USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 504 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 Set 1.1: A 142 SER OG : rot -43:sc= 0.872 USER MOD Set 1.2: A 151 THR OG1 : rot -119:sc= -0.588! USER MOD Set 2.1: A 135 HIS : no HD1:sc= -1.59 K(o=-3,f=-7.2!) USER MOD Set 2.2: A 159 ASN :FLIP amide:sc= -1.46 F(o=-7.6!,f=-3) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 140:sc= 0.916 (180deg=0.41) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 125:sc= -1.21 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -1.07 F(o=-2.1!,f=-1.1) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -24:sc= 0.532 USER MOD Single : A 139 SER OG : rot 151:sc= -0.746! USER MOD Single : A 140 SER OG : rot 41:sc= 1.11 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 94:sc= 1.27 USER MOD Single : A 153 LYS NZ :NH3+ -153:sc= -0.0813 (180deg=-0.482) USER MOD Single : A 155 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-0.85) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 13.309 9.231 -15.226 1.00 0.00 N ATOM 2 CA GLU A 92 14.746 9.323 -14.862 1.00 0.00 C ATOM 3 C GLU A 92 14.935 10.067 -13.544 1.00 0.00 C ATOM 4 O GLU A 92 14.334 11.119 -13.323 1.00 0.00 O ATOM 5 CB GLU A 92 15.488 10.047 -15.988 1.00 0.00 C ATOM 6 CG GLU A 92 15.386 9.344 -17.333 1.00 0.00 C ATOM 7 CD GLU A 92 16.149 10.065 -18.427 1.00 0.00 C ATOM 8 OE1 GLU A 92 17.380 10.225 -18.286 1.00 0.00 O ATOM 9 OE2 GLU A 92 15.516 10.468 -19.425 1.00 0.00 O ATOM 0 HA GLU A 92 15.147 8.318 -14.732 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.090 11.057 -16.084 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.539 10.143 -15.716 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.768 8.328 -17.238 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.337 9.264 -17.619 1.00 0.00 H new ATOM 18 N ALA A 93 15.772 9.512 -12.671 1.00 0.00 N ATOM 19 CA ALA A 93 16.045 10.117 -11.373 1.00 0.00 C ATOM 20 C ALA A 93 14.766 10.264 -10.552 1.00 0.00 C ATOM 21 O ALA A 93 14.525 11.308 -9.944 1.00 0.00 O ATOM 22 CB ALA A 93 16.721 11.470 -11.551 1.00 0.00 C ATOM 0 H ALA A 93 16.274 8.641 -12.841 1.00 0.00 H new ATOM 0 HA ALA A 93 16.719 9.456 -10.828 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.919 11.909 -10.573 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.661 11.339 -12.087 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.068 12.131 -12.121 1.00 0.00 H new ATOM 28 N GLU A 94 13.952 9.211 -10.538 1.00 0.00 N ATOM 29 CA GLU A 94 12.698 9.220 -9.790 1.00 0.00 C ATOM 30 C GLU A 94 12.030 7.852 -9.843 1.00 0.00 C ATOM 31 O GLU A 94 11.649 7.290 -8.816 1.00 0.00 O ATOM 32 CB GLU A 94 11.753 10.285 -10.353 1.00 0.00 C ATOM 33 CG GLU A 94 10.452 10.425 -9.578 1.00 0.00 C ATOM 34 CD GLU A 94 10.662 10.916 -8.158 1.00 0.00 C ATOM 35 OE1 GLU A 94 11.318 10.203 -7.371 1.00 0.00 O ATOM 36 OE2 GLU A 94 10.171 12.018 -7.834 1.00 0.00 O ATOM 0 H GLU A 94 14.139 8.341 -11.036 1.00 0.00 H new ATOM 0 HA GLU A 94 12.922 9.457 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.267 11.246 -10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.522 10.041 -11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.795 11.118 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.944 9.461 -9.553 1.00 0.00 H new ATOM 43 N PHE A 95 11.900 7.324 -11.051 1.00 0.00 N ATOM 44 CA PHE A 95 11.286 6.017 -11.265 1.00 0.00 C ATOM 45 C PHE A 95 12.288 4.896 -11.003 1.00 0.00 C ATOM 46 O PHE A 95 12.531 4.053 -11.868 1.00 0.00 O ATOM 47 CB PHE A 95 10.738 5.907 -12.692 1.00 0.00 C ATOM 48 CG PHE A 95 9.524 6.759 -12.950 1.00 0.00 C ATOM 49 CD1 PHE A 95 9.516 8.108 -12.628 1.00 0.00 C ATOM 50 CD2 PHE A 95 8.389 6.205 -13.519 1.00 0.00 C ATOM 51 CE1 PHE A 95 8.400 8.886 -12.869 1.00 0.00 C ATOM 52 CE2 PHE A 95 7.269 6.978 -13.763 1.00 0.00 C ATOM 53 CZ PHE A 95 7.274 8.320 -13.438 1.00 0.00 C ATOM 0 H PHE A 95 12.214 7.783 -11.906 1.00 0.00 H new ATOM 0 HA PHE A 95 10.460 5.915 -10.561 1.00 0.00 H new ATOM 0 HB2 PHE A 95 11.523 6.189 -13.394 1.00 0.00 H new ATOM 0 HB3 PHE A 95 10.488 4.866 -12.895 1.00 0.00 H new ATOM 0 HD1 PHE A 95 10.393 8.556 -12.184 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.379 5.156 -13.775 1.00 0.00 H new ATOM 0 HE1 PHE A 95 8.407 9.935 -12.613 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.391 6.533 -14.207 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.401 8.926 -13.628 1.00 0.00 H new ATOM 63 N VAL A 96 12.873 4.895 -9.809 1.00 0.00 N ATOM 64 CA VAL A 96 13.855 3.881 -9.441 1.00 0.00 C ATOM 65 C VAL A 96 13.672 3.433 -7.993 1.00 0.00 C ATOM 66 O VAL A 96 13.385 4.247 -7.115 1.00 0.00 O ATOM 67 CB VAL A 96 15.294 4.406 -9.628 1.00 0.00 C ATOM 68 CG1 VAL A 96 16.311 3.354 -9.209 1.00 0.00 C ATOM 69 CG2 VAL A 96 15.525 4.830 -11.070 1.00 0.00 C ATOM 0 H VAL A 96 12.684 5.584 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 96 13.695 3.029 -10.101 1.00 0.00 H new ATOM 0 HB VAL A 96 15.424 5.279 -8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.318 3.746 -9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.162 3.102 -8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.181 2.460 -9.818 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.545 5.197 -11.182 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.372 3.976 -11.729 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.823 5.621 -11.333 1.00 0.00 H new ATOM 79 N ARG A 97 13.839 2.130 -7.763 1.00 0.00 N ATOM 80 CA ARG A 97 13.700 1.539 -6.429 1.00 0.00 C ATOM 81 C ARG A 97 12.473 2.083 -5.704 1.00 0.00 C ATOM 82 O ARG A 97 11.460 2.397 -6.327 1.00 0.00 O ATOM 83 CB ARG A 97 14.977 1.774 -5.601 1.00 0.00 C ATOM 84 CG ARG A 97 15.228 3.224 -5.207 1.00 0.00 C ATOM 85 CD ARG A 97 16.626 3.412 -4.642 1.00 0.00 C ATOM 86 NE ARG A 97 16.867 4.792 -4.229 1.00 0.00 N ATOM 87 CZ ARG A 97 18.015 5.217 -3.711 1.00 0.00 C ATOM 88 NH1 ARG A 97 19.028 4.374 -3.552 1.00 0.00 N ATOM 89 NH2 ARG A 97 18.154 6.487 -3.353 1.00 0.00 N ATOM 0 H ARG A 97 14.073 1.456 -8.492 1.00 0.00 H new ATOM 0 HA ARG A 97 13.559 0.465 -6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 97 14.921 1.171 -4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.834 1.414 -6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.096 3.867 -6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.490 3.534 -4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.765 2.748 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.362 3.124 -5.392 1.00 0.00 H new ATOM 0 HE ARG A 97 16.112 5.468 -4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 97 18.927 3.397 -3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 97 19.908 4.703 -3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.379 7.139 -3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.036 6.811 -2.956 1.00 0.00 H new ATOM 103 N ILE A 98 12.587 2.180 -4.385 1.00 0.00 N ATOM 104 CA ILE A 98 11.517 2.681 -3.520 1.00 0.00 C ATOM 105 C ILE A 98 10.169 2.032 -3.822 1.00 0.00 C ATOM 106 O ILE A 98 9.119 2.644 -3.622 1.00 0.00 O ATOM 107 CB ILE A 98 11.381 4.221 -3.611 1.00 0.00 C ATOM 108 CG1 ILE A 98 10.759 4.649 -4.943 1.00 0.00 C ATOM 109 CG2 ILE A 98 12.743 4.875 -3.437 1.00 0.00 C ATOM 110 CD1 ILE A 98 10.595 6.146 -5.085 1.00 0.00 C ATOM 0 H ILE A 98 13.430 1.912 -3.878 1.00 0.00 H new ATOM 0 HA ILE A 98 11.805 2.409 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 98 10.718 4.548 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 98 11.381 4.282 -5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.783 4.174 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.638 5.958 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 98 13.153 4.609 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.416 4.528 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.149 6.373 -6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.948 6.518 -4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.570 6.627 -5.013 1.00 0.00 H new ATOM 122 N CYS A 99 10.210 0.783 -4.273 1.00 0.00 N ATOM 123 CA CYS A 99 8.994 0.027 -4.582 1.00 0.00 C ATOM 124 C CYS A 99 8.101 0.748 -5.595 1.00 0.00 C ATOM 125 O CYS A 99 7.963 1.970 -5.564 1.00 0.00 O ATOM 126 CB CYS A 99 8.205 -0.254 -3.301 1.00 0.00 C ATOM 127 SG CYS A 99 8.882 -1.610 -2.289 1.00 0.00 S ATOM 0 H CYS A 99 11.075 0.267 -4.435 1.00 0.00 H new ATOM 0 HA CYS A 99 9.309 -0.914 -5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.176 0.654 -2.699 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.175 -0.493 -3.567 1.00 0.00 H new ATOM 132 N SER A 100 7.491 -0.027 -6.491 1.00 0.00 N ATOM 133 CA SER A 100 6.601 0.524 -7.513 1.00 0.00 C ATOM 134 C SER A 100 5.661 1.569 -6.913 1.00 0.00 C ATOM 135 O SER A 100 5.028 1.329 -5.885 1.00 0.00 O ATOM 136 CB SER A 100 5.789 -0.596 -8.165 1.00 0.00 C ATOM 137 OG SER A 100 5.003 -1.283 -7.206 1.00 0.00 O ATOM 0 H SER A 100 7.597 -1.041 -6.530 1.00 0.00 H new ATOM 0 HA SER A 100 7.215 1.009 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.143 -0.178 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.462 -1.298 -8.658 1.00 0.00 H new ATOM 0 HG SER A 100 4.493 -1.993 -7.649 1.00 0.00 H new ATOM 143 N LYS A 101 5.581 2.729 -7.558 1.00 0.00 N ATOM 144 CA LYS A 101 4.723 3.810 -7.082 1.00 0.00 C ATOM 145 C LYS A 101 3.256 3.553 -7.424 1.00 0.00 C ATOM 146 O LYS A 101 2.413 4.437 -7.275 1.00 0.00 O ATOM 147 CB LYS A 101 5.172 5.144 -7.679 1.00 0.00 C ATOM 148 CG LYS A 101 5.098 5.190 -9.197 1.00 0.00 C ATOM 149 CD LYS A 101 5.637 6.503 -9.742 1.00 0.00 C ATOM 150 CE LYS A 101 7.112 6.681 -9.413 1.00 0.00 C ATOM 151 NZ LYS A 101 7.644 7.974 -9.925 1.00 0.00 N ATOM 0 H LYS A 101 6.099 2.945 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 101 4.814 3.852 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.553 5.942 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.197 5.345 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.668 4.360 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.064 5.060 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.498 6.534 -10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.067 7.333 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.251 6.634 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.682 5.858 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.290 8.386 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.159 7.810 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.856 8.630 -10.097 1.00 0.00 H new ATOM 165 N SER A 102 2.957 2.340 -7.876 1.00 0.00 N ATOM 166 CA SER A 102 1.590 1.974 -8.231 1.00 0.00 C ATOM 167 C SER A 102 0.712 1.897 -6.986 1.00 0.00 C ATOM 168 O SER A 102 -0.414 2.395 -6.973 1.00 0.00 O ATOM 169 CB SER A 102 1.569 0.634 -8.967 1.00 0.00 C ATOM 170 OG SER A 102 2.312 0.700 -10.172 1.00 0.00 O ATOM 0 H SER A 102 3.641 1.595 -8.005 1.00 0.00 H new ATOM 0 HA SER A 102 1.193 2.746 -8.891 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.982 -0.144 -8.324 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.539 0.353 -9.187 1.00 0.00 H new ATOM 0 HG SER A 102 2.284 -0.170 -10.622 1.00 0.00 H new ATOM 176 N TYR A 103 1.240 1.265 -5.944 1.00 0.00 N ATOM 177 CA TYR A 103 0.518 1.108 -4.687 1.00 0.00 C ATOM 178 C TYR A 103 0.220 2.462 -4.047 1.00 0.00 C ATOM 179 O TYR A 103 -0.804 2.631 -3.385 1.00 0.00 O ATOM 180 CB TYR A 103 1.320 0.237 -3.716 1.00 0.00 C ATOM 181 CG TYR A 103 1.477 -1.203 -4.159 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.858 -1.520 -5.459 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.245 -2.249 -3.273 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.002 -2.834 -5.861 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.387 -3.565 -3.668 1.00 0.00 C ATOM 186 CZ TYR A 103 1.765 -3.853 -4.962 1.00 0.00 C ATOM 187 OH TYR A 103 1.907 -5.163 -5.358 1.00 0.00 O ATOM 0 H TYR A 103 2.172 0.850 -5.946 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.430 0.618 -4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.309 0.675 -3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.832 0.255 -2.742 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.044 -0.725 -6.166 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.949 -2.029 -2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.299 -3.062 -6.874 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.203 -4.365 -2.966 1.00 0.00 H new ATOM 0 HH TYR A 103 2.532 -5.620 -4.758 1.00 0.00 H new ATOM 197 N LEU A 104 1.126 3.417 -4.240 1.00 0.00 N ATOM 198 CA LEU A 104 0.967 4.754 -3.673 1.00 0.00 C ATOM 199 C LEU A 104 -0.417 5.318 -3.980 1.00 0.00 C ATOM 200 O LEU A 104 -1.082 5.870 -3.103 1.00 0.00 O ATOM 201 CB LEU A 104 2.042 5.696 -4.218 1.00 0.00 C ATOM 202 CG LEU A 104 3.485 5.233 -4.004 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.461 6.281 -4.517 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.742 4.933 -2.535 1.00 0.00 C ATOM 0 H LEU A 104 1.979 3.290 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 104 1.076 4.674 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.876 5.831 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.918 6.673 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 104 3.638 4.314 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.483 5.936 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.295 6.442 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.306 7.217 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.774 4.606 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.570 5.833 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.067 4.145 -2.201 1.00 0.00 H new ATOM 216 N THR A 105 -0.847 5.175 -5.229 1.00 0.00 N ATOM 217 CA THR A 105 -2.152 5.668 -5.648 1.00 0.00 C ATOM 218 C THR A 105 -3.216 4.583 -5.520 1.00 0.00 C ATOM 219 O THR A 105 -2.975 3.421 -5.851 1.00 0.00 O ATOM 220 CB THR A 105 -2.122 6.182 -7.100 1.00 0.00 C ATOM 221 OG1 THR A 105 -3.426 6.627 -7.491 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.645 5.096 -8.054 1.00 0.00 C ATOM 0 H THR A 105 -0.310 4.722 -5.968 1.00 0.00 H new ATOM 0 HA THR A 105 -2.404 6.497 -4.987 1.00 0.00 H new ATOM 0 HB THR A 105 -1.423 7.017 -7.148 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.397 6.954 -8.415 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.633 5.485 -9.072 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.639 4.782 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.320 4.242 -8.000 1.00 0.00 H new ATOM 230 N LEU A 106 -4.393 4.969 -5.038 1.00 0.00 N ATOM 231 CA LEU A 106 -5.494 4.029 -4.865 1.00 0.00 C ATOM 232 C LEU A 106 -6.831 4.690 -5.176 1.00 0.00 C ATOM 233 O LEU A 106 -7.167 5.732 -4.612 1.00 0.00 O ATOM 234 CB LEU A 106 -5.515 3.483 -3.433 1.00 0.00 C ATOM 235 CG LEU A 106 -6.702 2.571 -3.099 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.819 1.443 -4.113 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.564 2.013 -1.690 1.00 0.00 C ATOM 0 H LEU A 106 -4.609 5.927 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.339 3.206 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.592 2.930 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.518 4.325 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.614 3.166 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.668 0.809 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.968 1.862 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.906 0.848 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.415 1.368 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.642 1.436 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.536 2.835 -0.974 1.00 0.00 H new ATOM 249 N GLU A 107 -7.595 4.070 -6.069 1.00 0.00 N ATOM 250 CA GLU A 107 -8.902 4.591 -6.443 1.00 0.00 C ATOM 251 C GLU A 107 -9.899 4.357 -5.315 1.00 0.00 C ATOM 252 O GLU A 107 -10.082 3.225 -4.866 1.00 0.00 O ATOM 253 CB GLU A 107 -9.394 3.922 -7.728 1.00 0.00 C ATOM 254 CG GLU A 107 -10.736 4.446 -8.215 1.00 0.00 C ATOM 255 CD GLU A 107 -10.693 5.919 -8.569 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.922 6.289 -9.479 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.431 6.703 -7.935 1.00 0.00 O ATOM 0 H GLU A 107 -7.331 3.208 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.814 5.663 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.651 4.069 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.472 2.848 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -11.049 3.875 -9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.487 4.284 -7.442 1.00 0.00 H new ATOM 264 N ASN A 108 -10.536 5.428 -4.855 1.00 0.00 N ATOM 265 CA ASN A 108 -11.508 5.329 -3.773 1.00 0.00 C ATOM 266 C ASN A 108 -10.875 4.684 -2.542 1.00 0.00 C ATOM 267 O ASN A 108 -11.433 3.752 -1.961 1.00 0.00 O ATOM 268 CB ASN A 108 -12.727 4.522 -4.223 1.00 0.00 C ATOM 269 CG ASN A 108 -13.412 5.134 -5.431 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.501 4.366 -6.511 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -13.855 6.280 -5.392 1.00 0.00 N flip ATOM 0 H ASN A 108 -10.397 6.373 -5.214 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.833 6.336 -3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.418 3.504 -4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.439 4.455 -3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.764 6.833 -4.540 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -14.314 6.678 -6.212 1.00 0.00 H new ATOM 278 N GLY A 109 -9.705 5.182 -2.151 1.00 0.00 N ATOM 279 CA GLY A 109 -9.017 4.636 -0.996 1.00 0.00 C ATOM 280 C GLY A 109 -7.824 5.467 -0.574 1.00 0.00 C ATOM 281 O GLY A 109 -7.161 6.092 -1.402 1.00 0.00 O ATOM 0 H GLY A 109 -9.222 5.953 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.716 4.564 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.686 3.622 -1.222 1.00 0.00 H new ATOM 285 N LYS A 110 -7.557 5.465 0.723 1.00 0.00 N ATOM 286 CA LYS A 110 -6.439 6.213 1.287 1.00 0.00 C ATOM 287 C LYS A 110 -5.275 5.283 1.606 1.00 0.00 C ATOM 288 O LYS A 110 -5.475 4.176 2.107 1.00 0.00 O ATOM 289 CB LYS A 110 -6.875 6.953 2.554 1.00 0.00 C ATOM 290 CG LYS A 110 -8.008 7.941 2.322 1.00 0.00 C ATOM 291 CD LYS A 110 -8.399 8.657 3.605 1.00 0.00 C ATOM 292 CE LYS A 110 -7.253 9.492 4.155 1.00 0.00 C ATOM 293 NZ LYS A 110 -7.638 10.219 5.395 1.00 0.00 N ATOM 0 H LYS A 110 -8.104 4.949 1.412 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.112 6.942 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.187 6.224 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.018 7.486 2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.705 8.674 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.874 7.415 1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.259 9.299 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.706 7.924 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.401 8.845 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.932 10.209 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.829 10.776 5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.435 10.856 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.920 9.534 6.125 1.00 0.00 H new ATOM 307 N VAL A 111 -4.061 5.732 1.310 1.00 0.00 N ATOM 308 CA VAL A 111 -2.874 4.928 1.563 1.00 0.00 C ATOM 309 C VAL A 111 -2.015 5.530 2.674 1.00 0.00 C ATOM 310 O VAL A 111 -1.519 6.650 2.552 1.00 0.00 O ATOM 311 CB VAL A 111 -2.021 4.784 0.288 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.806 3.909 0.550 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.857 4.216 -0.849 1.00 0.00 C ATOM 0 H VAL A 111 -3.874 6.645 0.896 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.221 3.944 1.879 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.670 5.774 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.218 3.821 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.196 4.359 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.132 2.919 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.240 4.121 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.239 3.235 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.693 4.885 -1.055 1.00 0.00 H new ATOM 323 N PHE A 112 -1.832 4.766 3.750 1.00 0.00 N ATOM 324 CA PHE A 112 -1.016 5.205 4.878 1.00 0.00 C ATOM 325 C PHE A 112 0.456 4.934 4.601 1.00 0.00 C ATOM 326 O PHE A 112 1.106 4.170 5.318 1.00 0.00 O ATOM 327 CB PHE A 112 -1.450 4.501 6.169 1.00 0.00 C ATOM 328 CG PHE A 112 -2.766 4.982 6.716 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.878 5.098 5.896 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.887 5.322 8.053 1.00 0.00 C ATOM 331 CE1 PHE A 112 -5.085 5.543 6.402 1.00 0.00 C ATOM 332 CE2 PHE A 112 -4.091 5.768 8.563 1.00 0.00 C ATOM 333 CZ PHE A 112 -5.192 5.878 7.737 1.00 0.00 C ATOM 0 H PHE A 112 -2.240 3.838 3.863 1.00 0.00 H new ATOM 0 HA PHE A 112 -1.159 6.278 5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.516 3.429 5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.679 4.645 6.926 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.800 4.838 4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -2.030 5.237 8.705 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.944 5.629 5.753 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.171 6.031 9.608 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.134 6.225 8.134 1.00 0.00 H new ATOM 343 N LEU A 113 0.965 5.545 3.537 1.00 0.00 N ATOM 344 CA LEU A 113 2.353 5.364 3.128 1.00 0.00 C ATOM 345 C LEU A 113 3.333 5.789 4.216 1.00 0.00 C ATOM 346 O LEU A 113 3.094 6.740 4.960 1.00 0.00 O ATOM 347 CB LEU A 113 2.640 6.153 1.848 1.00 0.00 C ATOM 348 CG LEU A 113 4.077 6.044 1.323 1.00 0.00 C ATOM 349 CD1 LEU A 113 4.394 4.609 0.928 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.286 6.980 0.144 1.00 0.00 C ATOM 0 H LEU A 113 0.432 6.175 2.938 1.00 0.00 H new ATOM 0 HA LEU A 113 2.494 4.299 2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.959 5.811 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.415 7.204 2.030 1.00 0.00 H new ATOM 0 HG LEU A 113 4.758 6.339 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.418 4.551 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 113 4.285 3.960 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.707 4.287 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.311 6.889 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.596 6.716 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.101 8.007 0.458 1.00 0.00 H new ATOM 362 N THR A 114 4.448 5.074 4.274 1.00 0.00 N ATOM 363 CA THR A 114 5.512 5.343 5.229 1.00 0.00 C ATOM 364 C THR A 114 6.804 4.728 4.703 1.00 0.00 C ATOM 365 O THR A 114 7.468 3.939 5.380 1.00 0.00 O ATOM 366 CB THR A 114 5.188 4.780 6.630 1.00 0.00 C ATOM 367 OG1 THR A 114 3.894 5.230 7.050 1.00 0.00 O ATOM 368 CG2 THR A 114 6.229 5.222 7.650 1.00 0.00 C ATOM 0 H THR A 114 4.640 4.286 3.655 1.00 0.00 H new ATOM 0 HA THR A 114 5.618 6.423 5.336 1.00 0.00 H new ATOM 0 HB THR A 114 5.199 3.692 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.669 6.061 6.581 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.977 4.812 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.212 4.861 7.347 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.244 6.310 7.706 1.00 0.00 H new ATOM 376 N GLY A 115 7.130 5.091 3.466 1.00 0.00 N ATOM 377 CA GLY A 115 8.311 4.587 2.807 1.00 0.00 C ATOM 378 C GLY A 115 8.407 5.104 1.388 1.00 0.00 C ATOM 379 O GLY A 115 7.676 4.658 0.504 1.00 0.00 O ATOM 0 H GLY A 115 6.581 5.740 2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.198 4.885 3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.290 3.497 2.799 1.00 0.00 H new ATOM 383 N GLY A 116 9.304 6.055 1.178 1.00 0.00 N ATOM 384 CA GLY A 116 9.483 6.634 -0.140 1.00 0.00 C ATOM 385 C GLY A 116 10.793 7.387 -0.278 1.00 0.00 C ATOM 386 O GLY A 116 11.195 8.116 0.631 1.00 0.00 O ATOM 0 H GLY A 116 9.915 6.439 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.444 5.842 -0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.656 7.312 -0.350 1.00 0.00 H new ATOM 390 N ASP A 117 11.453 7.207 -1.423 1.00 0.00 N ATOM 391 CA ASP A 117 12.729 7.864 -1.710 1.00 0.00 C ATOM 392 C ASP A 117 13.865 7.238 -0.897 1.00 0.00 C ATOM 393 O ASP A 117 14.729 7.940 -0.370 1.00 0.00 O ATOM 394 CB ASP A 117 12.635 9.370 -1.432 1.00 0.00 C ATOM 395 CG ASP A 117 13.749 10.163 -2.091 1.00 0.00 C ATOM 396 OD1 ASP A 117 14.931 9.911 -1.778 1.00 0.00 O ATOM 397 OD2 ASP A 117 13.436 11.040 -2.924 1.00 0.00 O ATOM 0 H ASP A 117 11.120 6.604 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 117 12.951 7.720 -2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 117 11.673 9.740 -1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 117 12.664 9.538 -0.355 1.00 0.00 H new ATOM 402 N LEU A 118 13.862 5.909 -0.812 1.00 0.00 N ATOM 403 CA LEU A 118 14.894 5.177 -0.081 1.00 0.00 C ATOM 404 C LEU A 118 15.343 3.946 -0.863 1.00 0.00 C ATOM 405 O LEU A 118 14.565 3.369 -1.621 1.00 0.00 O ATOM 406 CB LEU A 118 14.406 4.753 1.311 1.00 0.00 C ATOM 407 CG LEU A 118 14.435 5.844 2.387 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.375 6.900 2.120 1.00 0.00 C ATOM 409 CD2 LEU A 118 14.238 5.233 3.767 1.00 0.00 C ATOM 0 H LEU A 118 13.153 5.315 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 118 15.741 5.852 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.384 4.385 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.017 3.917 1.651 1.00 0.00 H new ATOM 0 HG LEU A 118 15.411 6.327 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.417 7.662 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.557 7.361 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.389 6.435 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 118 14.261 6.021 4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 118 13.276 4.723 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.036 4.518 3.965 1.00 0.00 H new ATOM 421 N PRO A 119 16.615 3.534 -0.692 1.00 0.00 N ATOM 422 CA PRO A 119 17.179 2.370 -1.388 1.00 0.00 C ATOM 423 C PRO A 119 16.243 1.165 -1.380 1.00 0.00 C ATOM 424 O PRO A 119 16.292 0.330 -0.476 1.00 0.00 O ATOM 425 CB PRO A 119 18.444 2.073 -0.586 1.00 0.00 C ATOM 426 CG PRO A 119 18.873 3.401 -0.068 1.00 0.00 C ATOM 427 CD PRO A 119 17.608 4.177 0.191 1.00 0.00 C ATOM 0 HA PRO A 119 17.357 2.572 -2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.245 1.375 0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.215 1.622 -1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.458 3.293 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.505 3.916 -0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.310 4.119 1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.731 5.234 -0.047 1.00 0.00 H new ATOM 435 N ALA A 120 15.394 1.086 -2.402 1.00 0.00 N ATOM 436 CA ALA A 120 14.439 -0.007 -2.537 1.00 0.00 C ATOM 437 C ALA A 120 13.547 -0.133 -1.306 1.00 0.00 C ATOM 438 O ALA A 120 12.853 -1.136 -1.136 1.00 0.00 O ATOM 439 CB ALA A 120 15.170 -1.317 -2.793 1.00 0.00 C ATOM 0 H ALA A 120 15.350 1.774 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 120 13.798 0.218 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.445 -2.125 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.751 -1.236 -3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.839 -1.530 -1.959 1.00 0.00 H new ATOM 445 N LEU A 121 13.563 0.890 -0.456 1.00 0.00 N ATOM 446 CA LEU A 121 12.746 0.889 0.753 1.00 0.00 C ATOM 447 C LEU A 121 12.921 -0.400 1.545 1.00 0.00 C ATOM 448 O LEU A 121 11.962 -1.139 1.762 1.00 0.00 O ATOM 449 CB LEU A 121 11.275 1.094 0.399 1.00 0.00 C ATOM 450 CG LEU A 121 10.903 2.526 0.015 1.00 0.00 C ATOM 451 CD1 LEU A 121 9.470 2.585 -0.487 1.00 0.00 C ATOM 452 CD2 LEU A 121 11.099 3.457 1.201 1.00 0.00 C ATOM 0 H LEU A 121 14.131 1.728 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 121 13.081 1.715 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.019 0.432 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 121 10.665 0.791 1.250 1.00 0.00 H new ATOM 0 HG LEU A 121 11.559 2.854 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 121 9.221 3.611 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 121 9.365 1.944 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.795 2.242 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.830 4.474 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.465 3.134 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.143 3.432 1.514 1.00 0.00 H new ATOM 464 N ASP A 122 14.151 -0.661 1.972 1.00 0.00 N ATOM 465 CA ASP A 122 14.453 -1.862 2.746 1.00 0.00 C ATOM 466 C ASP A 122 13.971 -1.702 4.189 1.00 0.00 C ATOM 467 O ASP A 122 14.682 -2.028 5.139 1.00 0.00 O ATOM 468 CB ASP A 122 15.958 -2.149 2.710 1.00 0.00 C ATOM 469 CG ASP A 122 16.304 -3.552 3.178 1.00 0.00 C ATOM 470 OD1 ASP A 122 15.992 -3.892 4.338 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.890 -4.313 2.380 1.00 0.00 O ATOM 0 H ASP A 122 14.955 -0.059 1.796 1.00 0.00 H new ATOM 0 HA ASP A 122 13.927 -2.707 2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.325 -2.010 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.476 -1.424 3.338 1.00 0.00 H new ATOM 476 N GLY A 123 12.751 -1.194 4.342 1.00 0.00 N ATOM 477 CA GLY A 123 12.180 -0.995 5.660 1.00 0.00 C ATOM 478 C GLY A 123 10.942 -0.120 5.620 1.00 0.00 C ATOM 479 O GLY A 123 10.595 0.525 6.610 1.00 0.00 O ATOM 0 H GLY A 123 12.145 -0.915 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.926 -1.962 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.925 -0.539 6.312 1.00 0.00 H new ATOM 483 N ALA A 124 10.275 -0.105 4.470 1.00 0.00 N ATOM 484 CA ALA A 124 9.064 0.688 4.292 1.00 0.00 C ATOM 485 C ALA A 124 7.841 -0.062 4.801 1.00 0.00 C ATOM 486 O ALA A 124 7.823 -1.291 4.825 1.00 0.00 O ATOM 487 CB ALA A 124 8.884 1.062 2.829 1.00 0.00 C ATOM 0 H ALA A 124 10.554 -0.635 3.645 1.00 0.00 H new ATOM 0 HA ALA A 124 9.170 1.602 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.976 1.653 2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.742 1.645 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.805 0.156 2.229 1.00 0.00 H new ATOM 493 N ARG A 125 6.821 0.684 5.209 1.00 0.00 N ATOM 494 CA ARG A 125 5.594 0.082 5.717 1.00 0.00 C ATOM 495 C ARG A 125 4.405 0.997 5.456 1.00 0.00 C ATOM 496 O ARG A 125 4.513 2.215 5.568 1.00 0.00 O ATOM 497 CB ARG A 125 5.737 -0.212 7.216 1.00 0.00 C ATOM 498 CG ARG A 125 4.543 -0.925 7.835 1.00 0.00 C ATOM 499 CD ARG A 125 3.421 0.042 8.182 1.00 0.00 C ATOM 500 NE ARG A 125 3.865 1.083 9.108 1.00 0.00 N ATOM 501 CZ ARG A 125 4.322 0.839 10.334 1.00 0.00 C ATOM 502 NH1 ARG A 125 4.377 -0.404 10.793 1.00 0.00 N ATOM 503 NH2 ARG A 125 4.722 1.842 11.104 1.00 0.00 N ATOM 0 H ARG A 125 6.819 1.704 5.198 1.00 0.00 H new ATOM 0 HA ARG A 125 5.418 -0.858 5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.628 -0.820 7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.897 0.728 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.171 -1.679 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 125 4.861 -1.450 8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 125 3.045 0.504 7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 125 2.591 -0.509 8.626 1.00 0.00 H new ATOM 0 HE ARG A 125 3.822 2.053 8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.068 -1.179 10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.728 -0.585 11.733 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.679 2.800 10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 125 5.072 1.655 12.044 1.00 0.00 H new ATOM 517 N VAL A 126 3.272 0.406 5.089 1.00 0.00 N ATOM 518 CA VAL A 126 2.074 1.181 4.797 1.00 0.00 C ATOM 519 C VAL A 126 0.803 0.398 5.081 1.00 0.00 C ATOM 520 O VAL A 126 0.753 -0.827 4.932 1.00 0.00 O ATOM 521 CB VAL A 126 2.052 1.652 3.335 1.00 0.00 C ATOM 522 CG1 VAL A 126 2.476 0.528 2.407 1.00 0.00 C ATOM 523 CG2 VAL A 126 0.683 2.189 2.948 1.00 0.00 C ATOM 0 H VAL A 126 3.160 -0.603 4.987 1.00 0.00 H new ATOM 0 HA VAL A 126 2.107 2.048 5.457 1.00 0.00 H new ATOM 0 HB VAL A 126 2.766 2.469 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 126 2.454 0.880 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.487 0.209 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.792 -0.313 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 126 0.700 2.514 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -0.064 1.404 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.429 3.034 3.588 1.00 0.00 H new ATOM 533 N GLU A 127 -0.225 1.135 5.479 1.00 0.00 N ATOM 534 CA GLU A 127 -1.526 0.551 5.781 1.00 0.00 C ATOM 535 C GLU A 127 -2.571 1.013 4.772 1.00 0.00 C ATOM 536 O GLU A 127 -2.859 2.205 4.663 1.00 0.00 O ATOM 537 CB GLU A 127 -1.968 0.935 7.195 1.00 0.00 C ATOM 538 CG GLU A 127 -1.030 0.438 8.280 1.00 0.00 C ATOM 539 CD GLU A 127 -1.425 0.924 9.661 1.00 0.00 C ATOM 540 OE1 GLU A 127 -2.550 0.605 10.103 1.00 0.00 O ATOM 541 OE2 GLU A 127 -0.614 1.625 10.299 1.00 0.00 O ATOM 0 H GLU A 127 -0.183 2.147 5.601 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.433 -0.533 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.044 2.020 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.965 0.534 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.017 -0.652 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.016 0.770 8.058 1.00 0.00 H new ATOM 548 N PHE A 128 -3.133 0.063 4.039 1.00 0.00 N ATOM 549 CA PHE A 128 -4.146 0.369 3.035 1.00 0.00 C ATOM 550 C PHE A 128 -5.545 0.354 3.644 1.00 0.00 C ATOM 551 O PHE A 128 -5.836 -0.440 4.538 1.00 0.00 O ATOM 552 CB PHE A 128 -4.076 -0.625 1.872 1.00 0.00 C ATOM 553 CG PHE A 128 -2.785 -0.571 1.103 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.584 -0.907 1.707 1.00 0.00 C ATOM 555 CD2 PHE A 128 -2.777 -0.192 -0.231 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.399 -0.863 0.997 1.00 0.00 C ATOM 557 CE2 PHE A 128 -1.594 -0.146 -0.945 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.404 -0.482 -0.330 1.00 0.00 C ATOM 0 H PHE A 128 -2.905 -0.928 4.120 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.942 1.371 2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.215 -1.634 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.903 -0.430 1.189 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.574 -1.207 2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -3.705 0.070 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.530 -1.127 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -1.600 0.152 -1.983 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.521 -0.447 -0.886 1.00 0.00 H new ATOM 568 N ARG A 129 -6.409 1.230 3.143 1.00 0.00 N ATOM 569 CA ARG A 129 -7.782 1.315 3.626 1.00 0.00 C ATOM 570 C ARG A 129 -8.668 2.001 2.593 1.00 0.00 C ATOM 571 O ARG A 129 -8.261 2.972 1.953 1.00 0.00 O ATOM 572 CB ARG A 129 -7.837 2.048 4.975 1.00 0.00 C ATOM 573 CG ARG A 129 -7.347 3.488 4.935 1.00 0.00 C ATOM 574 CD ARG A 129 -8.428 4.443 4.452 1.00 0.00 C ATOM 575 NE ARG A 129 -9.611 4.408 5.308 1.00 0.00 N ATOM 576 CZ ARG A 129 -10.700 5.138 5.091 1.00 0.00 C ATOM 577 NH1 ARG A 129 -10.759 5.959 4.051 1.00 0.00 N ATOM 578 NH2 ARG A 129 -11.735 5.046 5.916 1.00 0.00 N ATOM 0 H ARG A 129 -6.182 1.892 2.401 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.160 0.304 3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -8.865 2.038 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.239 1.495 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -7.017 3.787 5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.481 3.558 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.030 5.457 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.711 4.184 3.432 1.00 0.00 H new ATOM 0 HE ARG A 129 -9.601 3.788 6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -9.966 6.032 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -11.597 6.517 3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -11.695 4.415 6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -12.571 5.606 5.750 1.00 0.00 H new ATOM 592 N CYS A 130 -9.873 1.474 2.417 1.00 0.00 N ATOM 593 CA CYS A 130 -10.814 2.017 1.444 1.00 0.00 C ATOM 594 C CYS A 130 -11.689 3.107 2.054 1.00 0.00 C ATOM 595 O CYS A 130 -12.070 3.032 3.222 1.00 0.00 O ATOM 596 CB CYS A 130 -11.681 0.895 0.880 1.00 0.00 C ATOM 597 SG CYS A 130 -10.722 -0.438 0.096 1.00 0.00 S ATOM 0 H CYS A 130 -10.223 0.669 2.937 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.239 2.472 0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.284 0.473 1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.372 1.313 0.148 1.00 0.00 H new ATOM 602 N ASP A 131 -12.003 4.118 1.247 1.00 0.00 N ATOM 603 CA ASP A 131 -12.835 5.233 1.690 1.00 0.00 C ATOM 604 C ASP A 131 -14.154 4.729 2.269 1.00 0.00 C ATOM 605 O ASP A 131 -14.561 3.598 2.003 1.00 0.00 O ATOM 606 CB ASP A 131 -13.118 6.180 0.520 1.00 0.00 C ATOM 607 CG ASP A 131 -14.045 5.569 -0.513 1.00 0.00 C ATOM 608 OD1 ASP A 131 -13.693 4.512 -1.076 1.00 0.00 O ATOM 609 OD2 ASP A 131 -15.124 6.148 -0.756 1.00 0.00 O ATOM 0 H ASP A 131 -11.692 4.187 0.278 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.293 5.771 2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.561 7.100 0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.177 6.453 0.042 1.00 0.00 H new ATOM 614 N PRO A 132 -14.845 5.565 3.067 1.00 0.00 N ATOM 615 CA PRO A 132 -16.126 5.204 3.676 1.00 0.00 C ATOM 616 C PRO A 132 -17.055 4.529 2.675 1.00 0.00 C ATOM 617 O PRO A 132 -16.979 4.796 1.475 1.00 0.00 O ATOM 618 CB PRO A 132 -16.709 6.551 4.141 1.00 0.00 C ATOM 619 CG PRO A 132 -15.776 7.602 3.627 1.00 0.00 C ATOM 620 CD PRO A 132 -14.450 6.928 3.431 1.00 0.00 C ATOM 0 HA PRO A 132 -16.007 4.488 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.716 6.697 3.749 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.781 6.591 5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.141 8.022 2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.692 8.427 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.863 7.405 2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.845 6.948 4.338 1.00 0.00 H new ATOM 628 N ASP A 133 -17.911 3.638 3.177 1.00 0.00 N ATOM 629 CA ASP A 133 -18.850 2.890 2.339 1.00 0.00 C ATOM 630 C ASP A 133 -18.151 1.706 1.675 1.00 0.00 C ATOM 631 O ASP A 133 -18.767 0.669 1.437 1.00 0.00 O ATOM 632 CB ASP A 133 -19.491 3.790 1.277 1.00 0.00 C ATOM 633 CG ASP A 133 -20.484 3.041 0.410 1.00 0.00 C ATOM 634 OD1 ASP A 133 -21.479 2.520 0.958 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.268 2.975 -0.819 1.00 0.00 O ATOM 0 H ASP A 133 -17.973 3.415 4.170 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.643 2.514 2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -19.996 4.623 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.711 4.216 0.646 1.00 0.00 H new ATOM 640 N PHE A 134 -16.861 1.862 1.388 1.00 0.00 N ATOM 641 CA PHE A 134 -16.081 0.794 0.766 1.00 0.00 C ATOM 642 C PHE A 134 -15.094 0.207 1.773 1.00 0.00 C ATOM 643 O PHE A 134 -14.391 0.944 2.463 1.00 0.00 O ATOM 644 CB PHE A 134 -15.322 1.312 -0.460 1.00 0.00 C ATOM 645 CG PHE A 134 -16.189 2.019 -1.465 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.703 3.277 -1.194 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.490 1.425 -2.680 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.500 3.929 -2.115 1.00 0.00 C ATOM 649 CE2 PHE A 134 -17.287 2.072 -3.605 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.792 3.326 -3.322 1.00 0.00 C ATOM 0 H PHE A 134 -16.334 2.715 1.575 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.772 0.016 0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.539 1.994 -0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.827 0.473 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.478 3.754 -0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -16.097 0.445 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.894 4.909 -1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -17.515 1.598 -4.548 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.414 3.834 -4.044 1.00 0.00 H new ATOM 660 N HIS A 135 -15.046 -1.120 1.858 1.00 0.00 N ATOM 661 CA HIS A 135 -14.143 -1.789 2.789 1.00 0.00 C ATOM 662 C HIS A 135 -12.993 -2.484 2.067 1.00 0.00 C ATOM 663 O HIS A 135 -13.144 -2.966 0.944 1.00 0.00 O ATOM 664 CB HIS A 135 -14.901 -2.801 3.650 1.00 0.00 C ATOM 665 CG HIS A 135 -15.734 -3.764 2.866 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.244 -4.512 1.816 1.00 0.00 N ATOM 667 CD2 HIS A 135 -17.034 -4.108 2.994 1.00 0.00 C ATOM 668 CE1 HIS A 135 -16.211 -5.273 1.331 1.00 0.00 C ATOM 669 NE2 HIS A 135 -17.306 -5.047 2.030 1.00 0.00 N ATOM 0 H HIS A 135 -15.619 -1.750 1.296 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.721 -1.017 3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.184 -3.361 4.250 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.545 -2.261 4.345 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -17.731 -3.717 3.720 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.119 -5.962 0.504 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -18.209 -5.497 1.879 1.00 0.00 H new ATOM 678 N LEU A 136 -11.844 -2.532 2.735 1.00 0.00 N ATOM 679 CA LEU A 136 -10.650 -3.169 2.185 1.00 0.00 C ATOM 680 C LEU A 136 -10.754 -4.686 2.347 1.00 0.00 C ATOM 681 O LEU A 136 -11.025 -5.181 3.441 1.00 0.00 O ATOM 682 CB LEU A 136 -9.398 -2.639 2.901 1.00 0.00 C ATOM 683 CG LEU A 136 -8.055 -2.889 2.197 1.00 0.00 C ATOM 684 CD1 LEU A 136 -7.801 -4.373 2.002 1.00 0.00 C ATOM 685 CD2 LEU A 136 -8.002 -2.163 0.865 1.00 0.00 C ATOM 0 H LEU A 136 -11.714 -2.134 3.665 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.571 -2.933 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.515 -1.565 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.354 -3.090 3.892 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.268 -2.494 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -6.843 -4.516 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.781 -4.869 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.596 -4.801 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.043 -2.354 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -8.807 -2.521 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.118 -1.092 1.030 1.00 0.00 H new ATOM 697 N VAL A 137 -10.544 -5.419 1.256 1.00 0.00 N ATOM 698 CA VAL A 137 -10.625 -6.877 1.292 1.00 0.00 C ATOM 699 C VAL A 137 -9.428 -7.524 0.598 1.00 0.00 C ATOM 700 O VAL A 137 -9.589 -8.257 -0.379 1.00 0.00 O ATOM 701 CB VAL A 137 -11.921 -7.380 0.628 1.00 0.00 C ATOM 702 CG1 VAL A 137 -12.091 -8.878 0.840 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.124 -6.622 1.163 1.00 0.00 C ATOM 0 H VAL A 137 -10.318 -5.030 0.341 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.623 -7.164 2.344 1.00 0.00 H new ATOM 0 HB VAL A 137 -11.849 -7.196 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -13.013 -9.211 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.244 -9.406 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -12.138 -9.091 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -14.030 -6.991 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.198 -6.771 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.008 -5.559 0.951 1.00 0.00 H new ATOM 713 N GLY A 138 -8.225 -7.255 1.094 1.00 0.00 N ATOM 714 CA GLY A 138 -7.045 -7.833 0.485 1.00 0.00 C ATOM 715 C GLY A 138 -5.767 -7.491 1.219 1.00 0.00 C ATOM 716 O GLY A 138 -5.699 -7.594 2.444 1.00 0.00 O ATOM 0 H GLY A 138 -8.048 -6.653 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.157 -8.917 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.969 -7.486 -0.545 1.00 0.00 H new ATOM 720 N SER A 139 -4.751 -7.096 0.460 1.00 0.00 N ATOM 721 CA SER A 139 -3.457 -6.740 1.014 1.00 0.00 C ATOM 722 C SER A 139 -3.508 -5.390 1.725 1.00 0.00 C ATOM 723 O SER A 139 -2.792 -4.457 1.358 1.00 0.00 O ATOM 724 CB SER A 139 -2.423 -6.704 -0.104 1.00 0.00 C ATOM 725 OG SER A 139 -2.294 -7.974 -0.720 1.00 0.00 O ATOM 0 H SER A 139 -4.805 -7.015 -0.555 1.00 0.00 H new ATOM 0 HA SER A 139 -3.178 -7.492 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.713 -5.963 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.459 -6.391 0.298 1.00 0.00 H new ATOM 0 HG SER A 139 -2.028 -7.858 -1.656 1.00 0.00 H new ATOM 731 N SER A 140 -4.358 -5.294 2.740 1.00 0.00 N ATOM 732 CA SER A 140 -4.504 -4.063 3.505 1.00 0.00 C ATOM 733 C SER A 140 -3.200 -3.695 4.210 1.00 0.00 C ATOM 734 O SER A 140 -3.110 -2.659 4.868 1.00 0.00 O ATOM 735 CB SER A 140 -5.633 -4.216 4.525 1.00 0.00 C ATOM 736 OG SER A 140 -5.826 -3.019 5.259 1.00 0.00 O ATOM 0 H SER A 140 -4.958 -6.057 3.053 1.00 0.00 H new ATOM 0 HA SER A 140 -4.751 -3.257 2.814 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.557 -4.484 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 140 -5.400 -5.032 5.209 1.00 0.00 H new ATOM 0 HG SER A 140 -5.759 -2.250 4.655 1.00 0.00 H new ATOM 742 N ARG A 141 -2.190 -4.549 4.065 1.00 0.00 N ATOM 743 CA ARG A 141 -0.889 -4.316 4.682 1.00 0.00 C ATOM 744 C ARG A 141 0.235 -4.730 3.734 1.00 0.00 C ATOM 745 O ARG A 141 0.186 -5.801 3.133 1.00 0.00 O ATOM 746 CB ARG A 141 -0.781 -5.091 5.997 1.00 0.00 C ATOM 747 CG ARG A 141 0.544 -4.894 6.717 1.00 0.00 C ATOM 748 CD ARG A 141 0.578 -5.653 8.033 1.00 0.00 C ATOM 749 NE ARG A 141 1.845 -5.473 8.737 1.00 0.00 N ATOM 750 CZ ARG A 141 2.111 -6.007 9.925 1.00 0.00 C ATOM 751 NH1 ARG A 141 1.199 -6.747 10.544 1.00 0.00 N ATOM 752 NH2 ARG A 141 3.288 -5.800 10.499 1.00 0.00 N ATOM 0 H ARG A 141 -2.249 -5.411 3.523 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.792 -3.251 4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -1.592 -4.783 6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -0.920 -6.153 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 141 1.360 -5.232 6.079 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.704 -3.832 6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.241 -5.314 8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 141 0.416 -6.714 7.844 1.00 0.00 H new ATOM 0 HE ARG A 141 2.566 -4.906 8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.291 -6.907 10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 141 1.406 -7.155 11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 141 3.991 -5.230 10.029 1.00 0.00 H new ATOM 0 HH22 ARG A 141 3.490 -6.211 11.411 1.00 0.00 H new ATOM 766 N SER A 142 1.244 -3.873 3.604 1.00 0.00 N ATOM 767 CA SER A 142 2.380 -4.147 2.723 1.00 0.00 C ATOM 768 C SER A 142 3.659 -3.539 3.294 1.00 0.00 C ATOM 769 O SER A 142 3.666 -2.388 3.730 1.00 0.00 O ATOM 770 CB SER A 142 2.113 -3.580 1.328 1.00 0.00 C ATOM 771 OG SER A 142 0.967 -4.177 0.745 1.00 0.00 O ATOM 0 H SER A 142 1.300 -2.982 4.097 1.00 0.00 H new ATOM 0 HA SER A 142 2.508 -5.227 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 142 1.972 -2.501 1.392 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.980 -3.751 0.690 1.00 0.00 H new ATOM 0 HG SER A 142 0.980 -5.142 0.913 1.00 0.00 H new ATOM 777 N VAL A 143 4.737 -4.318 3.294 1.00 0.00 N ATOM 778 CA VAL A 143 6.015 -3.848 3.820 1.00 0.00 C ATOM 779 C VAL A 143 7.144 -4.075 2.819 1.00 0.00 C ATOM 780 O VAL A 143 7.398 -5.202 2.398 1.00 0.00 O ATOM 781 CB VAL A 143 6.366 -4.560 5.145 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.745 -4.144 5.636 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.307 -4.274 6.200 1.00 0.00 C ATOM 0 H VAL A 143 4.752 -5.273 2.937 1.00 0.00 H new ATOM 0 HA VAL A 143 5.910 -2.778 4.002 1.00 0.00 H new ATOM 0 HB VAL A 143 6.386 -5.634 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 143 7.969 -4.659 6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.493 -4.408 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.762 -3.067 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.570 -4.783 7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.252 -3.200 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.339 -4.633 5.851 1.00 0.00 H new ATOM 793 N CYS A 144 7.821 -2.993 2.448 1.00 0.00 N ATOM 794 CA CYS A 144 8.929 -3.070 1.502 1.00 0.00 C ATOM 795 C CYS A 144 10.238 -3.414 2.202 1.00 0.00 C ATOM 796 O CYS A 144 10.517 -2.930 3.300 1.00 0.00 O ATOM 797 CB CYS A 144 9.075 -1.753 0.733 1.00 0.00 C ATOM 798 SG CYS A 144 7.818 -1.509 -0.561 1.00 0.00 S ATOM 0 H CYS A 144 7.622 -2.052 2.788 1.00 0.00 H new ATOM 0 HA CYS A 144 8.702 -3.869 0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.021 -0.924 1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.064 -1.719 0.276 1.00 0.00 H new ATOM 803 N SER A 145 11.037 -4.249 1.549 1.00 0.00 N ATOM 804 CA SER A 145 12.326 -4.666 2.086 1.00 0.00 C ATOM 805 C SER A 145 13.122 -5.410 1.018 1.00 0.00 C ATOM 806 O SER A 145 13.907 -6.308 1.320 1.00 0.00 O ATOM 807 CB SER A 145 12.133 -5.558 3.315 1.00 0.00 C ATOM 808 OG SER A 145 11.392 -6.720 2.991 1.00 0.00 O ATOM 0 H SER A 145 10.812 -4.653 0.640 1.00 0.00 H new ATOM 0 HA SER A 145 12.880 -3.777 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 145 13.105 -5.843 3.717 1.00 0.00 H new ATOM 0 HB3 SER A 145 11.617 -5.000 4.096 1.00 0.00 H new ATOM 0 HG SER A 145 11.284 -7.273 3.793 1.00 0.00 H new ATOM 814 N GLN A 146 12.903 -5.013 -0.234 1.00 0.00 N ATOM 815 CA GLN A 146 13.582 -5.617 -1.376 1.00 0.00 C ATOM 816 C GLN A 146 13.077 -4.994 -2.675 1.00 0.00 C ATOM 817 O GLN A 146 12.979 -5.666 -3.703 1.00 0.00 O ATOM 818 CB GLN A 146 13.347 -7.130 -1.403 1.00 0.00 C ATOM 819 CG GLN A 146 11.878 -7.514 -1.473 1.00 0.00 C ATOM 820 CD GLN A 146 11.668 -9.012 -1.573 1.00 0.00 C ATOM 821 OE1 GLN A 146 11.016 -9.447 -2.644 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 12.087 -9.769 -0.697 1.00 0.00 N flip ATOM 0 H GLN A 146 12.253 -4.267 -0.484 1.00 0.00 H new ATOM 0 HA GLN A 146 14.651 -5.430 -1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.867 -7.555 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.788 -7.574 -0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 146 11.366 -7.138 -0.587 1.00 0.00 H new ATOM 0 HG3 GLN A 146 11.421 -7.029 -2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 146 12.583 -9.390 0.110 1.00 0.00 H new ATOM 0 HE22 GLN A 146 11.938 -10.775 -0.778 1.00 0.00 H new ATOM 831 N GLY A 147 12.753 -3.706 -2.615 1.00 0.00 N ATOM 832 CA GLY A 147 12.254 -3.003 -3.783 1.00 0.00 C ATOM 833 C GLY A 147 10.977 -3.617 -4.328 1.00 0.00 C ATOM 834 O GLY A 147 10.571 -3.327 -5.452 1.00 0.00 O ATOM 0 H GLY A 147 12.828 -3.134 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.071 -1.960 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.017 -3.009 -4.561 1.00 0.00 H new ATOM 838 N GLN A 148 10.344 -4.467 -3.524 1.00 0.00 N ATOM 839 CA GLN A 148 9.104 -5.124 -3.925 1.00 0.00 C ATOM 840 C GLN A 148 8.151 -5.247 -2.739 1.00 0.00 C ATOM 841 O GLN A 148 8.558 -5.650 -1.648 1.00 0.00 O ATOM 842 CB GLN A 148 9.401 -6.509 -4.504 1.00 0.00 C ATOM 843 CG GLN A 148 8.161 -7.256 -4.968 1.00 0.00 C ATOM 844 CD GLN A 148 8.485 -8.620 -5.544 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.204 -8.733 -6.537 1.00 0.00 O ATOM 846 NE2 GLN A 148 7.957 -9.667 -4.919 1.00 0.00 N ATOM 0 H GLN A 148 10.670 -4.717 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 148 8.626 -4.514 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.086 -6.402 -5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.913 -7.106 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 148 7.476 -7.373 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 148 7.643 -6.661 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 148 7.367 -9.527 -4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 148 8.142 -10.611 -5.259 1.00 0.00 H new ATOM 855 N TRP A 149 6.886 -4.902 -2.954 1.00 0.00 N ATOM 856 CA TRP A 149 5.888 -4.983 -1.894 1.00 0.00 C ATOM 857 C TRP A 149 5.633 -6.433 -1.502 1.00 0.00 C ATOM 858 O TRP A 149 5.536 -7.309 -2.362 1.00 0.00 O ATOM 859 CB TRP A 149 4.577 -4.327 -2.330 1.00 0.00 C ATOM 860 CG TRP A 149 4.738 -2.900 -2.752 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.997 -2.436 -4.009 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.677 -1.751 -1.903 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.081 -1.064 -3.996 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.890 -0.620 -2.713 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.454 -1.569 -0.537 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.889 0.674 -2.198 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.455 -0.288 -0.029 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.671 0.821 -0.856 1.00 0.00 C ATOM 0 H TRP A 149 6.529 -4.565 -3.848 1.00 0.00 H new ATOM 0 HA TRP A 149 6.278 -4.447 -1.029 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.151 -4.897 -3.156 1.00 0.00 H new ATOM 0 HB3 TRP A 149 3.863 -4.377 -1.508 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.118 -3.056 -4.885 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.257 -0.473 -4.808 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.284 -2.417 0.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.054 1.530 -2.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.286 -0.137 1.027 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.665 1.812 -0.426 1.00 0.00 H new ATOM 879 N SER A 150 5.528 -6.683 -0.200 1.00 0.00 N ATOM 880 CA SER A 150 5.286 -8.031 0.297 1.00 0.00 C ATOM 881 C SER A 150 4.006 -8.607 -0.297 1.00 0.00 C ATOM 882 O SER A 150 4.023 -9.674 -0.910 1.00 0.00 O ATOM 883 CB SER A 150 5.196 -8.030 1.825 1.00 0.00 C ATOM 884 OG SER A 150 6.417 -7.610 2.408 1.00 0.00 O ATOM 0 H SER A 150 5.607 -5.972 0.527 1.00 0.00 H new ATOM 0 HA SER A 150 6.124 -8.658 -0.009 1.00 0.00 H new ATOM 0 HB2 SER A 150 4.391 -7.369 2.144 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.946 -9.030 2.178 1.00 0.00 H new ATOM 0 HG SER A 150 6.381 -6.647 2.585 1.00 0.00 H new ATOM 890 N THR A 151 2.896 -7.898 -0.111 1.00 0.00 N ATOM 891 CA THR A 151 1.612 -8.352 -0.633 1.00 0.00 C ATOM 892 C THR A 151 1.172 -7.533 -1.848 1.00 0.00 C ATOM 893 O THR A 151 1.286 -6.307 -1.853 1.00 0.00 O ATOM 894 CB THR A 151 0.518 -8.278 0.444 1.00 0.00 C ATOM 895 OG1 THR A 151 0.380 -6.931 0.904 1.00 0.00 O ATOM 896 CG2 THR A 151 0.848 -9.190 1.615 1.00 0.00 C ATOM 0 H THR A 151 2.860 -7.013 0.394 1.00 0.00 H new ATOM 0 HA THR A 151 1.750 -9.389 -0.939 1.00 0.00 H new ATOM 0 HB THR A 151 -0.422 -8.610 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.575 -6.891 1.864 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.059 -9.120 2.364 1.00 0.00 H new ATOM 0 HG22 THR A 151 0.925 -10.219 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 151 1.796 -8.885 2.057 1.00 0.00 H new ATOM 904 N PRO A 152 0.656 -8.205 -2.896 1.00 0.00 N ATOM 905 CA PRO A 152 0.190 -7.537 -4.122 1.00 0.00 C ATOM 906 C PRO A 152 -0.863 -6.472 -3.833 1.00 0.00 C ATOM 907 O PRO A 152 -1.597 -6.566 -2.852 1.00 0.00 O ATOM 908 CB PRO A 152 -0.417 -8.677 -4.945 1.00 0.00 C ATOM 909 CG PRO A 152 0.246 -9.907 -4.435 1.00 0.00 C ATOM 910 CD PRO A 152 0.481 -9.667 -2.972 1.00 0.00 C ATOM 0 HA PRO A 152 0.998 -7.012 -4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.498 -8.727 -4.815 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.230 -8.539 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -0.382 -10.784 -4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.185 -10.090 -4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.361 -10.004 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.363 -10.198 -2.613 1.00 0.00 H new ATOM 918 N LYS A 153 -0.925 -5.456 -4.688 1.00 0.00 N ATOM 919 CA LYS A 153 -1.884 -4.367 -4.518 1.00 0.00 C ATOM 920 C LYS A 153 -3.299 -4.921 -4.325 1.00 0.00 C ATOM 921 O LYS A 153 -3.807 -5.651 -5.176 1.00 0.00 O ATOM 922 CB LYS A 153 -1.835 -3.440 -5.737 1.00 0.00 C ATOM 923 CG LYS A 153 -2.263 -2.008 -5.451 1.00 0.00 C ATOM 924 CD LYS A 153 -3.728 -1.914 -5.063 1.00 0.00 C ATOM 925 CE LYS A 153 -4.133 -0.475 -4.788 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.300 0.142 -3.719 1.00 0.00 N ATOM 0 H LYS A 153 -0.323 -5.363 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.617 -3.798 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -0.819 -3.431 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.477 -3.850 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -1.649 -1.601 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.082 -1.394 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -4.346 -2.322 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.912 -2.522 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.040 0.109 -5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -5.182 -0.443 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.843 0.891 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.033 -0.584 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.442 0.551 -4.140 1.00 0.00 H new ATOM 940 N PRO A 154 -3.950 -4.587 -3.192 1.00 0.00 N ATOM 941 CA PRO A 154 -5.306 -5.064 -2.886 1.00 0.00 C ATOM 942 C PRO A 154 -6.372 -4.446 -3.786 1.00 0.00 C ATOM 943 O PRO A 154 -6.071 -3.922 -4.858 1.00 0.00 O ATOM 944 CB PRO A 154 -5.520 -4.622 -1.434 1.00 0.00 C ATOM 945 CG PRO A 154 -4.605 -3.461 -1.251 1.00 0.00 C ATOM 946 CD PRO A 154 -3.408 -3.731 -2.118 1.00 0.00 C ATOM 0 HA PRO A 154 -5.395 -6.139 -3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -6.558 -4.340 -1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.283 -5.426 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.094 -2.531 -1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -4.313 -3.356 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.983 -2.809 -2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -2.616 -4.235 -1.564 1.00 0.00 H new ATOM 954 N HIS A 155 -7.624 -4.510 -3.335 1.00 0.00 N ATOM 955 CA HIS A 155 -8.745 -3.958 -4.087 1.00 0.00 C ATOM 956 C HIS A 155 -9.887 -3.574 -3.150 1.00 0.00 C ATOM 957 O HIS A 155 -10.076 -4.194 -2.103 1.00 0.00 O ATOM 958 CB HIS A 155 -9.237 -4.960 -5.135 1.00 0.00 C ATOM 959 CG HIS A 155 -9.748 -6.241 -4.553 1.00 0.00 C ATOM 960 ND1 HIS A 155 -8.969 -7.087 -3.792 1.00 0.00 N ATOM 961 CD2 HIS A 155 -10.969 -6.821 -4.627 1.00 0.00 C ATOM 962 CE1 HIS A 155 -9.689 -8.132 -3.424 1.00 0.00 C ATOM 963 NE2 HIS A 155 -10.905 -7.995 -3.918 1.00 0.00 N ATOM 0 H HIS A 155 -7.886 -4.941 -2.448 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.399 -3.060 -4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.030 -4.497 -5.723 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.421 -5.184 -5.822 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -11.832 -6.433 -5.147 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.341 -8.958 -2.821 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.673 -8.655 -3.793 1.00 0.00 H new ATOM 972 N CYS A 156 -10.642 -2.547 -3.527 1.00 0.00 N ATOM 973 CA CYS A 156 -11.761 -2.082 -2.714 1.00 0.00 C ATOM 974 C CYS A 156 -13.084 -2.647 -3.214 1.00 0.00 C ATOM 975 O CYS A 156 -13.320 -2.735 -4.419 1.00 0.00 O ATOM 976 CB CYS A 156 -11.817 -0.555 -2.707 1.00 0.00 C ATOM 977 SG CYS A 156 -10.444 0.222 -1.802 1.00 0.00 S ATOM 0 H CYS A 156 -10.500 -2.021 -4.389 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.601 -2.440 -1.697 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.812 -0.195 -3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.760 -0.237 -2.262 1.00 0.00 H new ATOM 982 N GLN A 157 -13.944 -3.031 -2.275 1.00 0.00 N ATOM 983 CA GLN A 157 -15.245 -3.592 -2.615 1.00 0.00 C ATOM 984 C GLN A 157 -16.356 -2.909 -1.821 1.00 0.00 C ATOM 985 O GLN A 157 -16.273 -2.786 -0.599 1.00 0.00 O ATOM 986 CB GLN A 157 -15.258 -5.098 -2.344 1.00 0.00 C ATOM 987 CG GLN A 157 -16.564 -5.776 -2.723 1.00 0.00 C ATOM 988 CD GLN A 157 -16.548 -7.267 -2.448 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.713 -7.999 -2.980 1.00 0.00 O ATOM 990 NE2 GLN A 157 -17.475 -7.726 -1.616 1.00 0.00 N ATOM 0 H GLN A 157 -13.762 -2.963 -1.274 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.424 -3.419 -3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.443 -5.565 -2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.064 -5.269 -1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.382 -5.317 -2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.763 -5.608 -3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -18.148 -7.084 -1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.515 -8.721 -1.395 1.00 0.00 H new ATOM 999 N VAL A 158 -17.393 -2.470 -2.527 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.524 -1.801 -1.896 1.00 0.00 C ATOM 1001 C VAL A 158 -19.257 -2.739 -0.941 1.00 0.00 C ATOM 1002 O VAL A 158 -19.383 -3.934 -1.208 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.518 -1.267 -2.947 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.079 -2.408 -3.781 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.637 -0.482 -2.280 1.00 0.00 C ATOM 0 H VAL A 158 -17.473 -2.566 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.121 -0.961 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.982 -0.591 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.778 -2.011 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.264 -2.919 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.597 -3.113 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.327 -0.115 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.173 -1.130 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.214 0.362 -1.735 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.735 -2.190 0.173 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.455 -2.980 1.167 1.00 0.00 C ATOM 1017 C ASN A 159 -21.634 -3.710 0.534 1.00 0.00 C ATOM 1018 O ASN A 159 -22.236 -3.154 -0.409 1.00 0.00 O ATOM 1019 CB ASN A 159 -20.951 -2.084 2.305 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.825 -1.392 3.056 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -18.587 -1.627 2.632 1.00 0.00 O flip ATOM 1022 ND2 ASN A 159 -20.067 -0.651 4.007 1.00 0.00 N flip ATOM 1023 OXT ASN A 159 -21.946 -4.832 0.984 1.00 0.00 O ATOM 0 H ASN A 159 -19.637 -1.203 0.409 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.764 -3.720 1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.625 -1.330 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -21.531 -2.685 3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -21.031 -0.497 4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -19.303 -0.190 4.502 1.00 0.00 H new TER 1030 ASN A 159