USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 75 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 15 LYS NZ :NH3+ 176:sc= 0.6 (180deg=0) USER MOD Set 1.2: A 16 ASN : amide:sc= -0.541 K(o=0.059,f=-6.7!) USER MOD Single : A 8 ASN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 ASN : amide:sc=-0.00482 X(o=-0.0048,f=-0.0048) USER MOD Single : B 15 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.158) USER MOD Single : B 16 ASN : amide:sc= -0.333 K(o=-0.33,f=-2.1!) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N ALA A 7 1.362 11.917 1.978 1.00 0.00 N ATOM 65 CA ALA A 7 2.064 12.065 0.689 1.00 0.00 C ATOM 66 C ALA A 7 3.503 11.506 0.722 1.00 0.00 C ATOM 67 O ALA A 7 3.891 10.694 -0.111 1.00 0.00 O ATOM 68 CB ALA A 7 2.080 13.534 0.254 1.00 0.00 C ATOM 0 HA ALA A 7 1.508 11.474 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.602 13.626 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.056 13.892 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.593 14.131 1.008 1.00 0.00 H new ATOM 70 N ASN A 8 4.233 11.877 1.779 1.00 0.00 N ATOM 71 CA ASN A 8 5.531 11.300 2.121 1.00 0.00 C ATOM 72 C ASN A 8 5.475 9.795 2.399 1.00 0.00 C ATOM 73 O ASN A 8 6.177 9.060 1.718 1.00 0.00 O ATOM 74 CB ASN A 8 6.072 12.027 3.355 1.00 0.00 C ATOM 75 CG ASN A 8 6.263 13.522 3.112 1.00 0.00 C ATOM 76 OD1 ASN A 8 7.177 13.989 2.450 1.00 0.00 O ATOM 77 ND2 ASN A 8 5.332 14.300 3.601 1.00 0.00 N ATOM 0 H ASN A 8 3.930 12.600 2.431 1.00 0.00 H new ATOM 0 HA ASN A 8 6.185 11.429 1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.385 11.882 4.189 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.025 11.584 3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.366 15.305 3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.572 13.902 4.153 1.00 0.00 H new ATOM 81 N ALA A 9 4.593 9.348 3.292 1.00 0.00 N ATOM 82 CA ALA A 9 4.396 7.908 3.570 1.00 0.00 C ATOM 83 C ALA A 9 4.254 7.019 2.327 1.00 0.00 C ATOM 84 O ALA A 9 5.109 6.180 2.084 1.00 0.00 O ATOM 85 CB ALA A 9 3.199 7.728 4.527 1.00 0.00 C ATOM 0 H ALA A 9 3.994 9.961 3.845 1.00 0.00 H new ATOM 0 HA ALA A 9 5.315 7.561 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.053 6.667 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.397 8.254 5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.299 8.135 4.065 1.00 0.00 H new ATOM 87 N PHE A 10 3.435 7.532 1.409 1.00 0.00 N ATOM 88 CA PHE A 10 3.198 6.978 0.059 1.00 0.00 C ATOM 89 C PHE A 10 4.513 6.755 -0.687 1.00 0.00 C ATOM 90 O PHE A 10 4.948 5.624 -0.888 1.00 0.00 O ATOM 91 CB PHE A 10 2.333 7.974 -0.721 1.00 0.00 C ATOM 92 CG PHE A 10 1.811 7.443 -2.054 1.00 0.00 C ATOM 93 CD1 PHE A 10 0.957 6.313 -2.105 1.00 0.00 C ATOM 94 CD2 PHE A 10 2.292 8.047 -3.239 1.00 0.00 C ATOM 95 CE1 PHE A 10 0.589 5.782 -3.362 1.00 0.00 C ATOM 96 CE2 PHE A 10 1.919 7.520 -4.490 1.00 0.00 C ATOM 97 CZ PHE A 10 1.072 6.388 -4.534 1.00 0.00 C ATOM 0 H PHE A 10 2.893 8.378 1.584 1.00 0.00 H new ATOM 0 HA PHE A 10 2.697 6.014 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.484 8.264 -0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.916 8.877 -0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.592 5.863 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.942 8.908 -3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.057 4.919 -3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.275 7.974 -5.403 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.789 5.979 -5.493 1.00 0.00 H new ATOM 99 N ARG A 11 5.242 7.847 -0.721 1.00 0.00 N ATOM 100 CA ARG A 11 6.564 7.965 -1.361 1.00 0.00 C ATOM 101 C ARG A 11 7.711 7.178 -0.736 1.00 0.00 C ATOM 102 O ARG A 11 8.500 6.566 -1.444 1.00 0.00 O ATOM 103 CB ARG A 11 6.933 9.442 -1.570 1.00 0.00 C ATOM 104 CG ARG A 11 6.281 9.961 -2.854 1.00 0.00 C ATOM 105 CD ARG A 11 6.956 9.280 -4.053 1.00 0.00 C ATOM 106 NE ARG A 11 6.230 9.481 -5.314 1.00 0.00 N ATOM 107 CZ ARG A 11 6.643 9.010 -6.501 1.00 0.00 C ATOM 108 NH1 ARG A 11 7.773 8.315 -6.624 1.00 0.00 N ATOM 109 NH2 ARG A 11 5.872 9.113 -7.570 1.00 0.00 N ATOM 0 H ARG A 11 4.933 8.719 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 11 6.435 7.469 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.601 10.034 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.016 9.551 -1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.212 9.747 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.389 11.043 -2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.970 9.666 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.041 8.211 -3.856 1.00 0.00 H new ATOM 0 HE ARG A 11 5.359 10.011 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.349 8.129 -5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.062 7.969 -7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.955 9.553 -7.497 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.194 8.752 -8.468 1.00 0.00 H new ATOM 116 N ILE A 12 7.611 7.007 0.580 1.00 0.00 N ATOM 117 CA ILE A 12 8.551 6.227 1.384 1.00 0.00 C ATOM 118 C ILE A 12 8.492 4.727 1.007 1.00 0.00 C ATOM 119 O ILE A 12 9.500 4.036 0.850 1.00 0.00 O ATOM 120 CB ILE A 12 8.433 6.395 2.902 1.00 0.00 C ATOM 121 CG1 ILE A 12 8.467 7.860 3.380 1.00 0.00 C ATOM 122 CG2 ILE A 12 9.427 5.564 3.739 1.00 0.00 C ATOM 123 CD1 ILE A 12 9.671 8.693 2.909 1.00 0.00 C ATOM 0 H ILE A 12 6.856 7.416 1.131 1.00 0.00 H new ATOM 0 HA ILE A 12 9.525 6.646 1.130 1.00 0.00 H new ATOM 0 HB ILE A 12 7.438 5.991 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.555 8.353 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 12 8.449 7.867 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.259 5.756 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.278 4.504 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.447 5.844 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.590 9.705 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.593 8.236 3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.685 8.729 1.820 1.00 0.00 H new ATOM 125 N PHE A 13 7.245 4.288 0.890 1.00 0.00 N ATOM 126 CA PHE A 13 6.853 2.941 0.468 1.00 0.00 C ATOM 127 C PHE A 13 7.133 2.703 -1.029 1.00 0.00 C ATOM 128 O PHE A 13 7.785 1.725 -1.364 1.00 0.00 O ATOM 129 CB PHE A 13 5.364 2.810 0.784 1.00 0.00 C ATOM 130 CG PHE A 13 5.032 2.761 2.289 1.00 0.00 C ATOM 131 CD1 PHE A 13 5.935 2.177 3.207 1.00 0.00 C ATOM 132 CD2 PHE A 13 3.934 3.529 2.742 1.00 0.00 C ATOM 133 CE1 PHE A 13 5.784 2.422 4.592 1.00 0.00 C ATOM 134 CE2 PHE A 13 3.783 3.775 4.127 1.00 0.00 C ATOM 135 CZ PHE A 13 4.717 3.241 5.027 1.00 0.00 C ATOM 0 H PHE A 13 6.442 4.883 1.094 1.00 0.00 H new ATOM 0 HA PHE A 13 7.436 2.187 0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.835 3.651 0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.983 1.905 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.737 1.546 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.217 3.924 2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.472 1.991 5.305 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.956 4.369 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.618 3.461 6.080 1.00 0.00 H new ATOM 137 N ASP A 14 6.769 3.690 -1.837 1.00 0.00 N ATOM 138 CA ASP A 14 6.905 3.768 -3.311 1.00 0.00 C ATOM 139 C ASP A 14 8.355 3.998 -3.777 1.00 0.00 C ATOM 140 O ASP A 14 8.653 4.817 -4.640 1.00 0.00 O ATOM 141 CB ASP A 14 5.950 4.877 -3.789 1.00 0.00 C ATOM 142 CG ASP A 14 5.819 5.137 -5.296 1.00 0.00 C ATOM 143 OD1 ASP A 14 6.402 4.394 -6.119 1.00 0.00 O ATOM 144 OD2 ASP A 14 5.085 6.100 -5.614 1.00 0.00 O ATOM 0 H ASP A 14 6.334 4.533 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 14 6.636 2.811 -3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.956 4.645 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.264 5.809 -3.319 1.00 0.00 H new ATOM 146 N LYS A 15 9.222 3.125 -3.269 1.00 0.00 N ATOM 147 CA LYS A 15 10.642 3.052 -3.639 1.00 0.00 C ATOM 148 C LYS A 15 10.919 2.946 -5.157 1.00 0.00 C ATOM 149 O LYS A 15 11.750 3.692 -5.680 1.00 0.00 O ATOM 150 CB LYS A 15 11.410 1.996 -2.819 1.00 0.00 C ATOM 151 CG LYS A 15 10.823 0.586 -2.663 1.00 0.00 C ATOM 152 CD LYS A 15 10.976 -0.271 -3.917 1.00 0.00 C ATOM 153 CE LYS A 15 10.461 -1.695 -3.720 1.00 0.00 C ATOM 154 NZ LYS A 15 10.296 -2.309 -5.043 1.00 0.00 N ATOM 0 H LYS A 15 8.955 2.430 -2.572 1.00 0.00 H new ATOM 0 HA LYS A 15 11.043 4.028 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.398 1.891 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.555 2.402 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.312 0.086 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.765 0.665 -2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.436 0.196 -4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.027 -0.305 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.162 -2.273 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.512 -1.685 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.010 -3.303 -4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.564 -1.796 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.196 -2.264 -5.561 1.00 0.00 H new ATOM 159 N ASN A 16 10.138 2.124 -5.847 1.00 0.00 N ATOM 160 CA ASN A 16 10.235 1.964 -7.315 1.00 0.00 C ATOM 161 C ASN A 16 9.573 3.063 -8.186 1.00 0.00 C ATOM 162 O ASN A 16 9.292 2.843 -9.365 1.00 0.00 O ATOM 163 CB ASN A 16 9.812 0.531 -7.684 1.00 0.00 C ATOM 164 CG ASN A 16 8.425 0.082 -7.222 1.00 0.00 C ATOM 165 OD1 ASN A 16 8.196 -0.409 -5.899 1.00 0.00 O ATOM 166 ND2 ASN A 16 7.480 0.008 -8.120 1.00 0.00 N ATOM 0 H ASN A 16 9.417 1.545 -5.417 1.00 0.00 H new ATOM 0 HA ASN A 16 11.282 2.120 -7.575 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.858 0.432 -8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.548 -0.158 -7.270 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.577 -0.400 -7.878 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.645 0.359 -9.064 1.00 0.00 H new ATOM 170 N ALA A 17 9.208 4.181 -7.556 1.00 0.00 N ATOM 171 CA ALA A 17 8.922 5.494 -8.173 1.00 0.00 C ATOM 172 C ALA A 17 7.829 5.608 -9.250 1.00 0.00 C ATOM 173 O ALA A 17 7.594 6.675 -9.807 1.00 0.00 O ATOM 174 CB ALA A 17 10.243 6.123 -8.668 1.00 0.00 C ATOM 0 H ALA A 17 9.095 4.204 -6.543 1.00 0.00 H new ATOM 0 HA ALA A 17 8.462 6.046 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.037 7.091 -9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.921 6.256 -7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.705 5.466 -9.405 1.00 0.00 H new ATOM 176 N ASP A 18 6.902 4.661 -9.168 1.00 0.00 N ATOM 177 CA ASP A 18 5.805 4.494 -10.154 1.00 0.00 C ATOM 178 C ASP A 18 4.483 5.210 -9.806 1.00 0.00 C ATOM 179 O ASP A 18 3.483 5.001 -10.497 1.00 0.00 O ATOM 180 CB ASP A 18 5.550 2.987 -10.393 1.00 0.00 C ATOM 181 CG ASP A 18 5.073 2.172 -9.194 1.00 0.00 C ATOM 182 OD1 ASP A 18 5.112 2.715 -8.066 1.00 0.00 O ATOM 183 OD2 ASP A 18 4.731 0.989 -9.410 1.00 0.00 O ATOM 0 H ASP A 18 6.877 3.974 -8.414 1.00 0.00 H new ATOM 0 HA ASP A 18 6.154 4.985 -11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.809 2.889 -11.187 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.473 2.540 -10.762 1.00 0.00 H new ATOM 185 N GLY A 19 4.479 5.967 -8.711 1.00 0.00 N ATOM 186 CA GLY A 19 3.252 6.552 -8.132 1.00 0.00 C ATOM 187 C GLY A 19 2.267 5.483 -7.623 1.00 0.00 C ATOM 188 O GLY A 19 1.063 5.723 -7.541 1.00 0.00 O ATOM 0 H GLY A 19 5.326 6.198 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.523 7.212 -7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.758 7.167 -8.884 1.00 0.00 H new ATOM 190 N TYR A 20 2.817 4.320 -7.273 1.00 0.00 N ATOM 191 CA TYR A 20 2.066 3.150 -6.793 1.00 0.00 C ATOM 192 C TYR A 20 2.782 2.430 -5.638 1.00 0.00 C ATOM 193 O TYR A 20 3.924 2.742 -5.276 1.00 0.00 O ATOM 194 CB TYR A 20 1.878 2.109 -7.899 1.00 0.00 C ATOM 195 CG TYR A 20 1.223 2.604 -9.200 1.00 0.00 C ATOM 196 CD1 TYR A 20 -0.060 3.183 -9.112 1.00 0.00 C ATOM 197 CD2 TYR A 20 1.830 2.336 -10.442 1.00 0.00 C ATOM 198 CE1 TYR A 20 -0.745 3.526 -10.292 1.00 0.00 C ATOM 199 CE2 TYR A 20 1.150 2.675 -11.629 1.00 0.00 C ATOM 200 CZ TYR A 20 -0.130 3.276 -11.537 1.00 0.00 C ATOM 201 OH TYR A 20 -0.783 3.623 -12.677 1.00 0.00 O ATOM 0 H TYR A 20 3.823 4.157 -7.315 1.00 0.00 H new ATOM 0 HA TYR A 20 1.107 3.546 -6.458 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.855 1.692 -8.145 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.274 1.293 -7.501 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.512 3.361 -8.148 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.806 1.876 -10.485 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.727 3.974 -10.246 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.597 2.480 -12.593 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.233 3.389 -13.453 1.00 0.00 H new ATOM 204 N ILE A 21 2.002 1.556 -5.026 1.00 0.00 N ATOM 205 CA ILE A 21 2.417 0.563 -4.026 1.00 0.00 C ATOM 206 C ILE A 21 2.145 -0.861 -4.558 1.00 0.00 C ATOM 207 O ILE A 21 1.069 -1.166 -5.070 1.00 0.00 O ATOM 208 CB ILE A 21 1.811 0.869 -2.647 1.00 0.00 C ATOM 209 CG1 ILE A 21 2.765 1.729 -1.817 1.00 0.00 C ATOM 210 CG2 ILE A 21 1.382 -0.325 -1.776 1.00 0.00 C ATOM 211 CD1 ILE A 21 2.837 3.201 -2.221 1.00 0.00 C ATOM 0 H ILE A 21 1.001 1.510 -5.219 1.00 0.00 H new ATOM 0 HA ILE A 21 3.493 0.622 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 21 0.888 1.384 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.464 1.671 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.765 1.301 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.973 0.040 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.622 -0.904 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.246 -0.958 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.540 3.723 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.172 3.278 -3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.850 3.653 -2.124 1.00 0.00 H new ATOM 213 N ASP A 22 3.206 -1.654 -4.494 1.00 0.00 N ATOM 214 CA ASP A 22 3.205 -3.097 -4.784 1.00 0.00 C ATOM 215 C ASP A 22 3.276 -3.972 -3.528 1.00 0.00 C ATOM 216 O ASP A 22 3.483 -3.487 -2.424 1.00 0.00 O ATOM 217 CB ASP A 22 4.271 -3.495 -5.800 1.00 0.00 C ATOM 218 CG ASP A 22 5.440 -2.514 -5.998 1.00 0.00 C ATOM 219 OD1 ASP A 22 6.359 -2.584 -5.153 1.00 0.00 O ATOM 220 OD2 ASP A 22 5.354 -1.703 -6.940 1.00 0.00 O ATOM 0 H ASP A 22 4.128 -1.306 -4.230 1.00 0.00 H new ATOM 0 HA ASP A 22 2.234 -3.290 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.683 -4.459 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.784 -3.642 -6.764 1.00 0.00 H new ATOM 222 N ILE A 23 3.219 -5.279 -3.772 1.00 0.00 N ATOM 223 CA ILE A 23 3.187 -6.314 -2.712 1.00 0.00 C ATOM 224 C ILE A 23 4.222 -6.212 -1.581 1.00 0.00 C ATOM 225 O ILE A 23 3.839 -6.173 -0.417 1.00 0.00 O ATOM 226 CB ILE A 23 3.128 -7.716 -3.378 1.00 0.00 C ATOM 227 CG1 ILE A 23 2.897 -8.850 -2.373 1.00 0.00 C ATOM 228 CG2 ILE A 23 4.352 -8.024 -4.255 1.00 0.00 C ATOM 229 CD1 ILE A 23 1.452 -8.895 -1.867 1.00 0.00 C ATOM 0 H ILE A 23 3.193 -5.665 -4.716 1.00 0.00 H new ATOM 0 HA ILE A 23 2.275 -6.123 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 23 2.258 -7.668 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.145 -9.803 -2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.572 -8.725 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.247 -9.018 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.423 -7.285 -5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.255 -7.988 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.340 -9.715 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.210 -7.954 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.776 -9.048 -2.709 1.00 0.00 H new ATOM 231 N GLU A 24 5.482 -6.007 -1.935 1.00 0.00 N ATOM 232 CA GLU A 24 6.580 -5.820 -0.960 1.00 0.00 C ATOM 233 C GLU A 24 6.490 -4.538 -0.119 1.00 0.00 C ATOM 234 O GLU A 24 6.727 -4.517 1.082 1.00 0.00 O ATOM 235 CB GLU A 24 7.986 -5.960 -1.591 1.00 0.00 C ATOM 236 CG GLU A 24 8.384 -4.925 -2.655 1.00 0.00 C ATOM 237 CD GLU A 24 7.924 -5.268 -4.074 1.00 0.00 C ATOM 238 OE1 GLU A 24 6.683 -5.199 -4.313 1.00 0.00 O ATOM 239 OE2 GLU A 24 8.794 -5.617 -4.898 1.00 0.00 O ATOM 0 H GLU A 24 5.787 -5.963 -2.907 1.00 0.00 H new ATOM 0 HA GLU A 24 6.435 -6.647 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.722 -5.920 -0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.058 -6.951 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.969 -3.957 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.469 -4.819 -2.653 1.00 0.00 H new ATOM 241 N GLU A 25 6.056 -3.498 -0.816 1.00 0.00 N ATOM 242 CA GLU A 25 5.752 -2.163 -0.307 1.00 0.00 C ATOM 243 C GLU A 25 4.539 -2.138 0.631 1.00 0.00 C ATOM 244 O GLU A 25 4.554 -1.479 1.669 1.00 0.00 O ATOM 245 CB GLU A 25 5.513 -1.282 -1.523 1.00 0.00 C ATOM 246 CG GLU A 25 6.819 -1.047 -2.289 1.00 0.00 C ATOM 247 CD GLU A 25 6.665 -0.097 -3.472 1.00 0.00 C ATOM 248 OE1 GLU A 25 5.572 -0.151 -4.104 1.00 0.00 O ATOM 249 OE2 GLU A 25 7.626 0.649 -3.752 1.00 0.00 O ATOM 0 H GLU A 25 5.895 -3.566 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 25 6.585 -1.805 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.780 -1.751 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.093 -0.326 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.566 -0.645 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.198 -2.004 -2.648 1.00 0.00 H new ATOM 251 N LEU A 26 3.516 -2.908 0.266 1.00 0.00 N ATOM 252 CA LEU A 26 2.377 -3.218 1.147 1.00 0.00 C ATOM 253 C LEU A 26 2.843 -4.045 2.366 1.00 0.00 C ATOM 254 O LEU A 26 2.385 -3.794 3.471 1.00 0.00 O ATOM 255 CB LEU A 26 1.282 -3.979 0.382 1.00 0.00 C ATOM 256 CG LEU A 26 0.019 -4.049 1.232 1.00 0.00 C ATOM 257 CD1 LEU A 26 -0.879 -2.830 0.984 1.00 0.00 C ATOM 258 CD2 LEU A 26 -0.735 -5.338 0.942 1.00 0.00 C ATOM 0 H LEU A 26 3.448 -3.341 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 26 1.960 -2.275 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.069 -3.478 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.626 -4.985 0.140 1.00 0.00 H new ATOM 0 HG LEU A 26 0.310 -4.041 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.773 -2.905 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.336 -1.920 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.167 -2.798 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.636 -5.378 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.011 -5.369 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.099 -6.192 1.175 1.00 0.00 H new ATOM 260 N GLY A 27 3.726 -5.010 2.120 1.00 0.00 N ATOM 261 CA GLY A 27 4.445 -5.776 3.160 1.00 0.00 C ATOM 262 C GLY A 27 5.270 -4.907 4.134 1.00 0.00 C ATOM 263 O GLY A 27 5.678 -5.384 5.184 1.00 0.00 O ATOM 0 H GLY A 27 3.974 -5.295 1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.721 -6.356 3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.111 -6.489 2.674 1.00 0.00 H new ATOM 265 N GLU A 28 5.736 -3.765 3.643 1.00 0.00 N ATOM 266 CA GLU A 28 6.356 -2.715 4.494 1.00 0.00 C ATOM 267 C GLU A 28 5.353 -1.941 5.355 1.00 0.00 C ATOM 268 O GLU A 28 5.670 -1.590 6.489 1.00 0.00 O ATOM 269 CB GLU A 28 7.203 -1.765 3.634 1.00 0.00 C ATOM 270 CG GLU A 28 8.426 -2.482 3.056 1.00 0.00 C ATOM 271 CD GLU A 28 9.178 -1.621 2.038 1.00 0.00 C ATOM 272 OE1 GLU A 28 8.759 -1.633 0.862 1.00 0.00 O ATOM 273 OE2 GLU A 28 10.195 -1.020 2.439 1.00 0.00 O ATOM 0 H GLU A 28 5.703 -3.526 2.652 1.00 0.00 H new ATOM 0 HA GLU A 28 7.002 -3.234 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.595 -1.366 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.527 -0.916 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.101 -2.755 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.109 -3.410 2.580 1.00 0.00 H new ATOM 275 N ILE A 29 4.178 -1.643 4.793 1.00 0.00 N ATOM 276 CA ILE A 29 3.023 -1.117 5.571 1.00 0.00 C ATOM 277 C ILE A 29 2.615 -2.210 6.603 1.00 0.00 C ATOM 278 O ILE A 29 2.906 -2.105 7.786 1.00 0.00 O ATOM 279 CB ILE A 29 1.857 -0.685 4.691 1.00 0.00 C ATOM 280 CG1 ILE A 29 2.283 0.242 3.541 1.00 0.00 C ATOM 281 CG2 ILE A 29 0.775 0.019 5.527 1.00 0.00 C ATOM 282 CD1 ILE A 29 1.258 0.368 2.400 1.00 0.00 C ATOM 0 H ILE A 29 3.989 -1.754 3.797 1.00 0.00 H new ATOM 0 HA ILE A 29 3.320 -0.205 6.089 1.00 0.00 H new ATOM 0 HB ILE A 29 1.458 -1.599 4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.478 1.235 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.223 -0.124 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.048 0.319 4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.404 -0.664 6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.201 0.902 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.645 1.041 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.079 -0.614 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.323 0.766 2.794 1.00 0.00 H new ATOM 284 N LEU A 30 2.025 -3.293 6.101 1.00 0.00 N ATOM 285 CA LEU A 30 1.662 -4.480 6.880 1.00 0.00 C ATOM 286 C LEU A 30 2.826 -5.472 7.020 1.00 0.00 C ATOM 287 O LEU A 30 2.955 -6.512 6.359 1.00 0.00 O ATOM 288 CB LEU A 30 0.481 -5.239 6.315 1.00 0.00 C ATOM 289 CG LEU A 30 -0.842 -4.458 6.265 1.00 0.00 C ATOM 290 CD1 LEU A 30 -1.892 -5.290 5.523 1.00 0.00 C ATOM 291 CD2 LEU A 30 -1.354 -4.101 7.664 1.00 0.00 C ATOM 0 H LEU A 30 1.779 -3.373 5.114 1.00 0.00 H new ATOM 0 HA LEU A 30 1.392 -4.075 7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.730 -5.564 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.330 -6.139 6.912 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.660 -3.522 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.832 -4.740 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.547 -5.490 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.045 -6.234 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.291 -3.550 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.521 -5.015 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.615 -3.484 8.175 1.00 0.00 H new ATOM 388 N LEU B 6 -1.006 -11.747 3.007 1.00 0.00 N ATOM 389 CA LEU B 6 -0.655 -10.431 2.459 1.00 0.00 C ATOM 390 C LEU B 6 -1.141 -10.234 1.002 1.00 0.00 C ATOM 391 O LEU B 6 -1.776 -9.224 0.698 1.00 0.00 O ATOM 392 CB LEU B 6 0.864 -10.266 2.495 1.00 0.00 C ATOM 393 CG LEU B 6 1.300 -9.193 3.492 1.00 0.00 C ATOM 394 CD1 LEU B 6 2.746 -9.443 3.912 1.00 0.00 C ATOM 395 CD2 LEU B 6 1.159 -7.800 2.880 1.00 0.00 C ATOM 0 HA LEU B 6 -1.154 -9.683 3.075 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.326 -11.217 2.761 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.224 -10.004 1.500 1.00 0.00 H new ATOM 0 HG LEU B 6 0.657 -9.245 4.370 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.056 -8.677 4.623 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.825 -10.425 4.379 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.391 -9.406 3.034 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.474 -7.050 3.606 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.784 -7.729 1.990 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.118 -7.626 2.608 1.00 0.00 H new ATOM 397 N ALA B 7 -0.946 -11.284 0.216 1.00 0.00 N ATOM 398 CA ALA B 7 -1.364 -11.398 -1.187 1.00 0.00 C ATOM 399 C ALA B 7 -2.844 -10.983 -1.417 1.00 0.00 C ATOM 400 O ALA B 7 -3.122 -10.046 -2.165 1.00 0.00 O ATOM 401 CB ALA B 7 -1.141 -12.844 -1.658 1.00 0.00 C ATOM 0 H ALA B 7 -0.470 -12.123 0.549 1.00 0.00 H new ATOM 0 HA ALA B 7 -0.757 -10.705 -1.769 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.449 -12.939 -2.699 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -0.085 -13.097 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.731 -13.522 -1.042 1.00 0.00 H new ATOM 403 N ASN B 8 -3.717 -11.563 -0.610 1.00 0.00 N ATOM 404 CA ASN B 8 -5.156 -11.260 -0.580 1.00 0.00 C ATOM 405 C ASN B 8 -5.510 -9.830 -0.155 1.00 0.00 C ATOM 406 O ASN B 8 -6.199 -9.130 -0.898 1.00 0.00 O ATOM 407 CB ASN B 8 -5.785 -12.294 0.358 1.00 0.00 C ATOM 408 CG ASN B 8 -5.661 -13.720 -0.181 1.00 0.00 C ATOM 409 OD1 ASN B 8 -6.338 -14.144 -1.104 1.00 0.00 O ATOM 410 ND2 ASN B 8 -4.749 -14.494 0.365 1.00 0.00 N ATOM 0 H ASN B 8 -3.446 -12.279 0.065 1.00 0.00 H new ATOM 0 HA ASN B 8 -5.549 -11.320 -1.595 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -5.305 -12.234 1.335 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -6.838 -12.054 0.505 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.611 -15.443 0.017 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -4.180 -14.146 1.137 1.00 0.00 H new ATOM 414 N ALA B 9 -4.921 -9.374 0.949 1.00 0.00 N ATOM 415 CA ALA B 9 -5.101 -7.989 1.433 1.00 0.00 C ATOM 416 C ALA B 9 -4.800 -6.891 0.408 1.00 0.00 C ATOM 417 O ALA B 9 -5.661 -6.071 0.095 1.00 0.00 O ATOM 418 CB ALA B 9 -4.292 -7.785 2.729 1.00 0.00 C ATOM 0 H ALA B 9 -4.309 -9.941 1.535 1.00 0.00 H new ATOM 0 HA ALA B 9 -6.167 -7.878 1.630 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.426 -6.763 3.084 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -4.642 -8.483 3.490 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.235 -7.965 2.530 1.00 0.00 H new ATOM 420 N PHE B 10 -3.719 -7.151 -0.330 1.00 0.00 N ATOM 421 CA PHE B 10 -3.262 -6.362 -1.487 1.00 0.00 C ATOM 422 C PHE B 10 -4.368 -6.157 -2.528 1.00 0.00 C ATOM 423 O PHE B 10 -4.899 -5.071 -2.715 1.00 0.00 O ATOM 424 CB PHE B 10 -2.091 -7.106 -2.150 1.00 0.00 C ATOM 425 CG PHE B 10 -1.421 -6.360 -3.315 1.00 0.00 C ATOM 426 CD1 PHE B 10 -0.804 -5.103 -3.111 1.00 0.00 C ATOM 427 CD2 PHE B 10 -1.445 -6.973 -4.591 1.00 0.00 C ATOM 428 CE1 PHE B 10 -0.205 -4.444 -4.199 1.00 0.00 C ATOM 429 CE2 PHE B 10 -0.828 -6.311 -5.681 1.00 0.00 C ATOM 430 CZ PHE B 10 -0.216 -5.063 -5.474 1.00 0.00 C ATOM 0 H PHE B 10 -3.111 -7.946 -0.135 1.00 0.00 H new ATOM 0 HA PHE B 10 -2.962 -5.378 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE B 10 -1.337 -7.315 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE B 10 -2.452 -8.068 -2.514 1.00 0.00 H new ATOM 0 HD1 PHE B 10 -0.793 -4.654 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE B 10 -1.926 -7.930 -4.731 1.00 0.00 H new ATOM 0 HE1 PHE B 10 0.258 -3.478 -4.065 1.00 0.00 H new ATOM 0 HE2 PHE B 10 -0.828 -6.762 -6.663 1.00 0.00 H new ATOM 0 HZ PHE B 10 0.257 -4.564 -6.306 1.00 0.00 H new ATOM 432 N ARG B 11 -4.859 -7.327 -2.907 1.00 0.00 N ATOM 433 CA ARG B 11 -5.899 -7.473 -3.929 1.00 0.00 C ATOM 434 C ARG B 11 -7.288 -6.955 -3.550 1.00 0.00 C ATOM 435 O ARG B 11 -8.028 -6.490 -4.416 1.00 0.00 O ATOM 436 CB ARG B 11 -5.964 -8.905 -4.482 1.00 0.00 C ATOM 437 CG ARG B 11 -5.202 -9.003 -5.807 1.00 0.00 C ATOM 438 CD ARG B 11 -5.905 -8.201 -6.912 1.00 0.00 C ATOM 439 NE ARG B 11 -5.177 -8.286 -8.186 1.00 0.00 N ATOM 440 CZ ARG B 11 -5.515 -7.691 -9.333 1.00 0.00 C ATOM 441 NH1 ARG B 11 -6.584 -6.916 -9.451 1.00 0.00 N ATOM 442 NH2 ARG B 11 -4.842 -7.983 -10.432 1.00 0.00 N ATOM 0 H ARG B 11 -4.547 -8.215 -2.513 1.00 0.00 H new ATOM 0 HA ARG B 11 -5.573 -6.802 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.538 -9.600 -3.759 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -7.004 -9.197 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -4.186 -8.631 -5.674 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -5.122 -10.048 -6.107 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.920 -8.576 -7.046 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.989 -7.157 -6.608 1.00 0.00 H new ATOM 0 HE ARG B 11 -4.331 -8.855 -8.195 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.188 -6.754 -8.645 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -6.803 -6.482 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -4.076 -8.655 -10.397 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -5.089 -7.536 -11.315 1.00 0.00 H new ATOM 449 N ILE B 12 -7.502 -6.831 -2.248 1.00 0.00 N ATOM 450 CA ILE B 12 -8.718 -6.254 -1.682 1.00 0.00 C ATOM 451 C ILE B 12 -8.818 -4.731 -1.945 1.00 0.00 C ATOM 452 O ILE B 12 -9.748 -4.221 -2.568 1.00 0.00 O ATOM 453 CB ILE B 12 -8.932 -6.642 -0.207 1.00 0.00 C ATOM 454 CG1 ILE B 12 -9.261 -8.135 -0.099 1.00 0.00 C ATOM 455 CG2 ILE B 12 -10.005 -5.816 0.536 1.00 0.00 C ATOM 456 CD1 ILE B 12 -8.979 -8.748 1.271 1.00 0.00 C ATOM 0 H ILE B 12 -6.828 -7.132 -1.544 1.00 0.00 H new ATOM 0 HA ILE B 12 -9.556 -6.702 -2.215 1.00 0.00 H new ATOM 0 HB ILE B 12 -7.989 -6.413 0.290 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -10.314 -8.280 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -8.686 -8.676 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -10.083 -6.163 1.566 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -9.724 -4.763 0.528 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -10.967 -5.938 0.039 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -9.241 -9.806 1.257 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -7.921 -8.639 1.507 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -9.574 -8.237 2.028 1.00 0.00 H new ATOM 458 N PHE B 13 -7.728 -4.089 -1.563 1.00 0.00 N ATOM 459 CA PHE B 13 -7.462 -2.648 -1.680 1.00 0.00 C ATOM 460 C PHE B 13 -7.399 -2.130 -3.130 1.00 0.00 C ATOM 461 O PHE B 13 -7.660 -0.964 -3.422 1.00 0.00 O ATOM 462 CB PHE B 13 -6.081 -2.456 -1.042 1.00 0.00 C ATOM 463 CG PHE B 13 -5.962 -2.778 0.462 1.00 0.00 C ATOM 464 CD1 PHE B 13 -7.055 -2.662 1.348 1.00 0.00 C ATOM 465 CD2 PHE B 13 -4.724 -3.297 0.906 1.00 0.00 C ATOM 466 CE1 PHE B 13 -6.926 -3.100 2.684 1.00 0.00 C ATOM 467 CE2 PHE B 13 -4.585 -3.730 2.234 1.00 0.00 C ATOM 468 CZ PHE B 13 -5.687 -3.634 3.109 1.00 0.00 C ATOM 0 H PHE B 13 -6.947 -4.585 -1.133 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.273 -2.095 -1.205 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -5.368 -3.079 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -5.777 -1.420 -1.193 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -7.988 -2.239 1.005 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.888 -3.360 0.225 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.758 -3.029 3.369 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -3.645 -4.132 2.582 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.582 -3.976 4.128 1.00 0.00 H new ATOM 470 N ASP B 14 -6.859 -3.002 -3.971 1.00 0.00 N ATOM 471 CA ASP B 14 -6.591 -2.855 -5.417 1.00 0.00 C ATOM 472 C ASP B 14 -7.856 -2.725 -6.304 1.00 0.00 C ATOM 473 O ASP B 14 -7.920 -3.202 -7.434 1.00 0.00 O ATOM 474 CB ASP B 14 -5.767 -4.088 -5.801 1.00 0.00 C ATOM 475 CG ASP B 14 -4.749 -3.858 -6.911 1.00 0.00 C ATOM 476 OD1 ASP B 14 -5.116 -3.326 -7.988 1.00 0.00 O ATOM 477 OD2 ASP B 14 -3.611 -4.307 -6.680 1.00 0.00 O ATOM 0 H ASP B 14 -6.566 -3.920 -3.638 1.00 0.00 H new ATOM 0 HA ASP B 14 -6.066 -1.917 -5.595 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -5.243 -4.447 -4.915 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -6.448 -4.880 -6.111 1.00 0.00 H new ATOM 479 N LYS B 15 -8.743 -1.868 -5.824 1.00 0.00 N ATOM 480 CA LYS B 15 -10.023 -1.478 -6.444 1.00 0.00 C ATOM 481 C LYS B 15 -9.934 -0.971 -7.894 1.00 0.00 C ATOM 482 O LYS B 15 -10.802 -1.317 -8.694 1.00 0.00 O ATOM 483 CB LYS B 15 -10.712 -0.439 -5.556 1.00 0.00 C ATOM 484 CG LYS B 15 -11.267 -1.119 -4.302 1.00 0.00 C ATOM 485 CD LYS B 15 -11.365 -0.092 -3.188 1.00 0.00 C ATOM 486 CE LYS B 15 -12.214 -0.563 -2.006 1.00 0.00 C ATOM 487 NZ LYS B 15 -13.630 -0.589 -2.396 1.00 0.00 N ATOM 0 H LYS B 15 -8.589 -1.390 -4.936 1.00 0.00 H new ATOM 0 HA LYS B 15 -10.609 -2.394 -6.516 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -10.004 0.341 -5.275 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -11.519 0.046 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -12.248 -1.546 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -10.618 -1.941 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -10.362 0.147 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -11.790 0.829 -3.588 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -11.895 -1.556 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -12.073 0.104 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -14.223 -0.658 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -13.864 0.284 -2.911 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -13.806 -1.411 -3.009 1.00 0.00 H new ATOM 492 N ASN B 16 -8.939 -0.151 -8.233 1.00 0.00 N ATOM 493 CA ASN B 16 -8.738 0.294 -9.623 1.00 0.00 C ATOM 494 C ASN B 16 -8.008 -0.726 -10.546 1.00 0.00 C ATOM 495 O ASN B 16 -7.436 -0.364 -11.568 1.00 0.00 O ATOM 496 CB ASN B 16 -8.146 1.701 -9.614 1.00 0.00 C ATOM 497 CG ASN B 16 -6.660 1.882 -9.298 1.00 0.00 C ATOM 498 OD1 ASN B 16 -6.236 1.919 -8.148 1.00 0.00 O ATOM 499 ND2 ASN B 16 -5.872 2.205 -10.300 1.00 0.00 N ATOM 0 H ASN B 16 -8.258 0.221 -7.570 1.00 0.00 H new ATOM 0 HA ASN B 16 -9.714 0.342 -10.106 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -8.329 2.141 -10.594 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -8.710 2.290 -8.890 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -4.908 2.486 -10.121 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -6.225 2.174 -11.257 1.00 0.00 H new ATOM 503 N ALA B 17 -7.937 -1.966 -10.055 1.00 0.00 N ATOM 504 CA ALA B 17 -7.664 -3.219 -10.785 1.00 0.00 C ATOM 505 C ALA B 17 -6.378 -3.355 -11.609 1.00 0.00 C ATOM 506 O ALA B 17 -6.143 -4.365 -12.268 1.00 0.00 O ATOM 507 CB ALA B 17 -8.905 -3.602 -11.609 1.00 0.00 C ATOM 0 H ALA B 17 -8.079 -2.140 -9.060 1.00 0.00 H new ATOM 0 HA ALA B 17 -7.452 -3.927 -9.984 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -8.710 -4.527 -12.151 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -9.755 -3.744 -10.942 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -9.130 -2.806 -12.319 1.00 0.00 H new ATOM 509 N ASP B 18 -5.419 -2.539 -11.211 1.00 0.00 N ATOM 510 CA ASP B 18 -4.108 -2.410 -11.880 1.00 0.00 C ATOM 511 C ASP B 18 -3.013 -3.380 -11.393 1.00 0.00 C ATOM 512 O ASP B 18 -1.952 -3.461 -12.009 1.00 0.00 O ATOM 513 CB ASP B 18 -3.618 -0.955 -11.814 1.00 0.00 C ATOM 514 CG ASP B 18 -3.445 -0.320 -10.423 1.00 0.00 C ATOM 515 OD1 ASP B 18 -3.877 -0.953 -9.438 1.00 0.00 O ATOM 516 OD2 ASP B 18 -2.898 0.801 -10.385 1.00 0.00 O ATOM 0 H ASP B 18 -5.517 -1.929 -10.399 1.00 0.00 H new ATOM 0 HA ASP B 18 -4.289 -2.704 -12.914 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -2.659 -0.901 -12.329 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.318 -0.340 -12.379 1.00 0.00 H new ATOM 518 N GLY B 19 -3.293 -4.107 -10.309 1.00 0.00 N ATOM 519 CA GLY B 19 -2.282 -4.883 -9.547 1.00 0.00 C ATOM 520 C GLY B 19 -1.304 -3.969 -8.785 1.00 0.00 C ATOM 521 O GLY B 19 -0.135 -4.317 -8.588 1.00 0.00 O ATOM 0 H GLY B 19 -4.234 -4.182 -9.923 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -2.788 -5.541 -8.840 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -1.723 -5.520 -10.232 1.00 0.00 H new ATOM 523 N TYR B 20 -1.793 -2.785 -8.446 1.00 0.00 N ATOM 524 CA TYR B 20 -1.102 -1.784 -7.621 1.00 0.00 C ATOM 525 C TYR B 20 -2.114 -1.113 -6.677 1.00 0.00 C ATOM 526 O TYR B 20 -3.315 -1.348 -6.731 1.00 0.00 O ATOM 527 CB TYR B 20 -0.529 -0.668 -8.496 1.00 0.00 C ATOM 528 CG TYR B 20 0.356 -1.126 -9.662 1.00 0.00 C ATOM 529 CD1 TYR B 20 1.607 -1.701 -9.360 1.00 0.00 C ATOM 530 CD2 TYR B 20 -0.084 -0.980 -10.992 1.00 0.00 C ATOM 531 CE1 TYR B 20 2.432 -2.152 -10.407 1.00 0.00 C ATOM 532 CE2 TYR B 20 0.734 -1.429 -12.046 1.00 0.00 C ATOM 533 CZ TYR B 20 1.977 -2.023 -11.741 1.00 0.00 C ATOM 534 OH TYR B 20 2.768 -2.462 -12.751 1.00 0.00 O ATOM 0 H TYR B 20 -2.718 -2.476 -8.746 1.00 0.00 H new ATOM 0 HA TYR B 20 -0.309 -2.294 -7.074 1.00 0.00 H new ATOM 0 HB2 TYR B 20 -1.358 -0.086 -8.900 1.00 0.00 H new ATOM 0 HB3 TYR B 20 0.053 0.002 -7.863 1.00 0.00 H new ATOM 0 HD1 TYR B 20 1.930 -1.795 -8.334 1.00 0.00 H new ATOM 0 HD2 TYR B 20 -1.042 -0.527 -11.202 1.00 0.00 H new ATOM 0 HE1 TYR B 20 3.397 -2.589 -10.196 1.00 0.00 H new ATOM 0 HE2 TYR B 20 0.415 -1.321 -13.072 1.00 0.00 H new ATOM 0 HH TYR B 20 2.320 -2.307 -13.609 1.00 0.00 H new ATOM 537 N ILE B 21 -1.555 -0.335 -5.762 1.00 0.00 N ATOM 538 CA ILE B 21 -2.285 0.597 -4.888 1.00 0.00 C ATOM 539 C ILE B 21 -1.797 2.030 -5.157 1.00 0.00 C ATOM 540 O ILE B 21 -0.613 2.257 -5.402 1.00 0.00 O ATOM 541 CB ILE B 21 -2.242 0.144 -3.428 1.00 0.00 C ATOM 542 CG1 ILE B 21 -3.360 -0.845 -3.096 1.00 0.00 C ATOM 543 CG2 ILE B 21 -2.251 1.245 -2.355 1.00 0.00 C ATOM 544 CD1 ILE B 21 -3.071 -2.283 -3.544 1.00 0.00 C ATOM 0 H ILE B 21 -0.549 -0.328 -5.595 1.00 0.00 H new ATOM 0 HA ILE B 21 -3.349 0.594 -5.123 1.00 0.00 H new ATOM 0 HB ILE B 21 -1.260 -0.325 -3.377 1.00 0.00 H new ATOM 0 HG12 ILE B 21 -3.530 -0.838 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE B 21 -4.283 -0.507 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE B 21 -2.218 0.789 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE B 21 -1.382 1.889 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE B 21 -3.160 1.839 -2.450 1.00 0.00 H new ATOM 0 HD11 ILE B 21 -3.910 -2.924 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE B 21 -2.931 -2.306 -4.625 1.00 0.00 H new ATOM 0 HD13 ILE B 21 -2.167 -2.642 -3.053 1.00 0.00 H new ATOM 546 N ASP B 22 -2.737 2.970 -5.161 1.00 0.00 N ATOM 547 CA ASP B 22 -2.456 4.425 -5.231 1.00 0.00 C ATOM 548 C ASP B 22 -2.894 5.168 -3.966 1.00 0.00 C ATOM 549 O ASP B 22 -3.556 4.591 -3.110 1.00 0.00 O ATOM 550 CB ASP B 22 -3.099 5.050 -6.469 1.00 0.00 C ATOM 551 CG ASP B 22 -4.234 4.270 -7.141 1.00 0.00 C ATOM 552 OD1 ASP B 22 -5.266 4.142 -6.449 1.00 0.00 O ATOM 553 OD2 ASP B 22 -4.040 3.849 -8.299 1.00 0.00 O ATOM 0 H ASP B 22 -3.733 2.754 -5.116 1.00 0.00 H new ATOM 0 HA ASP B 22 -1.374 4.530 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -3.483 6.031 -6.191 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -2.316 5.212 -7.210 1.00 0.00 H new ATOM 555 N ILE B 23 -2.732 6.481 -4.011 1.00 0.00 N ATOM 556 CA ILE B 23 -2.978 7.372 -2.856 1.00 0.00 C ATOM 557 C ILE B 23 -4.362 7.254 -2.184 1.00 0.00 C ATOM 558 O ILE B 23 -4.433 7.162 -0.963 1.00 0.00 O ATOM 559 CB ILE B 23 -2.579 8.830 -3.202 1.00 0.00 C ATOM 560 CG1 ILE B 23 -2.546 9.753 -1.972 1.00 0.00 C ATOM 561 CG2 ILE B 23 -3.442 9.448 -4.307 1.00 0.00 C ATOM 562 CD1 ILE B 23 -1.374 9.453 -1.035 1.00 0.00 C ATOM 0 H ILE B 23 -2.425 6.975 -4.849 1.00 0.00 H new ATOM 0 HA ILE B 23 -2.320 7.009 -2.066 1.00 0.00 H new ATOM 0 HB ILE B 23 -1.562 8.750 -3.586 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -2.484 10.790 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -3.481 9.650 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -3.110 10.468 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.346 8.857 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -4.485 9.460 -3.990 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -1.403 10.136 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -1.448 8.426 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -0.435 9.583 -1.573 1.00 0.00 H new ATOM 564 N GLU B 24 -5.419 7.107 -2.975 1.00 0.00 N ATOM 565 CA GLU B 24 -6.790 6.915 -2.478 1.00 0.00 C ATOM 566 C GLU B 24 -6.989 5.596 -1.710 1.00 0.00 C ATOM 567 O GLU B 24 -7.328 5.563 -0.524 1.00 0.00 O ATOM 568 CB GLU B 24 -7.744 7.042 -3.675 1.00 0.00 C ATOM 569 CG GLU B 24 -9.215 7.193 -3.307 1.00 0.00 C ATOM 570 CD GLU B 24 -10.049 7.499 -4.564 1.00 0.00 C ATOM 571 OE1 GLU B 24 -10.150 8.693 -4.908 1.00 0.00 O ATOM 572 OE2 GLU B 24 -10.494 6.513 -5.200 1.00 0.00 O ATOM 0 H GLU B 24 -5.354 7.117 -3.993 1.00 0.00 H new ATOM 0 HA GLU B 24 -7.007 7.685 -1.738 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -7.443 7.903 -4.272 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -7.631 6.161 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.575 6.278 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -9.335 7.995 -2.578 1.00 0.00 H new ATOM 574 N GLU B 25 -6.465 4.571 -2.345 1.00 0.00 N ATOM 575 CA GLU B 25 -6.349 3.189 -1.848 1.00 0.00 C ATOM 576 C GLU B 25 -5.454 3.087 -0.602 1.00 0.00 C ATOM 577 O GLU B 25 -5.873 2.533 0.420 1.00 0.00 O ATOM 578 CB GLU B 25 -5.823 2.368 -3.020 1.00 0.00 C ATOM 579 CG GLU B 25 -6.900 2.227 -4.106 1.00 0.00 C ATOM 580 CD GLU B 25 -6.509 1.332 -5.292 1.00 0.00 C ATOM 581 OE1 GLU B 25 -5.302 1.267 -5.604 1.00 0.00 O ATOM 582 OE2 GLU B 25 -7.456 0.762 -5.883 1.00 0.00 O ATOM 0 H GLU B 25 -6.079 4.671 -3.284 1.00 0.00 H new ATOM 0 HA GLU B 25 -7.314 2.810 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -4.937 2.847 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -5.518 1.381 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -7.805 1.826 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -7.146 3.219 -4.484 1.00 0.00 H new ATOM 584 N LEU B 26 -4.310 3.775 -0.648 1.00 0.00 N ATOM 585 CA LEU B 26 -3.403 3.973 0.505 1.00 0.00 C ATOM 586 C LEU B 26 -4.114 4.676 1.674 1.00 0.00 C ATOM 587 O LEU B 26 -3.991 4.222 2.812 1.00 0.00 O ATOM 588 CB LEU B 26 -2.158 4.760 0.068 1.00 0.00 C ATOM 589 CG LEU B 26 -1.058 4.661 1.127 1.00 0.00 C ATOM 590 CD1 LEU B 26 0.061 3.734 0.656 1.00 0.00 C ATOM 591 CD2 LEU B 26 -0.508 6.049 1.444 1.00 0.00 C ATOM 0 H LEU B 26 -3.974 4.222 -1.501 1.00 0.00 H new ATOM 0 HA LEU B 26 -3.092 2.991 0.862 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.791 4.372 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.421 5.805 -0.094 1.00 0.00 H new ATOM 0 HG LEU B 26 -1.487 4.240 2.036 1.00 0.00 H new ATOM 0 HD11 LEU B 26 0.833 3.677 1.423 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -0.344 2.738 0.474 1.00 0.00 H new ATOM 0 HD13 LEU B 26 0.493 4.124 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.274 5.967 2.199 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.093 6.492 0.538 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -1.312 6.681 1.822 1.00 0.00 H new ATOM 593 N GLY B 27 -4.948 5.674 1.365 1.00 0.00 N ATOM 594 CA GLY B 27 -5.841 6.353 2.335 1.00 0.00 C ATOM 595 C GLY B 27 -6.738 5.358 3.077 1.00 0.00 C ATOM 596 O GLY B 27 -6.686 5.279 4.308 1.00 0.00 O ATOM 0 H GLY B 27 -5.030 6.046 0.419 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -5.240 6.908 3.056 1.00 0.00 H new ATOM 0 HA3 GLY B 27 -6.461 7.080 1.811 1.00 0.00 H new ATOM 598 N GLU B 28 -7.392 4.475 2.316 1.00 0.00 N ATOM 599 CA GLU B 28 -8.227 3.377 2.855 1.00 0.00 C ATOM 600 C GLU B 28 -7.482 2.410 3.790 1.00 0.00 C ATOM 601 O GLU B 28 -8.073 1.886 4.733 1.00 0.00 O ATOM 602 CB GLU B 28 -8.898 2.554 1.740 1.00 0.00 C ATOM 603 CG GLU B 28 -10.160 3.189 1.149 1.00 0.00 C ATOM 604 CD GLU B 28 -9.889 4.290 0.125 1.00 0.00 C ATOM 605 OE1 GLU B 28 -9.636 3.928 -1.047 1.00 0.00 O ATOM 606 OE2 GLU B 28 -10.003 5.479 0.509 1.00 0.00 O ATOM 0 H GLU B 28 -7.361 4.496 1.297 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.981 3.897 3.446 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -8.177 2.397 0.938 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -9.153 1.571 2.136 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.758 2.409 0.677 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.759 3.603 1.960 1.00 0.00 H new ATOM 608 N ILE B 29 -6.218 2.128 3.467 1.00 0.00 N ATOM 609 CA ILE B 29 -5.313 1.290 4.290 1.00 0.00 C ATOM 610 C ILE B 29 -4.923 2.061 5.570 1.00 0.00 C ATOM 611 O ILE B 29 -5.309 1.700 6.679 1.00 0.00 O ATOM 612 CB ILE B 29 -4.100 0.825 3.498 1.00 0.00 C ATOM 613 CG1 ILE B 29 -4.489 0.176 2.161 1.00 0.00 C ATOM 614 CG2 ILE B 29 -3.233 -0.167 4.307 1.00 0.00 C ATOM 615 CD1 ILE B 29 -3.359 0.157 1.120 1.00 0.00 C ATOM 0 H ILE B 29 -5.778 2.476 2.615 1.00 0.00 H new ATOM 0 HA ILE B 29 -5.839 0.382 4.585 1.00 0.00 H new ATOM 0 HB ILE B 29 -3.519 1.724 3.292 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.814 -0.848 2.347 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.343 0.711 1.745 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -2.377 -0.475 3.707 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -2.882 0.316 5.219 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -3.828 -1.042 4.567 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.715 -0.317 0.205 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -3.048 1.179 0.902 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -2.511 -0.404 1.513 1.00 0.00 H new ATOM 617 N LEU B 30 -4.301 3.224 5.374 1.00 0.00 N ATOM 618 CA LEU B 30 -3.657 4.053 6.403 1.00 0.00 C ATOM 619 C LEU B 30 -4.549 5.004 7.228 1.00 0.00 C ATOM 620 O LEU B 30 -4.046 5.711 8.108 1.00 0.00 O ATOM 621 CB LEU B 30 -2.600 4.938 5.748 1.00 0.00 C ATOM 622 CG LEU B 30 -1.208 4.311 5.725 1.00 0.00 C ATOM 623 CD1 LEU B 30 -1.087 3.198 4.681 1.00 0.00 C ATOM 624 CD2 LEU B 30 -0.160 5.383 5.427 1.00 0.00 C ATOM 0 H LEU B 30 -4.227 3.638 4.445 1.00 0.00 H new ATOM 0 HA LEU B 30 -3.276 3.309 7.103 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -2.906 5.160 4.726 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -2.553 5.888 6.280 1.00 0.00 H new ATOM 0 HG LEU B 30 -1.040 3.872 6.708 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -0.079 2.785 4.705 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -1.807 2.411 4.904 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -1.289 3.605 3.690 1.00 0.00 H new ATOM 0 HD21 LEU B 30 0.831 4.929 5.412 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -0.367 5.834 4.457 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -0.195 6.151 6.199 1.00 0.00 H new