USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 257 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 12 SER OG : rot 124:sc= -1.29! USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= -1.01 F(o=-3.9,f=-2.3) USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= -0.119 USER MOD Set 2.2: B 3 ASN : amide:sc= -0.461 K(o=-0.58,f=-2.5!) USER MOD Single : A 5 GLN : amide:sc= -1.19 K(o=-1.2,f=-7.2!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0627 K(o=-0.063,f=-0.75) USER MOD Single : A 19 TYR OH : rot -179:sc= 0.0831 USER MOD Single : A 20 CYS SG : rot 180:sc= -1.82! USER MOD Single : B 4 GLN : amide:sc= -0.466 K(o=-0.47,f=-2.8!) USER MOD Single : B 5 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-10!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -6.528 2.284 3.273 1.00 0.00 N ATOM 11 CA ILE A 2 -5.112 2.483 2.874 1.00 0.00 C ATOM 12 C ILE A 2 -4.989 3.826 2.162 1.00 0.00 C ATOM 13 O ILE A 2 -4.198 4.673 2.528 1.00 0.00 O ATOM 14 CB ILE A 2 -4.689 1.362 1.919 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.478 0.086 2.233 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.199 1.089 2.092 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.258 -0.936 1.117 1.00 0.00 C ATOM 0 HA ILE A 2 -4.471 2.467 3.756 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.892 1.667 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.156 -0.328 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.539 0.316 2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.894 0.292 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.635 1.994 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.002 0.786 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.819 -1.844 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.602 -0.520 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.197 -1.174 1.045 1.00 0.00 H new ATOM 29 N VAL A 3 -5.777 4.020 1.145 1.00 0.00 N ATOM 30 CA VAL A 3 -5.737 5.296 0.390 1.00 0.00 C ATOM 31 C VAL A 3 -5.630 6.472 1.373 1.00 0.00 C ATOM 32 O VAL A 3 -4.951 7.445 1.112 1.00 0.00 O ATOM 33 CB VAL A 3 -7.021 5.401 -0.449 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.433 6.862 -0.632 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.777 4.771 -1.822 1.00 0.00 C ATOM 0 H VAL A 3 -6.455 3.339 0.802 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.870 5.325 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.822 4.876 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.344 6.911 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.613 7.314 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.636 7.404 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.684 4.843 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.967 5.298 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.506 3.723 -1.698 1.00 0.00 H new ATOM 45 N GLU A 4 -6.302 6.390 2.492 1.00 0.00 N ATOM 46 CA GLU A 4 -6.248 7.501 3.487 1.00 0.00 C ATOM 47 C GLU A 4 -4.823 8.047 3.587 1.00 0.00 C ATOM 48 O GLU A 4 -4.586 9.220 3.382 1.00 0.00 O ATOM 49 CB GLU A 4 -6.690 6.978 4.856 1.00 0.00 C ATOM 50 CG GLU A 4 -8.025 6.244 4.715 1.00 0.00 C ATOM 51 CD GLU A 4 -8.883 6.498 5.956 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.180 7.651 6.221 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.227 5.535 6.620 1.00 0.00 O ATOM 0 H GLU A 4 -6.887 5.599 2.760 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.914 8.301 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.934 6.305 5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.790 7.806 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.548 6.587 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.853 5.175 4.592 1.00 0.00 H new ATOM 60 N GLN A 5 -3.867 7.215 3.891 1.00 0.00 N ATOM 61 CA GLN A 5 -2.468 7.712 3.987 1.00 0.00 C ATOM 62 C GLN A 5 -1.689 7.264 2.754 1.00 0.00 C ATOM 63 O GLN A 5 -0.616 7.756 2.472 1.00 0.00 O ATOM 64 CB GLN A 5 -1.799 7.164 5.249 1.00 0.00 C ATOM 65 CG GLN A 5 -2.555 7.654 6.485 1.00 0.00 C ATOM 66 CD GLN A 5 -3.520 6.564 6.959 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.937 5.728 6.184 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.893 6.540 8.209 1.00 0.00 N ATOM 0 H GLN A 5 -3.993 6.220 4.076 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.476 8.801 4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.790 6.074 5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.760 7.490 5.293 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.852 7.903 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.106 8.565 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.542 7.243 8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.536 5.818 8.536 1.00 0.00 H new ATOM 77 N CYS A 6 -2.227 6.339 2.011 1.00 0.00 N ATOM 78 CA CYS A 6 -1.522 5.869 0.791 1.00 0.00 C ATOM 79 C CYS A 6 -1.972 6.706 -0.402 1.00 0.00 C ATOM 80 O CYS A 6 -1.878 6.286 -1.533 1.00 0.00 O ATOM 81 CB CYS A 6 -1.860 4.398 0.532 1.00 0.00 C ATOM 82 SG CYS A 6 -0.515 3.321 1.101 1.00 0.00 S ATOM 0 H CYS A 6 -3.124 5.889 2.197 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.446 5.973 0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.785 4.136 1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.032 4.241 -0.533 1.00 0.00 H new ATOM 87 N CYS A 7 -2.458 7.889 -0.159 1.00 0.00 N ATOM 88 CA CYS A 7 -2.911 8.754 -1.283 1.00 0.00 C ATOM 89 C CYS A 7 -3.230 10.147 -0.745 1.00 0.00 C ATOM 90 O CYS A 7 -2.989 11.146 -1.392 1.00 0.00 O ATOM 91 CB CYS A 7 -4.160 8.149 -1.924 1.00 0.00 C ATOM 92 SG CYS A 7 -4.426 8.900 -3.550 1.00 0.00 S ATOM 0 H CYS A 7 -2.562 8.296 0.771 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.124 8.824 -2.034 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.044 7.070 -2.024 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.028 8.319 -1.287 1.00 0.00 H new ATOM 97 N THR A 8 -3.758 10.221 0.445 1.00 0.00 N ATOM 98 CA THR A 8 -4.079 11.545 1.041 1.00 0.00 C ATOM 99 C THR A 8 -2.934 11.936 1.985 1.00 0.00 C ATOM 100 O THR A 8 -2.838 13.063 2.432 1.00 0.00 O ATOM 101 CB THR A 8 -5.422 11.444 1.793 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.458 11.937 0.956 1.00 0.00 O ATOM 103 CG2 THR A 8 -5.394 12.263 3.089 1.00 0.00 C ATOM 0 H THR A 8 -3.981 9.417 1.032 1.00 0.00 H new ATOM 0 HA THR A 8 -4.179 12.312 0.273 1.00 0.00 H new ATOM 0 HB THR A 8 -5.598 10.399 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.316 11.875 1.426 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.354 12.173 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.603 11.889 3.739 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.205 13.310 2.854 1.00 0.00 H new ATOM 111 N SER A 9 -2.066 11.006 2.287 1.00 0.00 N ATOM 112 CA SER A 9 -0.926 11.303 3.195 1.00 0.00 C ATOM 113 C SER A 9 0.356 10.708 2.605 1.00 0.00 C ATOM 114 O SER A 9 0.504 10.600 1.403 1.00 0.00 O ATOM 115 CB SER A 9 -1.203 10.666 4.554 1.00 0.00 C ATOM 116 OG SER A 9 -0.790 11.552 5.587 1.00 0.00 O ATOM 0 H SER A 9 -2.101 10.048 1.940 1.00 0.00 H new ATOM 0 HA SER A 9 -0.807 12.381 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.266 10.445 4.654 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.671 9.719 4.639 1.00 0.00 H new ATOM 0 HG SER A 9 -0.970 11.144 6.460 1.00 0.00 H new ATOM 122 N ILE A 10 1.280 10.314 3.438 1.00 0.00 N ATOM 123 CA ILE A 10 2.545 9.719 2.924 1.00 0.00 C ATOM 124 C ILE A 10 2.571 8.232 3.275 1.00 0.00 C ATOM 125 O ILE A 10 2.473 7.858 4.428 1.00 0.00 O ATOM 126 CB ILE A 10 3.740 10.419 3.573 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.752 11.895 3.165 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.034 9.752 3.109 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.561 12.008 1.652 1.00 0.00 C ATOM 0 H ILE A 10 1.213 10.379 4.454 1.00 0.00 H new ATOM 0 HA ILE A 10 2.600 9.844 1.843 1.00 0.00 H new ATOM 0 HB ILE A 10 3.660 10.343 4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.958 12.433 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.695 12.357 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.886 10.250 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.026 8.702 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.114 9.828 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.570 13.059 1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.370 11.484 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.607 11.562 1.371 1.00 0.00 H new ATOM 141 N CYS A 11 2.693 7.375 2.298 1.00 0.00 N ATOM 142 CA CYS A 11 2.712 5.914 2.600 1.00 0.00 C ATOM 143 C CYS A 11 4.137 5.370 2.478 1.00 0.00 C ATOM 144 O CYS A 11 4.876 5.730 1.584 1.00 0.00 O ATOM 145 CB CYS A 11 1.803 5.180 1.615 1.00 0.00 C ATOM 146 SG CYS A 11 0.456 4.379 2.521 1.00 0.00 S ATOM 0 H CYS A 11 2.780 7.620 1.312 1.00 0.00 H new ATOM 0 HA CYS A 11 2.356 5.756 3.618 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.398 5.881 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.375 4.437 1.060 1.00 0.00 H new ATOM 151 N SER A 12 4.523 4.501 3.373 1.00 0.00 N ATOM 152 CA SER A 12 5.893 3.925 3.318 1.00 0.00 C ATOM 153 C SER A 12 5.810 2.431 3.010 1.00 0.00 C ATOM 154 O SER A 12 4.752 1.831 3.065 1.00 0.00 O ATOM 155 CB SER A 12 6.573 4.121 4.668 1.00 0.00 C ATOM 156 OG SER A 12 5.585 4.372 5.658 1.00 0.00 O ATOM 0 H SER A 12 3.944 4.165 4.143 1.00 0.00 H new ATOM 0 HA SER A 12 6.466 4.425 2.537 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.150 3.234 4.930 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.274 4.954 4.618 1.00 0.00 H new ATOM 0 HG SER A 12 5.676 3.720 6.384 1.00 0.00 H new ATOM 162 N LEU A 13 6.918 1.820 2.690 1.00 0.00 N ATOM 163 CA LEU A 13 6.891 0.366 2.383 1.00 0.00 C ATOM 164 C LEU A 13 6.652 -0.426 3.668 1.00 0.00 C ATOM 165 O LEU A 13 5.861 -1.339 3.698 1.00 0.00 O ATOM 166 CB LEU A 13 8.215 -0.069 1.759 1.00 0.00 C ATOM 167 CG LEU A 13 7.978 -1.337 0.938 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.455 -1.117 -0.497 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.747 -2.504 1.560 1.00 0.00 C ATOM 0 H LEU A 13 7.835 2.263 2.629 1.00 0.00 H new ATOM 0 HA LEU A 13 6.084 0.172 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.612 0.723 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.956 -0.255 2.537 1.00 0.00 H new ATOM 0 HG LEU A 13 6.913 -1.568 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.285 -2.022 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.902 -0.290 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.519 -0.882 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.576 -3.406 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.812 -2.274 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.401 -2.665 2.581 1.00 0.00 H new ATOM 181 N TYR A 14 7.313 -0.092 4.740 1.00 0.00 N ATOM 182 CA TYR A 14 7.072 -0.864 5.989 1.00 0.00 C ATOM 183 C TYR A 14 5.588 -0.765 6.332 1.00 0.00 C ATOM 184 O TYR A 14 5.042 -1.586 7.043 1.00 0.00 O ATOM 185 CB TYR A 14 7.914 -0.304 7.143 1.00 0.00 C ATOM 186 CG TYR A 14 8.110 1.184 6.979 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.139 2.078 7.450 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.273 1.672 6.366 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.331 3.459 7.309 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.462 3.053 6.223 1.00 0.00 C ATOM 191 CZ TYR A 14 8.492 3.946 6.695 1.00 0.00 C ATOM 192 OH TYR A 14 8.680 5.306 6.556 1.00 0.00 O ATOM 0 H TYR A 14 7.994 0.664 4.807 1.00 0.00 H new ATOM 0 HA TYR A 14 7.359 -1.905 5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.422 -0.510 8.094 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.882 -0.804 7.171 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.243 1.703 7.922 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.023 0.984 6.004 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.584 4.148 7.674 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.356 3.429 5.748 1.00 0.00 H new ATOM 0 HH TYR A 14 9.536 5.474 6.110 1.00 0.00 H new ATOM 202 N GLN A 15 4.931 0.237 5.817 1.00 0.00 N ATOM 203 CA GLN A 15 3.483 0.406 6.101 1.00 0.00 C ATOM 204 C GLN A 15 2.663 -0.561 5.252 1.00 0.00 C ATOM 205 O GLN A 15 1.596 -0.984 5.650 1.00 0.00 O ATOM 206 CB GLN A 15 3.065 1.843 5.781 1.00 0.00 C ATOM 207 CG GLN A 15 2.709 2.572 7.078 1.00 0.00 C ATOM 208 CD GLN A 15 3.158 4.030 6.983 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.828 4.733 5.934 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 3.816 4.535 7.871 1.00 0.00 N flip ATOM 0 H GLN A 15 5.339 0.948 5.209 1.00 0.00 H new ATOM 0 HA GLN A 15 3.302 0.195 7.155 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.875 2.363 5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.210 1.842 5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.634 2.522 7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.193 2.086 7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.074 3.985 8.691 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.111 5.509 7.797 1.00 0.00 H new ATOM 219 N LEU A 16 3.129 -0.923 4.087 1.00 0.00 N ATOM 220 CA LEU A 16 2.328 -1.857 3.265 1.00 0.00 C ATOM 221 C LEU A 16 2.417 -3.245 3.908 1.00 0.00 C ATOM 222 O LEU A 16 1.610 -4.116 3.649 1.00 0.00 O ATOM 223 CB LEU A 16 2.837 -1.838 1.806 1.00 0.00 C ATOM 224 CG LEU A 16 3.653 -3.087 1.431 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.738 -3.338 2.464 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.723 -4.300 1.353 1.00 0.00 C ATOM 0 H LEU A 16 4.013 -0.616 3.680 1.00 0.00 H new ATOM 0 HA LEU A 16 1.280 -1.561 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.985 -1.753 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.452 -0.951 1.655 1.00 0.00 H new ATOM 0 HG LEU A 16 4.124 -2.925 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.307 -4.225 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.405 -2.477 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.281 -3.492 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.301 -5.185 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.246 -4.455 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.959 -4.125 0.596 1.00 0.00 H new ATOM 238 N GLU A 17 3.377 -3.444 4.784 1.00 0.00 N ATOM 239 CA GLU A 17 3.489 -4.757 5.469 1.00 0.00 C ATOM 240 C GLU A 17 2.308 -4.855 6.418 1.00 0.00 C ATOM 241 O GLU A 17 1.725 -5.902 6.619 1.00 0.00 O ATOM 242 CB GLU A 17 4.801 -4.821 6.254 1.00 0.00 C ATOM 243 CG GLU A 17 5.834 -5.624 5.462 1.00 0.00 C ATOM 244 CD GLU A 17 5.975 -7.021 6.071 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.028 -7.784 5.977 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.026 -7.302 6.621 1.00 0.00 O ATOM 0 H GLU A 17 4.080 -2.753 5.047 1.00 0.00 H new ATOM 0 HA GLU A 17 3.485 -5.579 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.174 -3.814 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.633 -5.284 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.528 -5.700 4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.796 -5.112 5.475 1.00 0.00 H new ATOM 253 N ASN A 18 1.936 -3.737 6.963 1.00 0.00 N ATOM 254 CA ASN A 18 0.766 -3.688 7.869 1.00 0.00 C ATOM 255 C ASN A 18 -0.486 -3.874 7.015 1.00 0.00 C ATOM 256 O ASN A 18 -1.518 -4.317 7.478 1.00 0.00 O ATOM 257 CB ASN A 18 0.736 -2.321 8.552 1.00 0.00 C ATOM 258 CG ASN A 18 1.279 -2.446 9.976 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.091 -3.306 10.256 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.861 -1.621 10.896 1.00 0.00 N ATOM 0 H ASN A 18 2.401 -2.841 6.816 1.00 0.00 H new ATOM 0 HA ASN A 18 0.818 -4.466 8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.334 -1.607 7.986 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.284 -1.936 8.573 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.216 -1.698 11.849 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.180 -0.899 10.662 1.00 0.00 H new ATOM 267 N TYR A 19 -0.381 -3.539 5.759 1.00 0.00 N ATOM 268 CA TYR A 19 -1.532 -3.687 4.830 1.00 0.00 C ATOM 269 C TYR A 19 -1.626 -5.142 4.365 1.00 0.00 C ATOM 270 O TYR A 19 -2.613 -5.560 3.795 1.00 0.00 O ATOM 271 CB TYR A 19 -1.306 -2.778 3.620 1.00 0.00 C ATOM 272 CG TYR A 19 -1.289 -1.328 4.058 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.860 -0.947 5.283 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.694 -0.362 3.236 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.833 0.396 5.681 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.668 0.981 3.637 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.238 1.359 4.858 1.00 0.00 C ATOM 278 OH TYR A 19 -1.210 2.681 5.252 1.00 0.00 O ATOM 0 H TYR A 19 0.466 -3.164 5.333 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.457 -3.410 5.335 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.363 -3.031 3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.095 -2.935 2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.320 -1.689 5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.255 -0.652 2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.272 0.688 6.624 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.208 1.725 3.003 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.774 3.220 4.559 1.00 0.00 H new ATOM 288 N CYS A 20 -0.603 -5.919 4.607 1.00 0.00 N ATOM 289 CA CYS A 20 -0.633 -7.346 4.179 1.00 0.00 C ATOM 290 C CYS A 20 -0.224 -8.241 5.351 1.00 0.00 C ATOM 291 O CYS A 20 0.870 -8.768 5.388 1.00 0.00 O ATOM 292 CB CYS A 20 0.340 -7.553 3.016 1.00 0.00 C ATOM 293 SG CYS A 20 -0.462 -7.069 1.467 1.00 0.00 S ATOM 0 H CYS A 20 0.251 -5.626 5.082 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.642 -7.606 3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.242 -6.961 3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.649 -8.597 2.967 1.00 0.00 H new ATOM 0 HG CYS A 20 0.364 -7.242 0.478 1.00 0.00 H new ATOM 352 N ASN B 3 7.681 7.403 -0.216 1.00 0.00 N ATOM 353 CA ASN B 3 6.871 8.038 0.861 1.00 0.00 C ATOM 354 C ASN B 3 5.973 9.117 0.252 1.00 0.00 C ATOM 355 O ASN B 3 5.952 10.247 0.698 1.00 0.00 O ATOM 356 CB ASN B 3 7.806 8.672 1.893 1.00 0.00 C ATOM 357 CG ASN B 3 8.381 7.582 2.801 1.00 0.00 C ATOM 358 OD1 ASN B 3 7.683 7.040 3.634 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.634 7.238 2.673 1.00 0.00 N ATOM 0 HA ASN B 3 6.253 7.283 1.347 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.613 9.204 1.389 1.00 0.00 H new ATOM 0 HB3 ASN B 3 7.263 9.407 2.488 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.028 6.513 3.273 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.219 7.694 1.973 1.00 0.00 H new ATOM 366 N GLN B 4 5.236 8.780 -0.772 1.00 0.00 N ATOM 367 CA GLN B 4 4.348 9.782 -1.416 1.00 0.00 C ATOM 368 C GLN B 4 2.931 9.215 -1.544 1.00 0.00 C ATOM 369 O GLN B 4 2.610 8.185 -0.980 1.00 0.00 O ATOM 370 CB GLN B 4 4.897 10.097 -2.808 1.00 0.00 C ATOM 371 CG GLN B 4 5.660 11.422 -2.772 1.00 0.00 C ATOM 372 CD GLN B 4 7.139 11.167 -3.066 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.601 10.044 -2.991 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.909 12.166 -3.401 1.00 0.00 N ATOM 0 H GLN B 4 5.213 7.850 -1.189 1.00 0.00 H new ATOM 0 HA GLN B 4 4.314 10.688 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.557 9.295 -3.140 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.080 10.156 -3.527 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.246 12.112 -3.507 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.548 11.892 -1.795 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.523 13.108 -3.464 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.896 12.005 -3.599 1.00 0.00 H new ATOM 383 N HIS B 5 2.085 9.885 -2.282 1.00 0.00 N ATOM 384 CA HIS B 5 0.694 9.404 -2.461 1.00 0.00 C ATOM 385 C HIS B 5 0.656 8.382 -3.601 1.00 0.00 C ATOM 386 O HIS B 5 0.659 8.733 -4.764 1.00 0.00 O ATOM 387 CB HIS B 5 -0.212 10.586 -2.805 1.00 0.00 C ATOM 388 CG HIS B 5 0.004 11.687 -1.805 1.00 0.00 C ATOM 389 ND1 HIS B 5 -0.754 11.775 -0.657 1.00 0.00 N ATOM 390 CD2 HIS B 5 0.889 12.730 -1.792 1.00 0.00 C ATOM 391 CE1 HIS B 5 -0.316 12.851 0.011 1.00 0.00 C ATOM 392 NE2 HIS B 5 0.690 13.467 -0.644 1.00 0.00 N ATOM 0 H HIS B 5 2.306 10.753 -2.771 1.00 0.00 H new ATOM 0 HA HIS B 5 0.346 8.937 -1.540 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.006 10.945 -3.811 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.256 10.273 -2.798 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.623 12.941 -2.556 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.718 13.184 0.956 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.197 14.302 -0.351 1.00 0.00 H new ATOM 400 N LEU B 6 0.633 7.120 -3.275 1.00 0.00 N ATOM 401 CA LEU B 6 0.612 6.071 -4.344 1.00 0.00 C ATOM 402 C LEU B 6 -0.827 5.641 -4.682 1.00 0.00 C ATOM 403 O LEU B 6 -1.058 4.978 -5.670 1.00 0.00 O ATOM 404 CB LEU B 6 1.427 4.842 -3.904 1.00 0.00 C ATOM 405 CG LEU B 6 1.641 4.833 -2.384 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.298 4.687 -1.663 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.546 3.658 -2.008 1.00 0.00 C ATOM 0 H LEU B 6 0.628 6.766 -2.319 1.00 0.00 H new ATOM 0 HA LEU B 6 1.060 6.504 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.909 3.932 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.393 4.843 -4.410 1.00 0.00 H new ATOM 0 HG LEU B 6 2.106 5.772 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.462 4.682 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.350 5.523 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -0.176 3.752 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.700 3.648 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.076 2.724 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.507 3.764 -2.511 1.00 0.00 H new ATOM 419 N CYS B 7 -1.791 6.014 -3.888 1.00 0.00 N ATOM 420 CA CYS B 7 -3.204 5.624 -4.179 1.00 0.00 C ATOM 421 C CYS B 7 -3.288 4.153 -4.599 1.00 0.00 C ATOM 422 O CYS B 7 -2.318 3.427 -4.571 1.00 0.00 O ATOM 423 CB CYS B 7 -3.759 6.515 -5.291 1.00 0.00 C ATOM 424 SG CYS B 7 -5.205 7.412 -4.672 1.00 0.00 S ATOM 0 H CYS B 7 -1.663 6.575 -3.046 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.796 5.755 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.996 7.218 -5.625 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.034 5.910 -6.155 1.00 0.00 H new ATOM 429 N GLY B 8 -4.459 3.706 -4.964 1.00 0.00 N ATOM 430 CA GLY B 8 -4.640 2.280 -5.364 1.00 0.00 C ATOM 431 C GLY B 8 -3.603 1.867 -6.412 1.00 0.00 C ATOM 432 O GLY B 8 -2.498 1.497 -6.081 1.00 0.00 O ATOM 0 H GLY B 8 -5.306 4.273 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.551 1.639 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.644 2.136 -5.764 1.00 0.00 H new ATOM 436 N SER B 9 -3.986 1.907 -7.666 1.00 0.00 N ATOM 437 CA SER B 9 -3.087 1.500 -8.799 1.00 0.00 C ATOM 438 C SER B 9 -1.618 1.398 -8.375 1.00 0.00 C ATOM 439 O SER B 9 -0.975 0.389 -8.586 1.00 0.00 O ATOM 440 CB SER B 9 -3.212 2.527 -9.925 1.00 0.00 C ATOM 441 OG SER B 9 -2.212 2.274 -10.905 1.00 0.00 O ATOM 0 H SER B 9 -4.913 2.214 -7.962 1.00 0.00 H new ATOM 0 HA SER B 9 -3.402 0.511 -9.131 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.203 2.470 -10.376 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.101 3.536 -9.527 1.00 0.00 H new ATOM 0 HG SER B 9 -2.290 2.930 -11.629 1.00 0.00 H new ATOM 447 N ASP B 10 -1.073 2.429 -7.794 1.00 0.00 N ATOM 448 CA ASP B 10 0.360 2.367 -7.384 1.00 0.00 C ATOM 449 C ASP B 10 0.500 1.690 -6.016 1.00 0.00 C ATOM 450 O ASP B 10 1.205 0.711 -5.874 1.00 0.00 O ATOM 451 CB ASP B 10 0.936 3.783 -7.326 1.00 0.00 C ATOM 452 CG ASP B 10 1.756 4.053 -8.590 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.731 3.350 -8.800 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.396 4.958 -9.323 1.00 0.00 O ATOM 0 H ASP B 10 -1.551 3.306 -7.586 1.00 0.00 H new ATOM 0 HA ASP B 10 0.911 1.779 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.130 4.512 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.563 3.896 -6.442 1.00 0.00 H new ATOM 459 N LEU B 11 -0.149 2.197 -5.004 1.00 0.00 N ATOM 460 CA LEU B 11 -0.020 1.564 -3.657 1.00 0.00 C ATOM 461 C LEU B 11 -0.262 0.056 -3.774 1.00 0.00 C ATOM 462 O LEU B 11 0.415 -0.736 -3.151 1.00 0.00 O ATOM 463 CB LEU B 11 -1.016 2.202 -2.677 1.00 0.00 C ATOM 464 CG LEU B 11 -2.408 1.582 -2.825 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.480 0.291 -2.016 1.00 0.00 C ATOM 466 CD2 LEU B 11 -3.450 2.568 -2.289 1.00 0.00 C ATOM 0 H LEU B 11 -0.758 3.014 -5.048 1.00 0.00 H new ATOM 0 HA LEU B 11 0.987 1.728 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.662 2.068 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.072 3.276 -2.857 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.603 1.364 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.471 -0.150 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.730 -0.410 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.290 0.509 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.446 2.136 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.249 2.774 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.398 3.497 -2.857 1.00 0.00 H new ATOM 478 N VAL B 12 -1.201 -0.353 -4.581 1.00 0.00 N ATOM 479 CA VAL B 12 -1.445 -1.814 -4.739 1.00 0.00 C ATOM 480 C VAL B 12 -0.276 -2.414 -5.519 1.00 0.00 C ATOM 481 O VAL B 12 0.057 -3.573 -5.369 1.00 0.00 O ATOM 482 CB VAL B 12 -2.760 -2.054 -5.485 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.870 -1.089 -6.664 1.00 0.00 C ATOM 484 CG2 VAL B 12 -2.803 -3.490 -6.008 1.00 0.00 C ATOM 0 H VAL B 12 -1.805 0.255 -5.134 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.522 -2.287 -3.760 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.591 -1.889 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.808 -1.264 -7.191 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.846 -0.063 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.035 -1.251 -7.346 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.741 -3.656 -6.538 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.967 -3.655 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.732 -4.184 -5.171 1.00 0.00 H new ATOM 494 N GLU B 13 0.372 -1.625 -6.334 1.00 0.00 N ATOM 495 CA GLU B 13 1.539 -2.145 -7.092 1.00 0.00 C ATOM 496 C GLU B 13 2.620 -2.501 -6.076 1.00 0.00 C ATOM 497 O GLU B 13 3.174 -3.584 -6.090 1.00 0.00 O ATOM 498 CB GLU B 13 2.056 -1.070 -8.051 1.00 0.00 C ATOM 499 CG GLU B 13 1.548 -1.360 -9.463 1.00 0.00 C ATOM 500 CD GLU B 13 2.115 -2.696 -9.945 1.00 0.00 C ATOM 501 OE1 GLU B 13 3.136 -3.108 -9.420 1.00 0.00 O ATOM 502 OE2 GLU B 13 1.517 -3.287 -10.831 1.00 0.00 O ATOM 0 H GLU B 13 0.142 -0.646 -6.505 1.00 0.00 H new ATOM 0 HA GLU B 13 1.260 -3.020 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.719 -0.086 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.146 -1.053 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.458 -1.392 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.848 -0.560 -10.140 1.00 0.00 H new ATOM 509 N ALA B 14 2.893 -1.605 -5.167 1.00 0.00 N ATOM 510 CA ALA B 14 3.903 -1.897 -4.119 1.00 0.00 C ATOM 511 C ALA B 14 3.404 -3.102 -3.328 1.00 0.00 C ATOM 512 O ALA B 14 4.165 -3.933 -2.875 1.00 0.00 O ATOM 513 CB ALA B 14 4.036 -0.686 -3.190 1.00 0.00 C ATOM 0 H ALA B 14 2.458 -0.684 -5.108 1.00 0.00 H new ATOM 0 HA ALA B 14 4.877 -2.106 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.777 -0.898 -2.420 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.352 0.183 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.074 -0.480 -2.721 1.00 0.00 H new ATOM 519 N LEU B 15 2.111 -3.203 -3.182 1.00 0.00 N ATOM 520 CA LEU B 15 1.514 -4.347 -2.451 1.00 0.00 C ATOM 521 C LEU B 15 1.834 -5.637 -3.208 1.00 0.00 C ATOM 522 O LEU B 15 1.908 -6.706 -2.636 1.00 0.00 O ATOM 523 CB LEU B 15 -0.007 -4.144 -2.413 1.00 0.00 C ATOM 524 CG LEU B 15 -0.442 -3.283 -1.215 1.00 0.00 C ATOM 525 CD1 LEU B 15 -0.978 -4.189 -0.110 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.733 -2.462 -0.669 1.00 0.00 C ATOM 0 H LEU B 15 1.437 -2.529 -3.545 1.00 0.00 H new ATOM 0 HA LEU B 15 1.913 -4.410 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.333 -3.669 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.501 -5.114 -2.361 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.218 -2.595 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.287 -3.582 0.741 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.833 -4.752 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.197 -4.882 0.204 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.396 -1.863 0.177 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.527 -3.134 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.112 -1.804 -1.451 1.00 0.00 H new ATOM 538 N TYR B 16 2.023 -5.538 -4.496 1.00 0.00 N ATOM 539 CA TYR B 16 2.339 -6.747 -5.305 1.00 0.00 C ATOM 540 C TYR B 16 3.785 -7.165 -5.038 1.00 0.00 C ATOM 541 O TYR B 16 4.048 -8.093 -4.300 1.00 0.00 O ATOM 542 CB TYR B 16 2.162 -6.417 -6.793 1.00 0.00 C ATOM 543 CG TYR B 16 2.846 -7.467 -7.639 1.00 0.00 C ATOM 544 CD1 TYR B 16 2.803 -8.814 -7.258 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.525 -7.090 -8.806 1.00 0.00 C ATOM 546 CE1 TYR B 16 3.437 -9.786 -8.044 1.00 0.00 C ATOM 547 CE2 TYR B 16 4.159 -8.061 -9.592 1.00 0.00 C ATOM 548 CZ TYR B 16 4.115 -9.409 -9.211 1.00 0.00 C ATOM 549 OH TYR B 16 4.741 -10.366 -9.985 1.00 0.00 O ATOM 0 H TYR B 16 1.972 -4.667 -5.024 1.00 0.00 H new ATOM 0 HA TYR B 16 1.670 -7.563 -5.033 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.101 -6.372 -7.041 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.581 -5.434 -7.009 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.281 -9.104 -6.358 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.559 -6.051 -9.099 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.403 -10.825 -7.750 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.682 -7.771 -10.491 1.00 0.00 H new ATOM 0 HH TYR B 16 5.163 -9.937 -10.758 1.00 0.00 H new ATOM 559 N LEU B 17 4.722 -6.487 -5.637 1.00 0.00 N ATOM 560 CA LEU B 17 6.145 -6.838 -5.428 1.00 0.00 C ATOM 561 C LEU B 17 6.416 -7.054 -3.936 1.00 0.00 C ATOM 562 O LEU B 17 7.343 -7.743 -3.559 1.00 0.00 O ATOM 563 CB LEU B 17 7.014 -5.701 -5.968 1.00 0.00 C ATOM 564 CG LEU B 17 7.079 -4.569 -4.944 1.00 0.00 C ATOM 565 CD1 LEU B 17 8.441 -4.585 -4.248 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.882 -3.227 -5.651 1.00 0.00 C ATOM 0 H LEU B 17 4.558 -5.701 -6.266 1.00 0.00 H new ATOM 0 HA LEU B 17 6.383 -7.762 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.018 -6.068 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.603 -5.331 -6.907 1.00 0.00 H new ATOM 0 HG LEU B 17 6.292 -4.707 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.486 -3.777 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.579 -5.540 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.229 -4.449 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.929 -2.420 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.667 -3.089 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.910 -3.215 -6.144 1.00 0.00 H new ATOM 578 N VAL B 18 5.619 -6.468 -3.082 1.00 0.00 N ATOM 579 CA VAL B 18 5.845 -6.643 -1.621 1.00 0.00 C ATOM 580 C VAL B 18 5.133 -7.907 -1.127 1.00 0.00 C ATOM 581 O VAL B 18 5.664 -8.997 -1.201 1.00 0.00 O ATOM 582 CB VAL B 18 5.302 -5.426 -0.872 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.407 -5.676 0.631 1.00 0.00 C ATOM 584 CG2 VAL B 18 6.121 -4.188 -1.239 1.00 0.00 C ATOM 0 H VAL B 18 4.825 -5.879 -3.333 1.00 0.00 H new ATOM 0 HA VAL B 18 6.915 -6.741 -1.435 1.00 0.00 H new ATOM 0 HB VAL B 18 4.260 -5.263 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.021 -4.812 1.171 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.824 -6.558 0.895 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.451 -5.837 0.901 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.731 -3.322 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.164 -4.346 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.053 -4.012 -2.312 1.00 0.00 H new