H PHE A 113 -34.926 19.578 17.517 1.00 0.00 H new ATOM 0 HA PHE A 113 -37.016 17.436 17.762 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -34.591 17.914 19.558 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -35.846 16.725 19.841 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -33.067 17.697 17.579 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -35.946 14.665 18.566 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -31.876 16.088 16.114 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -34.754 13.057 17.102 1.00 0.00 H new ATOM 0 HZ PHE A 113 -32.719 13.768 15.877 1.00 0.00 H new ATOM 191 N ALA A 114 -37.551 18.630 20.229 1.00 0.00 N ATOM 192 CA ALA A 114 -38.261 19.549 21.167 1.00 0.00 C ATOM 193 C ALA A 114 -37.755 19.324 22.595 1.00 0.00 C ATOM 194 O ALA A 114 -37.566 20.262 23.347 1.00 0.00 O ATOM 195 CB ALA A 114 -39.764 19.275 21.107 1.00 0.00 C ATOM 0 H ALA A 114 -37.542 17.649 20.509 1.00 0.00 H new ATOM 0 HA ALA A 114 -38.067 20.582 20.877 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -40.284 19.945 21.792 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -40.124 19.442 20.092 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -39.957 18.242 21.395 1.00 0.00 H new ATOM 201 N ARG A 115 -37.532 18.088 22.973 1.00 0.00 N ATOM 202 CA ARG A 115 -37.037 17.801 24.351 1.00 0.00 C ATOM 203 C ARG A 115 -35.575 17.356 24.288 1.00 0.00 C ATOM 204 O ARG A 115 -35.175 16.637 23.391 1.00 0.00 O ATOM 205 CB ARG A 115 -37.878 16.685 24.976 1.00 0.00 C ATOM 206 CG ARG A 115 -39.201 17.264 25.482 1.00 0.00 C ATOM 207 CD ARG A 115 -40.134 17.521 24.298 1.00 0.00 C ATOM 208 NE ARG A 115 -41.498 17.844 24.802 1.00 0.00 N ATOM 209 CZ ARG A 115 -41.706 18.953 25.459 1.00 0.00 C ATOM 210 NH1 ARG A 115 -41.304 19.063 26.695 1.00 0.00 N ATOM 211 NH2 ARG A 115 -42.315 19.950 24.879 1.00 0.00 N ATOM 0 H ARG A 115 -37.672 17.267 22.384 1.00 0.00 H new ATOM 0 HA ARG A 115 -37.118 18.703 24.957 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -38.069 15.904 24.240 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -37.333 16.222 25.799 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -39.668 16.572 26.183 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -39.020 18.192 26.024 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -39.754 18.344 23.693 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -40.171 16.643 23.653 1.00 0.00 H new ATOM 0 HE ARG A 115 -42.270 17.199 24.634 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -40.827 18.283 27.148 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -41.466 19.929 27.209 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -42.629 19.863 23.912 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -42.478 20.816 25.392 1.00 0.00 H new ATOM 225 N GLN A 116 -34.777 17.778 25.235 1.00 0.00 N ATOM 226 CA GLN A 116 -33.338 17.383 25.243 1.00 0.00 C ATOM 227 C GLN A 116 -33.210 15.901 25.608 1.00 0.00 C ATOM 228 O GLN A 116 -32.241 15.255 25.260 1.00 0.00 O ATOM 229 CB GLN A 116 -32.583 18.228 26.272 1.00 0.00 C ATOM 230 CG GLN A 116 -31.081 17.979 26.134 1.00 0.00 C ATOM 231 CD GLN A 116 -30.316 18.956 27.029 1.00 0.00 C ATOM 232 OE1 GLN A 116 -30.834 19.419 28.025 1.00 0.00 O ATOM 233 NE2 GLN A 116 -29.094 19.289 26.714 1.00 0.00 N ATOM 0 H GLN A 116 -35.062 18.382 26.006 1.00 0.00 H new ATOM 0 HA GLN A 116 -32.914 17.548 24.253 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -32.802 19.285 26.121 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -32.913 17.974 27.279 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -30.845 16.952 26.414 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -30.775 18.105 25.095 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -28.659 18.900 25.877 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -28.574 19.938 27.304 1.00 0.00 H new ATOM 242 N GLU A 117 -34.178 15.358 26.305 1.00 0.00 N ATOM 243 CA GLU A 117 -34.114 13.918 26.692 1.00 0.00 C ATOM 244 C GLU A 117 -34.193 13.048 25.436 1.00 0.00 C ATOM 245 O GLU A 117 -33.388 12.158 25.236 1.00 0.00 O ATOM 246 CB GLU A 117 -35.287 13.583 27.616 1.00 0.00 C ATOM 247 CG GLU A 117 -35.317 14.567 28.787 1.00 0.00 C ATOM 248 CD GLU A 117 -35.977 13.904 29.997 1.00 0.00 C ATOM 249 OE1 GLU A 117 -37.170 13.660 29.935 1.00 0.00 O ATOM 250 OE2 GLU A 117 -35.278 13.651 30.964 1.00 0.00 O ATOM 0 H GLU A 117 -35.011 15.853 26.623 1.00 0.00 H new ATOM 0 HA GLU A 117 -33.175 13.725 27.211 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -36.225 13.633 27.062 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -35.190 12.563 27.988 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -34.304 14.880 29.039 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -35.867 15.465 28.507 1.00 0.00 H new ATOM 257 N HIS A 118 -35.163 13.298 24.593 1.00 0.00 N ATOM 258 CA HIS A 118 -35.306 12.488 23.347 1.00 0.00 C ATOM 259 C HIS A 118 -34.083 12.696 22.451 1.00 0.00 C ATOM 260 O HIS A 118 -33.622 11.782 21.795 1.00 0.00 O ATOM 261 CB HIS A 118 -36.566 12.927 22.597 1.00 0.00 C ATOM 262 CG HIS A 118 -37.765 12.225 23.176 1.00 0.00 C ATOM 263 ND1 HIS A 118 -39.036 12.774 23.129 1.00 0.00 N ATOM 264 CD2 HIS A 118 -37.900 11.018 23.815 1.00 0.00 C ATOM 265 CE1 HIS A 118 -39.874 11.907 23.725 1.00 0.00 C ATOM 266 NE2 HIS A 118 -39.233 10.819 24.161 1.00 0.00 N ATOM 0 H HIS A 118 -35.863 14.030 24.715 1.00 0.00 H new ATOM 0 HA HIS A 118 -35.384 11.433 23.610 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -36.691 14.007 22.675 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -36.471 12.693 21.537 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -37.095 10.328 24.018 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -40.936 12.070 23.837 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -39.634 10.015 24.644 1.00 0.00 H new ATOM 274 N LEU A 119 -33.557 13.895 22.419 1.00 0.00 N ATOM 275 CA LEU A 119 -32.368 14.177 21.570 1.00 0.00 C ATOM 276 C LEU A 119 -31.157 13.413 22.111 1.00 0.00 C ATOM 277 O LEU A 119 -30.262 13.049 21.373 1.00 0.00 O ATOM 278 CB LEU A 119 -32.077 15.678 21.601 1.00 0.00 C ATOM 279 CG LEU A 119 -31.478 16.113 20.264 1.00 0.00 C ATOM 280 CD1 LEU A 119 -31.293 17.629 20.261 1.00 0.00 C ATOM 281 CD2 LEU A 119 -30.123 15.439 20.072 1.00 0.00 C ATOM 0 H LEU A 119 -33.906 14.693 22.950 1.00 0.00 H new ATOM 0 HA LEU A 119 -32.566 13.859 20.546 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -32.995 16.232 21.797 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -31.386 15.908 22.412 1.00 0.00 H new ATOM 0 HG LEU A 119 -32.148 15.824 19.454 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -30.866 17.942 19.308 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -32.259 18.114 20.402 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -30.622 17.915 21.071 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -29.695 15.748 19.119 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -29.454 15.730 20.882 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -30.251 14.357 20.078 1.00 0.00 H new ATOM 293 N LYS A 120 -31.120 13.167 23.399 1.00 0.00 N ATOM 294 CA LYS A 120 -29.964 12.430 24.003 1.00 0.00 C ATOM 295 C LYS A 120 -29.743 11.101 23.265 1.00 0.00 C ATOM 296 O LYS A 120 -28.632 10.765 22.896 1.00 0.00 O ATOM 297 CB LYS A 120 -30.257 12.156 25.485 1.00 0.00 C ATOM 298 CG LYS A 120 -29.052 12.563 26.340 1.00 0.00 C ATOM 299 CD LYS A 120 -28.093 11.376 26.479 1.00 0.00 C ATOM 300 CE LYS A 120 -26.955 11.508 25.462 1.00 0.00 C ATOM 301 NZ LYS A 120 -25.681 11.045 26.080 1.00 0.00 N ATOM 0 H LYS A 120 -31.844 13.446 24.061 1.00 0.00 H new ATOM 0 HA LYS A 120 -29.063 13.037 23.913 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -31.141 12.712 25.799 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -30.477 11.099 25.632 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -28.537 13.407 25.881 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -29.386 12.890 27.325 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -27.687 11.341 27.490 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -28.630 10.441 26.318 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -27.177 10.917 24.573 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -26.860 12.545 25.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -24.908 11.134 25.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -25.469 11.627 26.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -25.776 10.050 26.367 1.00 0.00 H new ATOM 315 N ARG A 121 -30.793 10.354 23.042 1.00 0.00 N ATOM 316 CA ARG A 121 -30.654 9.053 22.324 1.00 0.00 C ATOM 317 C ARG A 121 -30.288 9.320 20.861 1.00 0.00 C ATOM 318 O ARG A 121 -29.608 8.533 20.229 1.00 0.00 O ATOM 319 CB ARG A 121 -31.979 8.292 22.388 1.00 0.00 C ATOM 320 CG ARG A 121 -31.770 6.856 21.901 1.00 0.00 C ATOM 321 CD ARG A 121 -32.898 5.969 22.429 1.00 0.00 C ATOM 322 NE ARG A 121 -32.741 4.590 21.886 1.00 0.00 N ATOM 323 CZ ARG A 121 -31.715 3.865 22.235 1.00 0.00 C ATOM 324 NH1 ARG A 121 -31.364 3.791 23.490 1.00 0.00 N ATOM 325 NH2 ARG A 121 -31.038 3.212 21.330 1.00 0.00 N ATOM 0 H ARG A 121 -31.743 10.590 23.327 1.00 0.00 H new ATOM 0 HA ARG A 121 -29.871 8.457 22.794 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -32.359 8.289 23.410 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -32.727 8.791 21.771 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -31.752 6.829 20.811 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -30.806 6.481 22.245 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -32.878 5.947 23.519 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -33.865 6.379 22.136 1.00 0.00 H new ATOM 0 HE ARG A 121 -33.436 4.213 21.241 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -31.892 4.300 24.198 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -30.561 3.224 23.762 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -31.311 3.269 20.349 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -30.235 2.645 21.604 1.00 0.00 H new ATOM 339 N HIS A 122 -30.734 10.427 20.323 1.00 0.00 N ATOM 340 CA HIS A 122 -30.420 10.761 18.904 1.00 0.00 C ATOM 341 C HIS A 122 -28.934 11.152 18.785 1.00 0.00 C ATOM 342 O HIS A 122 -28.372 11.137 17.704 1.00 0.00 O ATOM 343 CB HIS A 122 -31.324 11.929 18.458 1.00 0.00 C ATOM 344 CG HIS A 122 -30.912 12.442 17.098 1.00 0.00 C ATOM 345 ND1 HIS A 122 -31.309 11.824 15.922 1.00 0.00 N ATOM 346 CD2 HIS A 122 -30.140 13.511 16.717 1.00 0.00 C ATOM 347 CE1 HIS A 122 -30.780 12.520 14.900 1.00 0.00 C ATOM 348 NE2 HIS A 122 -30.058 13.559 15.328 1.00 0.00 N ATOM 0 H HIS A 122 -31.306 11.117 20.811 1.00 0.00 H new ATOM 0 HA HIS A 122 -30.604 9.899 18.263 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -32.362 11.599 18.427 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -31.268 12.737 19.188 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -31.895 10.993 15.846 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -29.668 14.209 17.392 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -30.922 12.269 13.859 1.00 0.00 H new ATOM 356 N TYR A 123 -28.296 11.504 19.878 1.00 0.00 N ATOM 357 CA TYR A 123 -26.857 11.897 19.815 1.00 0.00 C ATOM 358 C TYR A 123 -25.973 10.698 20.167 1.00 0.00 C ATOM 359 O TYR A 123 -24.882 10.855 20.683 1.00 0.00 O ATOM 360 CB TYR A 123 -26.595 13.031 20.808 1.00 0.00 C ATOM 361 CG TYR A 123 -25.289 13.705 20.467 1.00 0.00 C ATOM 362 CD1 TYR A 123 -25.156 14.404 19.261 1.00 0.00 C ATOM 363 CD2 TYR A 123 -24.211 13.634 21.357 1.00 0.00 C ATOM 364 CE1 TYR A 123 -23.945 15.029 18.944 1.00 0.00 C ATOM 365 CE2 TYR A 123 -22.999 14.260 21.039 1.00 0.00 C ATOM 366 CZ TYR A 123 -22.866 14.957 19.833 1.00 0.00 C ATOM 367 OH TYR A 123 -21.672 15.574 19.520 1.00 0.00 O ATOM 0 H TYR A 123 -28.712 11.535 20.809 1.00 0.00 H new ATOM 0 HA TYR A 123 -26.621 12.232 18.805 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -27.410 13.754 20.774 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -26.560 12.638 21.824 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -25.988 14.461 18.575 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -24.314 13.097 22.288 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -23.843 15.567 18.013 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -22.167 14.205 21.725 1.00 0.00 H new ATOM 0 HH TYR A 123 -21.029 15.428 20.245 1.00 0.00 H new ATOM 377 N ARG A 124 -26.432 9.505 19.889 1.00 0.00 N ATOM 378 CA ARG A 124 -25.621 8.291 20.200 1.00 0.00 C ATOM 379 C ARG A 124 -25.052 7.720 18.900 1.00 0.00 C ATOM 380 O ARG A 124 -23.851 7.627 18.726 1.00 0.00 O ATOM 381 CB ARG A 124 -26.509 7.243 20.875 1.00 0.00 C ATOM 382 CG ARG A 124 -25.652 6.055 21.317 1.00 0.00 C ATOM 383 CD ARG A 124 -26.561 4.911 21.768 1.00 0.00 C ATOM 384 NE ARG A 124 -26.917 5.095 23.203 1.00 0.00 N ATOM 385 CZ ARG A 124 -26.657 4.150 24.066 1.00 0.00 C ATOM 386 NH1 ARG A 124 -27.168 2.961 23.903 1.00 0.00 N ATOM 387 NH2 ARG A 124 -25.887 4.397 25.091 1.00 0.00 N ATOM 0 H ARG A 124 -27.338 9.319 19.458 1.00 0.00 H new ATOM 0 HA ARG A 124 -24.804 8.557 20.871 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -27.015 7.680 21.736 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -27.284 6.909 20.185 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -25.016 5.726 20.495 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -24.992 6.352 22.132 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -27.464 4.888 21.158 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -26.057 3.955 21.627 1.00 0.00 H new ATOM 0 HE ARG A 124 -27.364 5.959 23.511 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -27.770 2.770 23.102 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -26.966 2.222 24.576 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -25.489 5.328 25.217 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -25.684 3.659 25.765 1.00 0.00 H new ATOM 401 N SER A 125 -25.909 7.340 17.986 1.00 0.00 N ATOM 402 CA SER A 125 -25.432 6.775 16.690 1.00 0.00 C ATOM 403 C SER A 125 -24.603 7.823 15.938 1.00 0.00 C ATOM 404 O SER A 125 -23.772 7.488 15.114 1.00 0.00 O ATOM 405 CB SER A 125 -26.636 6.373 15.838 1.00 0.00 C ATOM 406 OG SER A 125 -27.390 7.535 15.514 1.00 0.00 O ATOM 0 H SER A 125 -26.923 7.398 18.084 1.00 0.00 H new ATOM 0 HA SER A 125 -24.812 5.900 16.886 1.00 0.00 H new ATOM 0 HB2 SER A 125 -26.302 5.876 14.927 1.00 0.00 H new ATOM 0 HB3 SER A 125 -27.258 5.661 16.380 1.00 0.00 H new ATOM 0 HG SER A 125 -28.162 7.282 14.966 1.00 0.00 H new ATOM 412 N HIS A 126 -24.821 9.087 16.213 1.00 0.00 N ATOM 413 CA HIS A 126 -24.048 10.159 15.515 1.00 0.00 C ATOM 414 C HIS A 126 -22.550 9.967 15.763 1.00 0.00 C ATOM 415 O HIS A 126 -21.757 9.953 14.840 1.00 0.00 O ATOM 416 CB HIS A 126 -24.476 11.526 16.052 1.00 0.00 C ATOM 417 CG HIS A 126 -25.635 12.044 15.247 1.00 0.00 C ATOM 418 ND1 HIS A 126 -25.647 12.014 13.861 1.00 0.00 N ATOM 419 CD2 HIS A 126 -26.830 12.609 15.620 1.00 0.00 C ATOM 420 CE1 HIS A 126 -26.813 12.548 13.455 1.00 0.00 C ATOM 421 NE2 HIS A 126 -27.572 12.927 14.486 1.00 0.00 N ATOM 0 H HIS A 126 -25.503 9.422 16.893 1.00 0.00 H new ATOM 0 HA HIS A 126 -24.247 10.103 14.445 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -24.757 11.444 17.102 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -23.642 12.226 15.999 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -24.907 11.653 13.259 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -27.146 12.780 16.638 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -27.101 12.657 12.420 1.00 0.00 H new ATOM 429 N THR A 127 -22.160 9.820 17.003 1.00 0.00 N ATOM 430 CA THR A 127 -20.716 9.628 17.322 1.00 0.00 C ATOM 431 C THR A 127 -20.537 8.334 18.117 1.00 0.00 C ATOM 432 O THR A 127 -19.663 8.228 18.958 1.00 0.00 O ATOM 433 CB THR A 127 -20.216 10.812 18.154 1.00 0.00 C ATOM 434 OG1 THR A 127 -18.880 10.563 18.572 1.00 0.00 O ATOM 435 CG2 THR A 127 -21.112 10.992 19.381 1.00 0.00 C ATOM 0 H THR A 127 -22.783 9.825 17.811 1.00 0.00 H new ATOM 0 HA THR A 127 -20.144 9.567 16.396 1.00 0.00 H new ATOM 0 HB THR A 127 -20.246 11.719 17.551 1.00 0.00 H new ATOM 0 HG1 THR A 127 -18.829 9.682 18.998 1.00 0.00 H new ATOM 0 HG21 THR A 127 -20.755 11.835 19.972 1.00 0.00 H new ATOM 0 HG22 THR A 127 -22.136 11.183 19.059 1.00 0.00 H new ATOM 0 HG23 THR A 127 -21.085 10.087 19.987 1.00 0.00 H new ATOM 443 N ASN A 128 -21.359 7.347 17.856 1.00 0.00 N ATOM 444 CA ASN A 128 -21.245 6.051 18.594 1.00 0.00 C ATOM 445 C ASN A 128 -19.859 5.435 18.362 1.00 0.00 C ATOM 446 O ASN A 128 -19.375 4.664 19.170 1.00 0.00 O ATOM 447 CB ASN A 128 -22.328 5.083 18.103 1.00 0.00 C ATOM 448 CG ASN A 128 -22.195 4.866 16.591 1.00 0.00 C ATOM 449 OD1 ASN A 128 -21.619 5.677 15.895 1.00 0.00 O ATOM 450 ND2 ASN A 128 -22.709 3.794 16.053 1.00 0.00 N ATOM 0 H ASN A 128 -22.106 7.384 17.162 1.00 0.00 H new ATOM 0 HA ASN A 128 -21.378 6.235 19.660 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -22.238 4.130 18.624 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -23.315 5.482 18.336 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -22.627 3.638 15.048 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -23.193 3.112 16.637 1.00 0.00 H new ATOM 457 N GLU A 129 -19.220 5.769 17.268 1.00 0.00 N ATOM 458 CA GLU A 129 -17.868 5.205 16.983 1.00 0.00 C ATOM 459 C GLU A 129 -17.029 6.243 16.235 1.00 0.00 C ATOM 460 O GLU A 129 -17.543 7.017 15.450 1.00 0.00 O ATOM 461 CB GLU A 129 -18.011 3.949 16.120 1.00 0.00 C ATOM 462 CG GLU A 129 -18.548 2.798 16.973 1.00 0.00 C ATOM 463 CD GLU A 129 -17.474 2.356 17.969 1.00 0.00 C ATOM 464 OE1 GLU A 129 -16.418 1.935 17.524 1.00 0.00 O ATOM 465 OE2 GLU A 129 -17.726 2.444 19.159 1.00 0.00 O ATOM 0 H GLU A 129 -19.579 6.409 16.560 1.00 0.00 H new ATOM 0 HA GLU A 129 -17.377 4.948 17.922 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -18.686 4.143 15.287 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -17.046 3.678 15.692 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.445 3.114 17.506 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.834 1.961 16.335 1.00 0.00 H new ATOM 472 N LYS A 130 -15.743 6.262 16.473 1.00 0.00 N ATOM 473 CA LYS A 130 -14.860 7.244 15.778 1.00 0.00 C ATOM 474 C LYS A 130 -14.905 6.992 14.261 1.00 0.00 C ATOM 475 O LYS A 130 -15.365 5.952 13.834 1.00 0.00 O ATOM 476 CB LYS A 130 -13.423 7.083 16.283 1.00 0.00 C ATOM 477 CG LYS A 130 -13.193 8.005 17.486 1.00 0.00 C ATOM 478 CD LYS A 130 -13.330 7.205 18.784 1.00 0.00 C ATOM 479 CE LYS A 130 -13.962 8.084 19.865 1.00 0.00 C ATOM 480 NZ LYS A 130 -15.446 7.980 19.784 1.00 0.00 N ATOM 0 H LYS A 130 -15.265 5.637 17.122 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.206 8.256 15.986 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -13.241 6.046 16.567 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -12.718 7.324 15.487 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.202 8.454 17.428 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.914 8.822 17.473 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -13.945 6.321 18.615 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -12.351 6.855 19.112 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -13.618 7.771 20.851 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -13.652 9.121 19.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -15.876 8.577 20.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -15.766 8.299 18.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -15.733 6.991 19.930 1.00 0.00 H new ATOM 494 N PRO A 131 -14.434 7.948 13.476 1.00 0.00 N ATOM 495 CA PRO A 131 -14.433 7.817 12.007 1.00 0.00 C ATOM 496 C PRO A 131 -13.295 6.902 11.526 1.00 0.00 C ATOM 497 O PRO A 131 -13.207 6.591 10.352 1.00 0.00 O ATOM 498 CB PRO A 131 -14.221 9.252 11.515 1.00 0.00 C ATOM 499 CG PRO A 131 -13.557 10.023 12.678 1.00 0.00 C ATOM 500 CD PRO A 131 -13.865 9.232 13.963 1.00 0.00 C ATOM 0 HA PRO A 131 -15.351 7.367 11.629 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -13.588 9.268 10.628 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -15.170 9.711 11.238 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -12.481 10.107 12.523 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -13.950 11.038 12.744 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -12.965 9.069 14.555 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -14.572 9.765 14.598 1.00 0.00 H new ATOM 508 N TYR A 132 -12.427 6.468 12.412 1.00 0.00 N ATOM 509 CA TYR A 132 -11.306 5.577 11.986 1.00 0.00 C ATOM 510 C TYR A 132 -11.226 4.360 12.931 1.00 0.00 C ATOM 511 O TYR A 132 -10.281 4.232 13.686 1.00 0.00 O ATOM 512 CB TYR A 132 -9.984 6.356 12.027 1.00 0.00 C ATOM 513 CG TYR A 132 -10.130 7.651 11.263 1.00 0.00 C ATOM 514 CD1 TYR A 132 -10.229 7.633 9.866 1.00 0.00 C ATOM 515 CD2 TYR A 132 -10.165 8.869 11.952 1.00 0.00 C ATOM 516 CE1 TYR A 132 -10.363 8.834 9.159 1.00 0.00 C ATOM 517 CE2 TYR A 132 -10.301 10.070 11.245 1.00 0.00 C ATOM 518 CZ TYR A 132 -10.400 10.052 9.849 1.00 0.00 C ATOM 519 OH TYR A 132 -10.533 11.236 9.152 1.00 0.00 O ATOM 0 H TYR A 132 -12.449 6.693 13.407 1.00 0.00 H new ATOM 0 HA TYR A 132 -11.485 5.230 10.968 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.704 6.562 13.060 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -9.184 5.756 11.594 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -10.202 6.693 9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -10.087 8.882 13.029 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -10.438 8.821 8.082 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -10.329 11.010 11.777 1.00 0.00 H new ATOM 0 HH TYR A 132 -10.542 11.987 9.782 1.00 0.00 H new ATOM 529 N PRO A 133 -12.220 3.489 12.872 1.00 0.00 N ATOM 530 CA PRO A 133 -12.254 2.287 13.724 1.00 0.00 C ATOM 531 C PRO A 133 -11.330 1.206 13.152 1.00 0.00 C ATOM 532 O PRO A 133 -11.124 1.125 11.956 1.00 0.00 O ATOM 533 CB PRO A 133 -13.716 1.838 13.664 1.00 0.00 C ATOM 534 CG PRO A 133 -14.305 2.437 12.366 1.00 0.00 C ATOM 535 CD PRO A 133 -13.393 3.612 11.969 1.00 0.00 C ATOM 0 HA PRO A 133 -11.915 2.475 14.743 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -13.788 0.750 13.657 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.266 2.188 14.538 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.339 1.688 11.575 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.328 2.778 12.526 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -13.097 3.549 10.922 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.898 4.569 12.101 1.00 0.00 H new ATOM 543 N CYS A 134 -10.776 0.376 14.001 1.00 0.00 N ATOM 544 CA CYS A 134 -9.865 -0.703 13.515 1.00 0.00 C ATOM 545 C CYS A 134 -10.645 -1.659 12.608 1.00 0.00 C ATOM 546 O CYS A 134 -11.788 -1.982 12.871 1.00 0.00 O ATOM 547 CB CYS A 134 -9.304 -1.476 14.713 1.00 0.00 C ATOM 548 SG CYS A 134 -8.055 -2.658 14.148 1.00 0.00 S ATOM 0 H CYS A 134 -10.916 0.400 15.011 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.043 -0.260 12.953 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -8.864 -0.784 15.431 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.108 -2.001 15.228 1.00 0.00 H new ATOM 553 N GLY A 135 -10.030 -2.115 11.546 1.00 0.00 N ATOM 554 CA GLY A 135 -10.726 -3.054 10.616 1.00 0.00 C ATOM 555 C GLY A 135 -10.310 -4.491 10.934 1.00 0.00 C ATOM 556 O GLY A 135 -10.283 -5.344 10.066 1.00 0.00 O ATOM 0 H GLY A 135 -9.074 -1.877 11.283 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -11.806 -2.947 10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.475 -2.812 9.583 1.00 0.00 H new ATOM 560 N LEU A 136 -9.987 -4.764 12.173 1.00 0.00 N ATOM 561 CA LEU A 136 -9.570 -6.146 12.558 1.00 0.00 C ATOM 562 C LEU A 136 -10.277 -6.537 13.858 1.00 0.00 C ATOM 563 O LEU A 136 -10.821 -7.618 13.980 1.00 0.00 O ATOM 564 CB LEU A 136 -8.050 -6.193 12.772 1.00 0.00 C ATOM 565 CG LEU A 136 -7.330 -5.470 11.627 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.838 -5.371 11.943 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.521 -6.251 10.326 1.00 0.00 C ATOM 0 H LEU A 136 -9.994 -4.087 12.936 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.841 -6.841 11.763 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.795 -5.726 13.723 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.715 -7.229 12.825 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.747 -4.469 11.515 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.327 -4.857 11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.698 -4.813 12.869 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.423 -6.372 12.057 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.009 -5.736 9.514 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.106 -7.253 10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.584 -6.322 10.097 1.00 0.00 H new ATOM 579 N CYS A 137 -10.272 -5.657 14.826 1.00 0.00 N ATOM 580 CA CYS A 137 -10.942 -5.954 16.127 1.00 0.00 C ATOM 581 C CYS A 137 -12.140 -5.014 16.340 1.00 0.00 C ATOM 582 O CYS A 137 -12.909 -5.183 17.268 1.00 0.00 O ATOM 583 CB CYS A 137 -9.936 -5.761 17.262 1.00 0.00 C ATOM 584 SG CYS A 137 -9.263 -4.078 17.216 1.00 0.00 S ATOM 0 H CYS A 137 -9.830 -4.740 14.770 1.00 0.00 H new ATOM 0 HA CYS A 137 -11.302 -6.983 16.116 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -10.420 -5.942 18.222 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -9.128 -6.487 17.170 1.00 0.00 H new ATOM 589 N ASN A 138 -12.297 -4.018 15.497 1.00 0.00 N ATOM 590 CA ASN A 138 -13.433 -3.051 15.644 1.00 0.00 C ATOM 591 C ASN A 138 -13.177 -2.152 16.856 1.00 0.00 C ATOM 592 O ASN A 138 -13.804 -2.288 17.890 1.00 0.00 O ATOM 593 CB ASN A 138 -14.764 -3.798 15.821 1.00 0.00 C ATOM 594 CG ASN A 138 -15.895 -2.982 15.193 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.540 -3.429 14.265 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.165 -1.795 15.664 1.00 0.00 N ATOM 0 H ASN A 138 -11.680 -3.833 14.706 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.499 -2.444 14.741 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.707 -4.781 15.353 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.964 -3.961 16.880 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -16.917 -1.242 15.253 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -15.624 -1.420 16.443 1.00 0.00 H new ATOM 603 N ARG A 139 -12.254 -1.234 16.729 1.00 0.00 N ATOM 604 CA ARG A 139 -11.937 -0.312 17.858 1.00 0.00 C ATOM 605 C ARG A 139 -12.379 1.106 17.487 1.00 0.00 C ATOM 606 O ARG A 139 -13.021 1.316 16.475 1.00 0.00 O ATOM 607 CB ARG A 139 -10.429 -0.330 18.118 1.00 0.00 C ATOM 608 CG ARG A 139 -10.095 -1.419 19.141 1.00 0.00 C ATOM 609 CD ARG A 139 -9.995 -0.803 20.539 1.00 0.00 C ATOM 610 NE ARG A 139 -8.857 -1.423 21.274 1.00 0.00 N ATOM 611 CZ ARG A 139 -8.977 -1.709 22.542 1.00 0.00 C ATOM 612 NH1 ARG A 139 -9.312 -0.777 23.391 1.00 0.00 N ATOM 613 NH2 ARG A 139 -8.762 -2.926 22.960 1.00 0.00 N ATOM 0 H ARG A 139 -11.703 -1.083 15.884 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.462 -0.633 18.757 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.892 -0.514 17.188 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.102 0.642 18.487 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -10.864 -2.191 19.128 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.154 -1.902 18.878 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.849 0.275 20.464 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.925 -0.962 21.085 1.00 0.00 H new ATOM 0 HE ARG A 139 -7.984 -1.624 20.786 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -9.480 0.174 23.064 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -9.406 -1.000 24.382 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -8.500 -3.655 22.296 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.856 -3.149 23.951 1.00 0.00 H new ATOM 627 N ALA A 140 -12.044 2.078 18.298 1.00 0.00 N ATOM 628 CA ALA A 140 -12.447 3.482 17.994 1.00 0.00 C ATOM 629 C ALA A 140 -11.258 4.421 18.220 1.00 0.00 C ATOM 630 O ALA A 140 -10.739 4.526 19.314 1.00 0.00 O ATOM 631 CB ALA A 140 -13.607 3.885 18.909 1.00 0.00 C ATOM 0 H ALA A 140 -11.508 1.958 19.158 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.764 3.553 16.953 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -13.904 4.911 18.690 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.452 3.218 18.740 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.291 3.814 19.950 1.00 0.00 H new ATOM 637 N PHE A 141 -10.831 5.105 17.188 1.00 0.00 N ATOM 638 CA PHE A 141 -9.679 6.045 17.330 1.00 0.00 C ATOM 639 C PHE A 141 -10.044 7.393 16.707 1.00 0.00 C ATOM 640 O PHE A 141 -10.496 7.462 15.580 1.00 0.00 O ATOM 641 CB PHE A 141 -8.456 5.472 16.612 1.00 0.00 C ATOM 642 CG PHE A 141 -8.112 4.124 17.198 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.361 4.044 18.376 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.542 2.954 16.562 1.00 0.00 C ATOM 645 CE1 PHE A 141 -7.039 2.794 18.919 1.00 0.00 C ATOM 646 CE2 PHE A 141 -8.221 1.704 17.103 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.469 1.624 18.282 1.00 0.00 C ATOM 0 H PHE A 141 -11.232 5.052 16.252 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.450 6.178 18.387 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.660 5.375 15.546 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.610 6.151 16.715 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.029 4.947 18.867 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -9.122 3.016 15.653 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.460 2.733 19.828 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.553 0.801 16.612 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.221 0.659 18.700 1.00 0.00 H new ATOM 657 N THR A 142 -9.851 8.464 17.435 1.00 0.00 N ATOM 658 CA THR A 142 -10.185 9.815 16.894 1.00 0.00 C ATOM 659 C THR A 142 -9.070 10.285 15.955 1.00 0.00 C ATOM 660 O THR A 142 -9.304 11.051 15.040 1.00 0.00 O ATOM 661 CB THR A 142 -10.327 10.806 18.051 1.00 0.00 C ATOM 662 OG1 THR A 142 -9.157 10.763 18.855 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.546 10.432 18.897 1.00 0.00 C ATOM 0 H THR A 142 -9.475 8.460 18.383 1.00 0.00 H new ATOM 0 HA THR A 142 -11.123 9.761 16.342 1.00 0.00 H new ATOM 0 HB THR A 142 -10.458 11.813 17.655 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.246 11.399 19.596 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.647 11.138 19.721 1.00 0.00 H new ATOM 0 HG22 THR A 142 -12.443 10.466 18.278 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.418 9.425 19.295 1.00 0.00 H new ATOM 671 N ARG A 143 -7.860 9.834 16.177 1.00 0.00 N ATOM 672 CA ARG A 143 -6.728 10.256 15.301 1.00 0.00 C ATOM 673 C ARG A 143 -6.432 9.157 14.279 1.00 0.00 C ATOM 674 O ARG A 143 -6.614 7.984 14.546 1.00 0.00 O ATOM 675 CB ARG A 143 -5.484 10.503 16.157 1.00 0.00 C ATOM 676 CG ARG A 143 -5.761 11.638 17.145 1.00 0.00 C ATOM 677 CD ARG A 143 -4.435 12.202 17.660 1.00 0.00 C ATOM 678 NE ARG A 143 -3.990 11.420 18.846 1.00 0.00 N ATOM 679 CZ ARG A 143 -2.971 11.829 19.552 1.00 0.00 C ATOM 680 NH1 ARG A 143 -3.067 12.914 20.271 1.00 0.00 N ATOM 681 NH2 ARG A 143 -1.855 11.152 19.538 1.00 0.00 N ATOM 0 H ARG A 143 -7.609 9.191 16.928 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.999 11.173 14.778 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.215 9.595 16.696 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.637 10.759 15.521 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.339 12.424 16.659 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.360 11.271 17.978 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -3.679 12.156 16.876 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -4.553 13.252 17.927 1.00 0.00 H new ATOM 0 HE ARG A 143 -4.481 10.565 19.107 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -3.939 13.443 20.282 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -2.270 13.233 20.822 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -1.780 10.304 18.976 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -1.058 11.471 20.089 1.00 0.00 H new ATOM 695 N ARG A 144 -5.977 9.531 13.109 1.00 0.00 N ATOM 696 CA ARG A 144 -5.663 8.517 12.061 1.00 0.00 C ATOM 697 C ARG A 144 -4.349 7.817 12.408 1.00 0.00 C ATOM 698 O ARG A 144 -4.205 6.623 12.225 1.00 0.00 O ATOM 699 CB ARG A 144 -5.530 9.210 10.703 1.00 0.00 C ATOM 700 CG ARG A 144 -5.840 8.211 9.587 1.00 0.00 C ATOM 701 CD ARG A 144 -5.258 8.721 8.267 1.00 0.00 C ATOM 702 NE ARG A 144 -6.306 9.469 7.518 1.00 0.00 N ATOM 703 CZ ARG A 144 -6.839 8.948 6.446 1.00 0.00 C ATOM 704 NH1 ARG A 144 -7.594 7.888 6.542 1.00 0.00 N ATOM 705 NH2 ARG A 144 -6.615 9.488 5.279 1.00 0.00 N ATOM 0 H ARG A 144 -5.810 10.499 12.836 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.466 7.781 12.015 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.213 10.057 10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.521 9.605 10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -5.418 7.236 9.830 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.918 8.077 9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -4.402 9.368 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -4.896 7.884 7.669 1.00 0.00 H new ATOM 0 HE ARG A 144 -6.607 10.388 7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -7.768 7.467 7.454 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -8.010 7.481 5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -6.024 10.316 5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -7.031 9.082 4.441 1.00 0.00 H new ATOM 719 N ASP A 145 -3.391 8.553 12.914 1.00 0.00 N ATOM 720 CA ASP A 145 -2.081 7.940 13.281 1.00 0.00 C ATOM 721 C ASP A 145 -2.295 6.906 14.389 1.00 0.00 C ATOM 722 O ASP A 145 -1.568 5.936 14.493 1.00 0.00 O ATOM 723 CB ASP A 145 -1.128 9.030 13.777 1.00 0.00 C ATOM 724 CG ASP A 145 -1.793 9.816 14.909 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.006 9.237 15.962 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.078 10.984 14.704 1.00 0.00 O ATOM 0 H ASP A 145 -3.462 9.555 13.089 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.650 7.452 12.407 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.199 8.582 14.129 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.869 9.701 12.958 1.00 0.00 H new ATOM 731 N LEU A 146 -3.289 7.109 15.216 1.00 0.00 N ATOM 732 CA LEU A 146 -3.564 6.146 16.321 1.00 0.00 C ATOM 733 C LEU A 146 -3.940 4.784 15.736 1.00 0.00 C ATOM 734 O LEU A 146 -3.402 3.763 16.118 1.00 0.00 O ATOM 735 CB LEU A 146 -4.724 6.669 17.170 1.00 0.00 C ATOM 736 CG LEU A 146 -4.183 7.533 18.311 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.349 8.157 19.080 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.356 6.664 19.262 1.00 0.00 C ATOM 0 H LEU A 146 -3.925 7.906 15.172 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.672 6.040 16.939 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.405 7.253 16.551 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.296 5.834 17.574 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.555 8.323 17.899 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.962 8.772 19.892 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.940 8.777 18.405 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -5.978 7.367 19.491 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -2.971 7.279 20.075 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.985 5.874 19.672 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.523 6.219 18.717 1.00 0.00 H new ATOM 750 N LEU A 147 -4.870 4.766 14.816 1.00 0.00 N ATOM 751 CA LEU A 147 -5.309 3.477 14.195 1.00 0.00 C ATOM 752 C LEU A 147 -4.109 2.736 13.593 1.00 0.00 C ATOM 753 O LEU A 147 -3.985 1.533 13.727 1.00 0.00 O ATOM 754 CB LEU A 147 -6.325 3.771 13.089 1.00 0.00 C ATOM 755 CG LEU A 147 -7.171 2.524 12.823 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.411 2.910 12.014 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.346 1.506 12.032 1.00 0.00 C ATOM 0 H LEU A 147 -5.349 5.595 14.465 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.761 2.851 14.964 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.967 4.602 13.382 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.808 4.073 12.178 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.478 2.086 13.773 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.013 2.021 11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -9.000 3.635 12.575 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.104 3.349 11.065 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.949 0.618 11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -6.039 1.945 11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.462 1.229 12.606 1.00 0.00 H new ATOM 769 N ILE A 148 -3.230 3.445 12.930 1.00 0.00 N ATOM 770 CA ILE A 148 -2.041 2.781 12.315 1.00 0.00 C ATOM 771 C ILE A 148 -1.168 2.176 13.417 1.00 0.00 C ATOM 772 O ILE A 148 -0.607 1.110 13.259 1.00 0.00 O ATOM 773 CB ILE A 148 -1.231 3.808 11.516 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.130 4.457 10.460 1.00 0.00 C ATOM 775 CG2 ILE A 148 -0.058 3.110 10.819 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.452 5.713 9.912 1.00 0.00 C ATOM 0 H ILE A 148 -3.285 4.454 12.788 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.375 1.990 11.644 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.850 4.572 12.194 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.324 3.753 9.650 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.095 4.714 10.897 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.516 3.843 10.252 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.585 2.645 11.566 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.440 2.345 10.142 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.093 6.174 9.160 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.281 6.418 10.725 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.498 5.443 9.459 1.00 0.00 H new ATOM 788 N ARG A 149 -1.052 2.849 14.533 1.00 0.00 N ATOM 789 CA ARG A 149 -0.219 2.319 15.652 1.00 0.00 C ATOM 790 C ARG A 149 -0.922 1.120 16.302 1.00 0.00 C ATOM 791 O ARG A 149 -0.293 0.299 16.941 1.00 0.00 O ATOM 792 CB ARG A 149 -0.014 3.421 16.696 1.00 0.00 C ATOM 793 CG ARG A 149 0.941 2.929 17.789 1.00 0.00 C ATOM 794 CD ARG A 149 0.136 2.452 19.000 1.00 0.00 C ATOM 795 NE ARG A 149 0.941 2.645 20.238 1.00 0.00 N ATOM 796 CZ ARG A 149 0.631 1.993 21.325 1.00 0.00 C ATOM 797 NH1 ARG A 149 0.965 0.738 21.451 1.00 0.00 N ATOM 798 NH2 ARG A 149 -0.014 2.596 22.286 1.00 0.00 N ATOM 0 H ARG A 149 -1.501 3.746 14.717 1.00 0.00 H new ATOM 0 HA ARG A 149 0.747 1.998 15.263 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.392 4.314 16.221 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.971 3.701 17.136 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.558 2.116 17.407 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.617 3.732 18.083 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.799 3.008 19.071 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -0.127 1.400 18.884 1.00 0.00 H new ATOM 0 HE ARG A 149 1.734 3.286 20.236 1.00 0.00 H new ATOM 0 HH11 ARG A 149 1.469 0.266 20.700 1.00 0.00 H new ATOM 0 HH12 ARG A 149 0.723 0.229 22.301 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -0.276 3.577 22.187 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -0.256 2.086 23.136 1.00 0.00 H new ATOM 812 N HIS A 150 -2.221 1.018 16.148 1.00 0.00 N ATOM 813 CA HIS A 150 -2.968 -0.119 16.760 1.00 0.00 C ATOM 814 C HIS A 150 -2.567 -1.430 16.063 1.00 0.00 C ATOM 815 O HIS A 150 -2.254 -2.410 16.710 1.00 0.00 O ATOM 816 CB HIS A 150 -4.480 0.142 16.601 1.00 0.00 C ATOM 817 CG HIS A 150 -5.281 -1.075 16.997 1.00 0.00 C ATOM 818 ND1 HIS A 150 -5.690 -1.304 18.301 1.00 0.00 N ATOM 819 CD2 HIS A 150 -5.746 -2.137 16.266 1.00 0.00 C ATOM 820 CE1 HIS A 150 -6.369 -2.467 18.312 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.432 -3.016 17.098 1.00 0.00 N ATOM 0 H HIS A 150 -2.795 1.677 15.622 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.728 -0.206 17.820 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.773 0.992 17.217 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.701 0.407 15.567 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -5.510 -0.702 19.105 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.602 -2.271 15.204 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -6.809 -2.902 19.197 1.00 0.00 H new ATOM 829 N ALA A 151 -2.588 -1.458 14.754 1.00 0.00 N ATOM 830 CA ALA A 151 -2.221 -2.709 14.026 1.00 0.00 C ATOM 831 C ALA A 151 -0.704 -2.913 14.073 1.00 0.00 C ATOM 832 O ALA A 151 -0.222 -3.953 14.478 1.00 0.00 O ATOM 833 CB ALA A 151 -2.680 -2.607 12.569 1.00 0.00 C ATOM 0 H ALA A 151 -2.843 -0.669 14.160 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.711 -3.558 14.503 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.412 -3.520 12.038 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -3.761 -2.473 12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.194 -1.755 12.093 1.00 0.00 H new ATOM 839 N GLN A 152 0.049 -1.926 13.659 1.00 0.00 N ATOM 840 CA GLN A 152 1.543 -2.045 13.662 1.00 0.00 C ATOM 841 C GLN A 152 2.058 -2.473 15.046 1.00 0.00 C ATOM 842 O GLN A 152 3.151 -2.995 15.167 1.00 0.00 O ATOM 843 CB GLN A 152 2.162 -0.691 13.302 1.00 0.00 C ATOM 844 CG GLN A 152 1.602 -0.190 11.962 1.00 0.00 C ATOM 845 CD GLN A 152 2.692 -0.250 10.887 1.00 0.00 C ATOM 846 OE1 GLN A 152 2.453 -0.705 9.787 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.887 0.196 11.161 1.00 0.00 N ATOM 0 H GLN A 152 -0.308 -1.034 13.316 1.00 0.00 H new ATOM 0 HA GLN A 152 1.827 -2.801 12.930 1.00 0.00 H new ATOM 0 HB2 GLN A 152 1.949 0.034 14.087 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.246 -0.784 13.239 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.750 -0.800 11.663 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.240 0.833 12.069 1.00 0.00 H new ATOM 0 HE21 GLN A 152 4.089 0.579 12.085 1.00 0.00 H new ATOM 0 HE22 GLN A 152 4.619 0.162 10.452 1.00 0.00 H new ATOM 856 N LYS A 153 1.296 -2.239 16.087 1.00 0.00 N ATOM 857 CA LYS A 153 1.762 -2.615 17.457 1.00 0.00 C ATOM 858 C LYS A 153 1.129 -3.939 17.904 1.00 0.00 C ATOM 859 O LYS A 153 1.674 -4.632 18.743 1.00 0.00 O ATOM 860 CB LYS A 153 1.371 -1.511 18.441 1.00 0.00 C ATOM 861 CG LYS A 153 2.150 -0.234 18.114 1.00 0.00 C ATOM 862 CD LYS A 153 3.635 -0.440 18.428 1.00 0.00 C ATOM 863 CE LYS A 153 4.392 -0.775 17.141 1.00 0.00 C ATOM 864 NZ LYS A 153 4.961 0.475 16.558 1.00 0.00 N ATOM 0 H LYS A 153 0.374 -1.805 16.047 1.00 0.00 H new ATOM 0 HA LYS A 153 2.845 -2.737 17.437 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.299 -1.321 18.383 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.584 -1.828 19.462 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.023 0.022 17.062 1.00 0.00 H new ATOM 0 HG3 LYS A 153 1.758 0.601 18.695 1.00 0.00 H new ATOM 0 HD2 LYS A 153 4.049 0.461 18.881 1.00 0.00 H new ATOM 0 HD3 LYS A 153 3.755 -1.246 19.152 1.00 0.00 H new ATOM 0 HE2 LYS A 153 5.190 -1.487 17.351 1.00 0.00 H new ATOM 0 HE3 LYS A 153 3.721 -1.250 16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.475 0.247 15.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 4.191 1.140 16.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 5.614 0.910 17.240 1.00 0.00 H new ATOM 878 N ILE A 154 -0.013 -4.291 17.367 1.00 0.00 N ATOM 879 CA ILE A 154 -0.670 -5.568 17.786 1.00 0.00 C ATOM 880 C ILE A 154 -0.932 -6.461 16.565 1.00 0.00 C ATOM 881 O ILE A 154 -0.556 -7.619 16.549 1.00 0.00 O ATOM 882 CB ILE A 154 -1.995 -5.250 18.497 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.714 -4.384 19.730 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.677 -6.550 18.944 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.900 -2.908 19.377 1.00 0.00 C ATOM 0 H ILE A 154 -0.516 -3.753 16.661 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.009 -6.102 18.469 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.650 -4.717 17.807 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.387 -4.661 20.542 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.698 -4.558 20.084 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.615 -6.315 19.447 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.879 -7.173 18.073 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.022 -7.087 19.630 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.699 -2.296 20.256 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -1.209 -2.635 18.579 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.924 -2.740 19.044 1.00 0.00 H new ATOM 897 N HIS A 155 -1.581 -5.943 15.550 1.00 0.00 N ATOM 898 CA HIS A 155 -1.873 -6.777 14.347 1.00 0.00 C ATOM 899 C HIS A 155 -0.615 -6.890 13.480 1.00 0.00 C ATOM 900 O HIS A 155 0.079 -7.888 13.517 1.00 0.00 O ATOM 901 CB HIS A 155 -3.013 -6.137 13.546 1.00 0.00 C ATOM 902 CG HIS A 155 -4.264 -6.126 14.379 1.00 0.00 C ATOM 903 ND1 HIS A 155 -5.050 -7.256 14.550 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.882 -5.129 15.094 1.00 0.00 C ATOM 905 CE1 HIS A 155 -6.085 -6.914 15.338 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.031 -5.629 15.699 1.00 0.00 N ATOM 0 H HIS A 155 -1.919 -4.982 15.505 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.176 -7.776 14.660 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.745 -5.120 13.260 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.182 -6.694 12.624 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -4.875 -8.178 14.151 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.529 -4.111 15.174 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.865 -7.596 15.642 1.00 0.00 H new ATOM 914 N SER A 156 -0.314 -5.877 12.707 1.00 0.00 N ATOM 915 CA SER A 156 0.900 -5.926 11.840 1.00 0.00 C ATOM 916 C SER A 156 1.056 -4.593 11.107 1.00 0.00 C ATOM 917 O SER A 156 2.128 -4.018 11.071 1.00 0.00 O ATOM 918 CB SER A 156 0.754 -7.055 10.819 1.00 0.00 C ATOM 919 OG SER A 156 -0.620 -7.226 10.501 1.00 0.00 O ATOM 0 H SER A 156 -0.858 -5.017 12.640 1.00 0.00 H new ATOM 0 HA SER A 156 1.780 -6.107 12.457 1.00 0.00 H new ATOM 0 HB2 SER A 156 1.321 -6.822 9.918 1.00 0.00 H new ATOM 0 HB3 SER A 156 1.164 -7.981 11.223 1.00 0.00 H new ATOM 0 HG SER A 156 -0.717 -7.948 9.846 1.00 0.00 H new ATOM 925 N GLY A 157 -0.006 -4.100 10.524 1.00 0.00 N ATOM 926 CA GLY A 157 0.070 -2.803 9.790 1.00 0.00 C ATOM 927 C GLY A 157 0.399 -3.068 8.319 1.00 0.00 C ATOM 928 O GLY A 157 -0.276 -2.588 7.428 1.00 0.00 O ATOM 0 H GLY A 157 -0.925 -4.542 10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 157 -0.878 -2.271 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.833 -2.165 10.235 1.00 0.00 H new ATOM 932 N ASN A 158 1.432 -3.830 8.063 1.00 0.00 N ATOM 933 CA ASN A 158 1.815 -4.135 6.653 1.00 0.00 C ATOM 934 C ASN A 158 2.300 -5.583 6.560 1.00 0.00 C ATOM 935 O ASN A 158 2.222 -6.334 7.514 1.00 0.00 O ATOM 936 CB ASN A 158 2.937 -3.192 6.213 1.00 0.00 C ATOM 937 CG ASN A 158 4.092 -3.267 7.214 1.00 0.00 C ATOM 938 OD1 ASN A 158 4.576 -4.339 7.520 1.00 0.00 O ATOM 939 ND2 ASN A 158 4.556 -2.168 7.740 1.00 0.00 N ATOM 0 H ASN A 158 2.028 -4.255 8.773 1.00 0.00 H new ATOM 0 HA ASN A 158 0.951 -3.998 6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 158 3.287 -3.466 5.218 1.00 0.00 H new ATOM 0 HB3 ASN A 158 2.563 -2.170 6.150 1.00 0.00 H new ATOM 0 HD21 ASN A 158 5.325 -2.208 8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 158 4.150 -1.268 7.483 1.00 0.00 H new ATOM 946 N LEU A 159 2.801 -5.977 5.417 1.00 0.00 N ATOM 947 CA LEU A 159 3.296 -7.375 5.252 1.00 0.00 C ATOM 948 C LEU A 159 4.751 -7.458 5.721 1.00 0.00 C ATOM 949 O LEU A 159 5.193 -8.473 6.225 1.00 0.00 O ATOM 950 CB LEU A 159 3.207 -7.780 3.773 1.00 0.00 C ATOM 951 CG LEU A 159 2.698 -9.225 3.642 1.00 0.00 C ATOM 952 CD1 LEU A 159 3.650 -10.182 4.370 1.00 0.00 C ATOM 953 CD2 LEU A 159 1.286 -9.338 4.242 1.00 0.00 C ATOM 0 H LEU A 159 2.888 -5.388 4.589 1.00 0.00 H new ATOM 0 HA LEU A 159 2.683 -8.051 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 159 2.537 -7.102 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 159 4.187 -7.689 3.305 1.00 0.00 H new ATOM 0 HG LEU A 159 2.660 -9.494 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 159 3.283 -11.204 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 159 4.645 -10.110 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 159 3.700 -9.913 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.931 -10.364 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.315 -9.061 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 159 0.610 -8.669 3.710 1.00 0.00 H new ATOM 965 N GLY A 160 5.496 -6.393 5.559 1.00 0.00 N ATOM 966 CA GLY A 160 6.924 -6.398 5.994 1.00 0.00 C ATOM 967 C GLY A 160 6.996 -6.586 7.511 1.00 0.00 C ATOM 968 O GLY A 160 6.622 -5.711 8.270 1.00 0.00 O ATOM 0 H GLY A 160 5.175 -5.519 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 160 7.465 -7.200 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 160 7.405 -5.462 5.710 1.00 0.00 H new ATOM 972 N GLU A 161 7.472 -7.721 7.954 1.00 0.00 N ATOM 973 CA GLU A 161 7.571 -7.976 9.422 1.00 0.00 C ATOM 974 C GLU A 161 8.710 -7.138 10.009 1.00 0.00 C ATOM 975 O GLU A 161 9.758 -7.084 9.388 1.00 0.00 O ATOM 976 CB GLU A 161 7.853 -9.462 9.663 1.00 0.00 C ATOM 977 CG GLU A 161 7.653 -9.787 11.145 1.00 0.00 C ATOM 978 CD GLU A 161 8.971 -9.586 11.895 1.00 0.00 C ATOM 979 OE1 GLU A 161 9.783 -10.498 11.880 1.00 0.00 O ATOM 980 OE2 GLU A 161 9.148 -8.526 12.470 1.00 0.00 O ATOM 981 OXT GLU A 161 8.511 -6.566 11.068 1.00 0.00 O ATOM 0 H GLU A 161 7.797 -8.484 7.360 1.00 0.00 H new ATOM 0 HA GLU A 161 6.633 -7.701 9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 161 7.187 -10.073 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 161 8.872 -9.703 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 161 6.880 -9.145 11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 161 7.311 -10.815 11.260 1.00 0.00 H new TER 988 GLU A 161 HETATM 989 ZN ZN A 162 -7.480 -4.208 15.827 1.00 0.00 ZN HETATM 990 ZN ZN A 163 -28.465 14.712 14.855 1.00 0.00 ZN