USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 426 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 Single : A 6 THR OG1 : rot -92:sc= 0.362 USER MOD Single : A 7 SER OG : rot 81:sc= 1.28 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.862) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.43 X(o=-1.4,f=-1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.00508 X(o=0.0051,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -122:sc= 0.967 (180deg=-0.937) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 34 GLN : amide:sc= -0.945 K(o=-0.94,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 41 THR OG1 : rot 124:sc= 0.718 USER MOD Single : A 47 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -5.387 8.312 -2.435 1.00 0.00 N ATOM 35 CA LEU A 3 -5.078 8.768 -1.091 1.00 0.00 C ATOM 36 C LEU A 3 -3.704 9.416 -1.056 1.00 0.00 C ATOM 37 O LEU A 3 -2.985 9.426 -2.056 1.00 0.00 O ATOM 38 CB LEU A 3 -5.143 7.613 -0.088 1.00 0.00 C ATOM 39 CG LEU A 3 -6.537 7.032 0.152 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.490 5.990 1.257 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.525 8.132 0.506 1.00 0.00 C ATOM 0 HA LEU A 3 -5.826 9.508 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.490 6.813 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.743 7.959 0.865 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.872 6.553 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.489 5.585 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.814 5.185 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.134 6.452 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.510 7.696 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.195 8.640 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.579 8.850 -0.313 1.00 0.00 H new ATOM 53 N ARG A 4 -3.349 9.957 0.096 1.00 0.00 N ATOM 54 CA ARG A 4 -2.073 10.627 0.266 1.00 0.00 C ATOM 55 C ARG A 4 -0.991 9.626 0.633 1.00 0.00 C ATOM 56 O ARG A 4 -1.018 9.017 1.705 1.00 0.00 O ATOM 57 CB ARG A 4 -2.182 11.726 1.328 1.00 0.00 C ATOM 58 CG ARG A 4 -3.070 12.874 0.892 1.00 0.00 C ATOM 59 CD ARG A 4 -3.164 13.961 1.948 1.00 0.00 C ATOM 60 NE ARG A 4 -3.887 15.133 1.448 1.00 0.00 N ATOM 61 CZ ARG A 4 -4.438 16.066 2.224 1.00 0.00 C ATOM 62 NH1 ARG A 4 -4.430 15.936 3.545 1.00 0.00 N ATOM 63 NH2 ARG A 4 -5.026 17.115 1.670 1.00 0.00 N ATOM 0 H ARG A 4 -3.932 9.945 0.933 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.798 11.094 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.576 11.297 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.186 12.108 1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.681 13.301 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.068 12.496 0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.669 13.570 2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.162 14.256 2.259 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.975 15.242 0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.000 15.117 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.854 16.655 4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -5.056 17.206 0.654 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.449 17.832 2.259 1.00 0.00 H new ATOM 77 N TRP A 5 -0.054 9.447 -0.279 1.00 0.00 N ATOM 78 CA TRP A 5 1.021 8.494 -0.087 1.00 0.00 C ATOM 79 C TRP A 5 2.249 9.170 0.505 1.00 0.00 C ATOM 80 O TRP A 5 2.767 10.140 -0.051 1.00 0.00 O ATOM 81 CB TRP A 5 1.380 7.820 -1.414 1.00 0.00 C ATOM 82 CG TRP A 5 0.350 6.839 -1.884 1.00 0.00 C ATOM 83 CD1 TRP A 5 -0.899 7.114 -2.366 1.00 0.00 C ATOM 84 CD2 TRP A 5 0.484 5.414 -1.907 1.00 0.00 C ATOM 85 NE1 TRP A 5 -1.552 5.944 -2.680 1.00 0.00 N ATOM 86 CE2 TRP A 5 -0.721 4.889 -2.409 1.00 0.00 C ATOM 87 CE3 TRP A 5 1.506 4.533 -1.545 1.00 0.00 C ATOM 88 CZ2 TRP A 5 -0.926 3.524 -2.566 1.00 0.00 C ATOM 89 CZ3 TRP A 5 1.300 3.177 -1.701 1.00 0.00 C ATOM 90 CH2 TRP A 5 0.091 2.685 -2.205 1.00 0.00 C ATOM 0 H TRP A 5 -0.017 9.952 -1.164 1.00 0.00 H new ATOM 0 HA TRP A 5 0.677 7.734 0.614 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.515 8.587 -2.177 1.00 0.00 H new ATOM 0 HB3 TRP A 5 2.336 7.307 -1.305 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.313 8.105 -2.483 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.499 5.874 -3.053 1.00 0.00 H new ATOM 0 HE3 TRP A 5 2.440 4.906 -1.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.856 3.140 -2.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 2.084 2.485 -1.430 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.042 1.618 -2.311 1.00 0.00 H new ATOM 101 N THR A 6 2.704 8.653 1.638 1.00 0.00 N ATOM 102 CA THR A 6 3.914 9.149 2.275 1.00 0.00 C ATOM 103 C THR A 6 5.135 8.787 1.435 1.00 0.00 C ATOM 104 O THR A 6 5.075 7.870 0.612 1.00 0.00 O ATOM 105 CB THR A 6 4.072 8.569 3.696 1.00 0.00 C ATOM 106 OG1 THR A 6 3.991 7.141 3.657 1.00 0.00 O ATOM 107 CG2 THR A 6 3.002 9.103 4.630 1.00 0.00 C ATOM 0 H THR A 6 2.250 7.887 2.136 1.00 0.00 H new ATOM 0 HA THR A 6 3.833 10.233 2.352 1.00 0.00 H new ATOM 0 HB THR A 6 5.049 8.874 4.072 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.063 6.862 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.140 8.676 5.623 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.078 10.189 4.688 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.018 8.828 4.251 1.00 0.00 H new ATOM 115 N SER A 7 6.233 9.502 1.634 1.00 0.00 N ATOM 116 CA SER A 7 7.465 9.237 0.902 1.00 0.00 C ATOM 117 C SER A 7 7.934 7.796 1.118 1.00 0.00 C ATOM 118 O SER A 7 8.441 7.144 0.198 1.00 0.00 O ATOM 119 CB SER A 7 8.536 10.235 1.341 1.00 0.00 C ATOM 120 OG SER A 7 8.309 10.654 2.680 1.00 0.00 O ATOM 0 H SER A 7 6.297 10.273 2.299 1.00 0.00 H new ATOM 0 HA SER A 7 7.279 9.359 -0.165 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.522 9.778 1.259 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.529 11.100 0.677 1.00 0.00 H new ATOM 0 HG SER A 7 8.657 9.978 3.298 1.00 0.00 H new ATOM 126 N GLU A 8 7.725 7.296 2.327 1.00 0.00 N ATOM 127 CA GLU A 8 8.082 5.928 2.667 1.00 0.00 C ATOM 128 C GLU A 8 7.136 4.952 1.977 1.00 0.00 C ATOM 129 O GLU A 8 7.564 3.936 1.435 1.00 0.00 O ATOM 130 CB GLU A 8 8.040 5.712 4.186 1.00 0.00 C ATOM 131 CG GLU A 8 8.985 6.607 4.980 1.00 0.00 C ATOM 132 CD GLU A 8 8.546 8.057 5.001 1.00 0.00 C ATOM 133 OE1 GLU A 8 7.520 8.360 5.641 1.00 0.00 O ATOM 134 OE2 GLU A 8 9.218 8.895 4.365 1.00 0.00 O ATOM 0 H GLU A 8 7.307 7.823 3.094 1.00 0.00 H new ATOM 0 HA GLU A 8 9.100 5.746 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.021 5.880 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.282 4.671 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.052 6.238 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.985 6.542 4.551 1.00 0.00 H new ATOM 141 N ALA A 9 5.847 5.281 1.986 1.00 0.00 N ATOM 142 CA ALA A 9 4.833 4.442 1.357 1.00 0.00 C ATOM 143 C ALA A 9 5.092 4.285 -0.136 1.00 0.00 C ATOM 144 O ALA A 9 5.038 3.181 -0.667 1.00 0.00 O ATOM 145 CB ALA A 9 3.446 5.016 1.589 1.00 0.00 C ATOM 0 H ALA A 9 5.480 6.126 2.424 1.00 0.00 H new ATOM 0 HA ALA A 9 4.889 3.455 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.703 4.376 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.248 5.067 2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.390 6.017 1.162 1.00 0.00 H new ATOM 151 N LYS A 10 5.377 5.399 -0.803 1.00 0.00 N ATOM 152 CA LYS A 10 5.687 5.385 -2.230 1.00 0.00 C ATOM 153 C LYS A 10 6.910 4.515 -2.513 1.00 0.00 C ATOM 154 O LYS A 10 6.949 3.784 -3.504 1.00 0.00 O ATOM 155 CB LYS A 10 5.911 6.814 -2.725 1.00 0.00 C ATOM 156 CG LYS A 10 4.676 7.685 -2.571 1.00 0.00 C ATOM 157 CD LYS A 10 4.989 9.162 -2.735 1.00 0.00 C ATOM 158 CE LYS A 10 5.377 9.515 -4.160 1.00 0.00 C ATOM 159 NZ LYS A 10 5.594 10.977 -4.320 1.00 0.00 N ATOM 0 H LYS A 10 5.400 6.326 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 10 4.842 4.954 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.738 7.261 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.205 6.789 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.931 7.389 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.235 7.516 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.119 9.750 -2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.801 9.436 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.286 8.979 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.594 9.185 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.858 11.183 -5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.719 11.486 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.358 11.286 -3.685 1.00 0.00 H new ATOM 173 N THR A 11 7.894 4.581 -1.624 1.00 0.00 N ATOM 174 CA THR A 11 9.091 3.756 -1.741 1.00 0.00 C ATOM 175 C THR A 11 8.740 2.275 -1.581 1.00 0.00 C ATOM 176 O THR A 11 9.222 1.426 -2.331 1.00 0.00 O ATOM 177 CB THR A 11 10.142 4.160 -0.690 1.00 0.00 C ATOM 178 OG1 THR A 11 10.443 5.558 -0.820 1.00 0.00 O ATOM 179 CG2 THR A 11 11.418 3.345 -0.851 1.00 0.00 C ATOM 0 H THR A 11 7.887 5.199 -0.812 1.00 0.00 H new ATOM 0 HA THR A 11 9.512 3.916 -2.734 1.00 0.00 H new ATOM 0 HB THR A 11 9.731 3.962 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.790 6.082 -0.311 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.143 3.651 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.191 2.286 -0.728 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.835 3.514 -1.844 1.00 0.00 H new ATOM 187 N LYS A 12 7.885 1.981 -0.610 1.00 0.00 N ATOM 188 CA LYS A 12 7.427 0.616 -0.370 1.00 0.00 C ATOM 189 C LYS A 12 6.587 0.113 -1.544 1.00 0.00 C ATOM 190 O LYS A 12 6.612 -1.073 -1.874 1.00 0.00 O ATOM 191 CB LYS A 12 6.608 0.554 0.921 1.00 0.00 C ATOM 192 CG LYS A 12 7.418 0.787 2.186 1.00 0.00 C ATOM 193 CD LYS A 12 8.295 -0.409 2.514 1.00 0.00 C ATOM 194 CE LYS A 12 9.029 -0.224 3.831 1.00 0.00 C ATOM 195 NZ LYS A 12 9.731 -1.466 4.246 1.00 0.00 N ATOM 0 H LYS A 12 7.492 2.673 0.028 1.00 0.00 H new ATOM 0 HA LYS A 12 8.302 -0.026 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.813 1.298 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.127 -0.422 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.041 1.673 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.744 0.985 3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.681 -1.308 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.018 -0.561 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.750 0.587 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.320 0.070 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.405 -1.246 5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.036 -2.160 4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.244 -1.863 3.433 1.00 0.00 H new ATOM 209 N LEU A 13 5.849 1.024 -2.169 1.00 0.00 N ATOM 210 CA LEU A 13 5.011 0.685 -3.314 1.00 0.00 C ATOM 211 C LEU A 13 5.875 0.218 -4.481 1.00 0.00 C ATOM 212 O LEU A 13 5.491 -0.675 -5.235 1.00 0.00 O ATOM 213 CB LEU A 13 4.158 1.893 -3.729 1.00 0.00 C ATOM 214 CG LEU A 13 3.103 1.613 -4.806 1.00 0.00 C ATOM 215 CD1 LEU A 13 2.115 0.554 -4.329 1.00 0.00 C ATOM 216 CD2 LEU A 13 2.369 2.895 -5.183 1.00 0.00 C ATOM 0 H LEU A 13 5.814 2.007 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 13 4.343 -0.128 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.655 2.283 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.822 2.679 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 13 3.612 1.233 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.375 0.370 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.650 -0.370 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.613 0.904 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.624 2.676 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.874 3.304 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.083 3.623 -5.569 1.00 0.00 H new ATOM 228 N LYS A 14 7.058 0.811 -4.604 1.00 0.00 N ATOM 229 CA LYS A 14 8.002 0.443 -5.656 1.00 0.00 C ATOM 230 C LYS A 14 8.529 -0.973 -5.450 1.00 0.00 C ATOM 231 O LYS A 14 9.008 -1.610 -6.390 1.00 0.00 O ATOM 232 CB LYS A 14 9.174 1.421 -5.683 1.00 0.00 C ATOM 233 CG LYS A 14 8.760 2.862 -5.938 1.00 0.00 C ATOM 234 CD LYS A 14 9.940 3.811 -5.830 1.00 0.00 C ATOM 235 CE LYS A 14 9.508 5.255 -5.996 1.00 0.00 C ATOM 236 NZ LYS A 14 10.645 6.192 -5.808 1.00 0.00 N ATOM 0 H LYS A 14 7.388 1.552 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 14 7.472 0.484 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.703 1.367 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.877 1.111 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.317 2.943 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.992 3.153 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.423 3.684 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.680 3.562 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.081 5.395 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.723 5.485 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.313 7.170 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.037 6.075 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.383 5.988 -6.512 1.00 0.00 H new ATOM 250 N ASN A 15 8.435 -1.464 -4.220 1.00 0.00 N ATOM 251 CA ASN A 15 8.918 -2.801 -3.894 1.00 0.00 C ATOM 252 C ASN A 15 7.927 -3.854 -4.366 1.00 0.00 C ATOM 253 O ASN A 15 8.228 -5.048 -4.383 1.00 0.00 O ATOM 254 CB ASN A 15 9.145 -2.955 -2.387 1.00 0.00 C ATOM 255 CG ASN A 15 10.120 -1.938 -1.823 1.00 0.00 C ATOM 256 OD1 ASN A 15 11.011 -1.450 -2.521 1.00 0.00 O ATOM 257 ND2 ASN A 15 9.968 -1.619 -0.549 1.00 0.00 N ATOM 0 H ASN A 15 8.029 -0.958 -3.433 1.00 0.00 H new ATOM 0 HA ASN A 15 9.869 -2.942 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.190 -2.859 -1.870 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.518 -3.959 -2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.600 -0.948 -0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.219 -2.044 -0.003 1.00 0.00 H new ATOM 264 N ILE A 16 6.738 -3.406 -4.741 1.00 0.00 N ATOM 265 CA ILE A 16 5.696 -4.298 -5.220 1.00 0.00 C ATOM 266 C ILE A 16 5.801 -4.467 -6.735 1.00 0.00 C ATOM 267 O ILE A 16 5.970 -3.479 -7.458 1.00 0.00 O ATOM 268 CB ILE A 16 4.294 -3.763 -4.847 1.00 0.00 C ATOM 269 CG1 ILE A 16 4.250 -3.427 -3.353 1.00 0.00 C ATOM 270 CG2 ILE A 16 3.212 -4.776 -5.208 1.00 0.00 C ATOM 271 CD1 ILE A 16 2.905 -2.935 -2.870 1.00 0.00 C ATOM 0 H ILE A 16 6.471 -2.422 -4.722 1.00 0.00 H new ATOM 0 HA ILE A 16 5.834 -5.267 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 16 4.100 -2.855 -5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.526 -4.315 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.001 -2.666 -3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.235 -4.377 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.239 -4.971 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.388 -5.705 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.958 -2.719 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.634 -2.028 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.152 -3.702 -3.048 1.00 0.00 H new ATOM 283 N PRO A 17 5.726 -5.722 -7.229 1.00 0.00 N ATOM 284 CA PRO A 17 5.767 -6.023 -8.665 1.00 0.00 C ATOM 285 C PRO A 17 4.850 -5.111 -9.475 1.00 0.00 C ATOM 286 O PRO A 17 3.714 -4.859 -9.081 1.00 0.00 O ATOM 287 CB PRO A 17 5.276 -7.467 -8.731 1.00 0.00 C ATOM 288 CG PRO A 17 5.682 -8.061 -7.428 1.00 0.00 C ATOM 289 CD PRO A 17 5.605 -6.950 -6.416 1.00 0.00 C ATOM 0 HA PRO A 17 6.761 -5.873 -9.088 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.196 -7.513 -8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.726 -8.001 -9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.022 -8.884 -7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.692 -8.467 -7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.664 -6.974 -5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.406 -7.023 -5.680 1.00 0.00 H new ATOM 297 N PHE A 18 5.349 -4.639 -10.612 1.00 0.00 N ATOM 298 CA PHE A 18 4.666 -3.623 -11.414 1.00 0.00 C ATOM 299 C PHE A 18 3.210 -3.993 -11.720 1.00 0.00 C ATOM 300 O PHE A 18 2.303 -3.179 -11.535 1.00 0.00 O ATOM 301 CB PHE A 18 5.433 -3.388 -12.720 1.00 0.00 C ATOM 302 CG PHE A 18 4.757 -2.422 -13.651 1.00 0.00 C ATOM 303 CD1 PHE A 18 4.749 -1.065 -13.374 1.00 0.00 C ATOM 304 CD2 PHE A 18 4.124 -2.872 -14.798 1.00 0.00 C ATOM 305 CE1 PHE A 18 4.124 -0.176 -14.225 1.00 0.00 C ATOM 306 CE2 PHE A 18 3.497 -1.986 -15.652 1.00 0.00 C ATOM 307 CZ PHE A 18 3.496 -0.636 -15.365 1.00 0.00 C ATOM 0 H PHE A 18 6.238 -4.948 -11.006 1.00 0.00 H new ATOM 0 HA PHE A 18 4.646 -2.707 -10.824 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.429 -3.015 -12.484 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.563 -4.342 -13.232 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.237 -0.699 -12.483 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.121 -3.927 -15.027 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.126 0.880 -13.999 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.008 -2.349 -16.544 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.005 0.059 -16.031 1.00 0.00 H new ATOM 317 N PHE A 19 2.988 -5.222 -12.171 1.00 0.00 N ATOM 318 CA PHE A 19 1.658 -5.653 -12.599 1.00 0.00 C ATOM 319 C PHE A 19 0.701 -5.800 -11.418 1.00 0.00 C ATOM 320 O PHE A 19 -0.506 -5.625 -11.560 1.00 0.00 O ATOM 321 CB PHE A 19 1.748 -6.969 -13.369 1.00 0.00 C ATOM 322 CG PHE A 19 2.614 -6.885 -14.593 1.00 0.00 C ATOM 323 CD1 PHE A 19 2.222 -6.126 -15.684 1.00 0.00 C ATOM 324 CD2 PHE A 19 3.820 -7.563 -14.651 1.00 0.00 C ATOM 325 CE1 PHE A 19 3.018 -6.044 -16.809 1.00 0.00 C ATOM 326 CE2 PHE A 19 4.618 -7.485 -15.774 1.00 0.00 C ATOM 327 CZ PHE A 19 4.216 -6.726 -16.855 1.00 0.00 C ATOM 0 H PHE A 19 3.709 -5.939 -12.251 1.00 0.00 H new ATOM 0 HA PHE A 19 1.259 -4.879 -13.255 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.140 -7.742 -12.708 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.745 -7.279 -13.663 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.283 -5.593 -15.654 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.139 -8.159 -13.809 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.703 -5.447 -17.652 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.557 -8.018 -15.807 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.839 -6.666 -17.735 1.00 0.00 H new ATOM 337 N ALA A 20 1.244 -6.107 -10.248 1.00 0.00 N ATOM 338 CA ALA A 20 0.421 -6.298 -9.062 1.00 0.00 C ATOM 339 C ALA A 20 0.377 -5.030 -8.219 1.00 0.00 C ATOM 340 O ALA A 20 -0.383 -4.937 -7.261 1.00 0.00 O ATOM 341 CB ALA A 20 0.947 -7.462 -8.240 1.00 0.00 C ATOM 0 H ALA A 20 2.245 -6.229 -10.095 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.595 -6.525 -9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.323 -7.594 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.923 -8.371 -8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.972 -7.257 -7.933 1.00 0.00 H new ATOM 347 N ARG A 21 1.182 -4.047 -8.601 1.00 0.00 N ATOM 348 CA ARG A 21 1.327 -2.820 -7.830 1.00 0.00 C ATOM 349 C ARG A 21 0.027 -2.028 -7.802 1.00 0.00 C ATOM 350 O ARG A 21 -0.366 -1.510 -6.760 1.00 0.00 O ATOM 351 CB ARG A 21 2.454 -1.965 -8.410 1.00 0.00 C ATOM 352 CG ARG A 21 2.808 -0.764 -7.551 1.00 0.00 C ATOM 353 CD ARG A 21 3.996 -0.007 -8.116 1.00 0.00 C ATOM 354 NE ARG A 21 5.168 -0.864 -8.254 1.00 0.00 N ATOM 355 CZ ARG A 21 6.288 -0.506 -8.876 1.00 0.00 C ATOM 356 NH1 ARG A 21 6.407 0.706 -9.406 1.00 0.00 N ATOM 357 NH2 ARG A 21 7.295 -1.363 -8.955 1.00 0.00 N ATOM 0 H ARG A 21 1.749 -4.077 -9.448 1.00 0.00 H new ATOM 0 HA ARG A 21 1.576 -3.093 -6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.341 -2.585 -8.536 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.163 -1.619 -9.402 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.948 -0.097 -7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.034 -1.094 -6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.733 0.409 -9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.235 0.833 -7.464 1.00 0.00 H new ATOM 0 HE ARG A 21 5.126 -1.798 -7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.636 1.370 -9.338 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.269 0.972 -9.881 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.209 -2.291 -8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.157 -1.095 -9.431 1.00 0.00 H new ATOM 371 N SER A 22 -0.643 -1.950 -8.946 1.00 0.00 N ATOM 372 CA SER A 22 -1.914 -1.240 -9.039 1.00 0.00 C ATOM 373 C SER A 22 -2.971 -1.943 -8.183 1.00 0.00 C ATOM 374 O SER A 22 -3.799 -1.301 -7.534 1.00 0.00 O ATOM 375 CB SER A 22 -2.363 -1.161 -10.505 1.00 0.00 C ATOM 376 OG SER A 22 -3.500 -0.328 -10.660 1.00 0.00 O ATOM 0 H SER A 22 -0.328 -2.369 -9.821 1.00 0.00 H new ATOM 0 HA SER A 22 -1.787 -0.225 -8.662 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.545 -0.779 -11.116 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.593 -2.162 -10.870 1.00 0.00 H new ATOM 0 HG SER A 22 -3.758 -0.299 -11.605 1.00 0.00 H new ATOM 382 N GLN A 23 -2.899 -3.268 -8.157 1.00 0.00 N ATOM 383 CA GLN A 23 -3.835 -4.083 -7.399 1.00 0.00 C ATOM 384 C GLN A 23 -3.560 -3.958 -5.902 1.00 0.00 C ATOM 385 O GLN A 23 -4.481 -3.797 -5.092 1.00 0.00 O ATOM 386 CB GLN A 23 -3.717 -5.534 -7.867 1.00 0.00 C ATOM 387 CG GLN A 23 -4.597 -6.515 -7.120 1.00 0.00 C ATOM 388 CD GLN A 23 -4.593 -7.886 -7.766 1.00 0.00 C ATOM 389 OE1 GLN A 23 -5.436 -8.186 -8.610 1.00 0.00 O ATOM 390 NE2 GLN A 23 -3.636 -8.717 -7.394 1.00 0.00 N ATOM 0 H GLN A 23 -2.192 -3.805 -8.660 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.854 -3.736 -7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.964 -5.580 -8.928 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.679 -5.850 -7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.253 -6.599 -6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.617 -6.133 -7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.956 -8.429 -6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.577 -9.646 -7.810 1.00 0.00 H new ATOM 399 N ALA A 24 -2.285 -4.013 -5.539 1.00 0.00 N ATOM 400 CA ALA A 24 -1.883 -3.834 -4.156 1.00 0.00 C ATOM 401 C ALA A 24 -2.229 -2.432 -3.684 1.00 0.00 C ATOM 402 O ALA A 24 -2.726 -2.257 -2.578 1.00 0.00 O ATOM 403 CB ALA A 24 -0.399 -4.103 -3.988 1.00 0.00 C ATOM 0 H ALA A 24 -1.514 -4.180 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.429 -4.551 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.120 -3.963 -2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.179 -5.127 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.169 -3.412 -4.611 1.00 0.00 H new ATOM 409 N LYS A 25 -1.982 -1.442 -4.540 1.00 0.00 N ATOM 410 CA LYS A 25 -2.307 -0.050 -4.241 1.00 0.00 C ATOM 411 C LYS A 25 -3.767 0.089 -3.827 1.00 0.00 C ATOM 412 O LYS A 25 -4.081 0.784 -2.860 1.00 0.00 O ATOM 413 CB LYS A 25 -2.031 0.837 -5.457 1.00 0.00 C ATOM 414 CG LYS A 25 -2.442 2.284 -5.252 1.00 0.00 C ATOM 415 CD LYS A 25 -2.183 3.128 -6.486 1.00 0.00 C ATOM 416 CE LYS A 25 -2.561 4.580 -6.256 1.00 0.00 C ATOM 417 NZ LYS A 25 -4.008 4.743 -5.949 1.00 0.00 N ATOM 0 H LYS A 25 -1.553 -1.582 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.675 0.271 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.967 0.799 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.562 0.435 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.501 2.328 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.894 2.700 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.129 3.064 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.753 2.731 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.969 4.982 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.312 5.163 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.441 5.381 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.478 3.816 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.118 5.146 -4.997 1.00 0.00 H new ATOM 431 N ALA A 26 -4.648 -0.582 -4.564 1.00 0.00 N ATOM 432 CA ALA A 26 -6.067 -0.578 -4.248 1.00 0.00 C ATOM 433 C ALA A 26 -6.297 -1.071 -2.823 1.00 0.00 C ATOM 434 O ALA A 26 -7.027 -0.451 -2.057 1.00 0.00 O ATOM 435 CB ALA A 26 -6.838 -1.437 -5.241 1.00 0.00 C ATOM 0 H ALA A 26 -4.400 -1.135 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.434 0.446 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.898 -1.422 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.699 -1.043 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.469 -2.462 -5.198 1.00 0.00 H new ATOM 441 N ARG A 27 -5.651 -2.180 -2.471 1.00 0.00 N ATOM 442 CA ARG A 27 -5.779 -2.734 -1.124 1.00 0.00 C ATOM 443 C ARG A 27 -5.140 -1.830 -0.073 1.00 0.00 C ATOM 444 O ARG A 27 -5.719 -1.614 0.989 1.00 0.00 O ATOM 445 CB ARG A 27 -5.169 -4.132 -1.045 1.00 0.00 C ATOM 446 CG ARG A 27 -6.044 -5.198 -1.674 1.00 0.00 C ATOM 447 CD ARG A 27 -5.676 -6.591 -1.193 1.00 0.00 C ATOM 448 NE ARG A 27 -5.738 -6.705 0.264 1.00 0.00 N ATOM 449 CZ ARG A 27 -6.866 -6.805 0.971 1.00 0.00 C ATOM 450 NH1 ARG A 27 -8.052 -6.758 0.368 1.00 0.00 N ATOM 451 NH2 ARG A 27 -6.798 -6.954 2.283 1.00 0.00 N ATOM 0 H ARG A 27 -5.039 -2.709 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.846 -2.800 -0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.199 -4.127 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.991 -4.386 -0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.089 -4.996 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.949 -5.152 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.351 -7.319 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.670 -6.837 -1.533 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.856 -6.708 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.105 -6.645 -0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.907 -6.835 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.890 -6.992 2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.654 -7.031 2.833 1.00 0.00 H new ATOM 465 N ILE A 28 -3.957 -1.298 -0.373 1.00 0.00 N ATOM 466 CA ILE A 28 -3.237 -0.425 0.554 1.00 0.00 C ATOM 467 C ILE A 28 -4.090 0.772 0.953 1.00 0.00 C ATOM 468 O ILE A 28 -4.199 1.104 2.137 1.00 0.00 O ATOM 469 CB ILE A 28 -1.916 0.088 -0.056 1.00 0.00 C ATOM 470 CG1 ILE A 28 -1.005 -1.084 -0.409 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.213 1.030 0.913 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.146 -0.700 -1.310 1.00 0.00 C ATOM 0 H ILE A 28 -3.473 -1.457 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.012 -1.025 1.436 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.147 0.638 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.609 -1.516 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.596 -1.859 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.283 1.383 0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.859 1.882 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.993 0.501 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.753 -1.581 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.243 -0.295 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.759 0.053 -0.816 1.00 0.00 H new ATOM 484 N GLU A 29 -4.701 1.416 -0.032 1.00 0.00 N ATOM 485 CA GLU A 29 -5.545 2.565 0.242 1.00 0.00 C ATOM 486 C GLU A 29 -6.778 2.151 1.034 1.00 0.00 C ATOM 487 O GLU A 29 -7.206 2.868 1.934 1.00 0.00 O ATOM 488 CB GLU A 29 -5.942 3.284 -1.046 1.00 0.00 C ATOM 489 CG GLU A 29 -4.774 3.976 -1.730 1.00 0.00 C ATOM 490 CD GLU A 29 -5.210 4.901 -2.846 1.00 0.00 C ATOM 491 OE1 GLU A 29 -6.424 4.975 -3.126 1.00 0.00 O ATOM 492 OE2 GLU A 29 -4.333 5.565 -3.449 1.00 0.00 O ATOM 0 H GLU A 29 -4.628 1.164 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.968 3.265 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.383 2.564 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.712 4.022 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.212 4.547 -0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.097 3.223 -2.133 1.00 0.00 H new ATOM 499 N GLN A 30 -7.324 0.980 0.721 1.00 0.00 N ATOM 500 CA GLN A 30 -8.466 0.450 1.463 1.00 0.00 C ATOM 501 C GLN A 30 -8.091 0.216 2.924 1.00 0.00 C ATOM 502 O GLN A 30 -8.902 0.420 3.823 1.00 0.00 O ATOM 503 CB GLN A 30 -8.969 -0.853 0.837 1.00 0.00 C ATOM 504 CG GLN A 30 -9.577 -0.674 -0.545 1.00 0.00 C ATOM 505 CD GLN A 30 -10.014 -1.986 -1.168 1.00 0.00 C ATOM 506 OE1 GLN A 30 -10.402 -2.923 -0.468 1.00 0.00 O ATOM 507 NE2 GLN A 30 -9.947 -2.068 -2.488 1.00 0.00 N ATOM 0 H GLN A 30 -6.997 0.381 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.268 1.187 1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.140 -1.557 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.714 -1.299 1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.435 -0.006 -0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.849 -0.191 -1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.620 -1.270 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.222 -2.929 -2.960 1.00 0.00 H new ATOM 516 N LEU A 31 -6.850 -0.196 3.156 1.00 0.00 N ATOM 517 CA LEU A 31 -6.351 -0.413 4.508 1.00 0.00 C ATOM 518 C LEU A 31 -6.315 0.904 5.286 1.00 0.00 C ATOM 519 O LEU A 31 -6.630 0.943 6.474 1.00 0.00 O ATOM 520 CB LEU A 31 -4.956 -1.041 4.469 1.00 0.00 C ATOM 521 CG LEU A 31 -4.878 -2.426 3.813 1.00 0.00 C ATOM 522 CD1 LEU A 31 -3.432 -2.896 3.713 1.00 0.00 C ATOM 523 CD2 LEU A 31 -5.715 -3.432 4.592 1.00 0.00 C ATOM 0 H LEU A 31 -6.169 -0.387 2.421 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.029 -1.098 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.287 -0.366 3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.582 -1.119 5.490 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.281 -2.349 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.401 -3.880 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.861 -2.189 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.999 -2.955 4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.649 -4.409 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.342 -3.502 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.755 -3.106 4.608 1.00 0.00 H new ATOM 535 N ALA A 32 -5.937 1.982 4.609 1.00 0.00 N ATOM 536 CA ALA A 32 -5.905 3.302 5.233 1.00 0.00 C ATOM 537 C ALA A 32 -7.320 3.824 5.457 1.00 0.00 C ATOM 538 O ALA A 32 -7.624 4.413 6.500 1.00 0.00 O ATOM 539 CB ALA A 32 -5.106 4.273 4.380 1.00 0.00 C ATOM 0 H ALA A 32 -5.649 1.970 3.631 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.416 3.213 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.092 5.252 4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.085 3.907 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.567 4.357 3.396 1.00 0.00 H new ATOM 545 N ARG A 33 -8.188 3.588 4.479 1.00 0.00 N ATOM 546 CA ARG A 33 -9.593 3.964 4.593 1.00 0.00 C ATOM 547 C ARG A 33 -10.242 3.186 5.729 1.00 0.00 C ATOM 548 O ARG A 33 -11.133 3.682 6.412 1.00 0.00 O ATOM 549 CB ARG A 33 -10.327 3.703 3.276 1.00 0.00 C ATOM 550 CG ARG A 33 -9.719 4.439 2.095 1.00 0.00 C ATOM 551 CD ARG A 33 -10.342 4.014 0.777 1.00 0.00 C ATOM 552 NE ARG A 33 -9.533 4.430 -0.370 1.00 0.00 N ATOM 553 CZ ARG A 33 -9.965 4.404 -1.631 1.00 0.00 C ATOM 554 NH1 ARG A 33 -11.222 4.061 -1.897 1.00 0.00 N ATOM 555 NH2 ARG A 33 -9.150 4.739 -2.625 1.00 0.00 N ATOM 0 H ARG A 33 -7.943 3.137 3.597 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.658 5.030 4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.321 2.633 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.370 4.001 3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.852 5.512 2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.646 4.252 2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.460 2.930 0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.340 4.444 0.692 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.584 4.759 -0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.856 3.818 -1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.552 4.041 -2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.189 5.018 -2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.485 4.718 -3.588 1.00 0.00 H new ATOM 569 N GLN A 34 -9.765 1.964 5.935 1.00 0.00 N ATOM 570 CA GLN A 34 -10.204 1.140 7.051 1.00 0.00 C ATOM 571 C GLN A 34 -9.777 1.770 8.369 1.00 0.00 C ATOM 572 O GLN A 34 -10.503 1.722 9.359 1.00 0.00 O ATOM 573 CB GLN A 34 -9.612 -0.262 6.928 1.00 0.00 C ATOM 574 CG GLN A 34 -10.087 -1.231 7.996 1.00 0.00 C ATOM 575 CD GLN A 34 -9.404 -2.581 7.904 1.00 0.00 C ATOM 576 OE1 GLN A 34 -9.239 -3.274 8.906 1.00 0.00 O ATOM 577 NE2 GLN A 34 -8.989 -2.960 6.704 1.00 0.00 N ATOM 0 H GLN A 34 -9.068 1.520 5.337 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.292 1.070 7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.864 -0.666 5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.525 -0.191 6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.902 -0.801 8.980 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.165 -1.366 7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.145 -2.357 5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.514 -3.855 6.588 1.00 0.00 H new ATOM 586 N ALA A 35 -8.594 2.372 8.368 1.00 0.00 N ATOM 587 CA ALA A 35 -8.059 3.031 9.554 1.00 0.00 C ATOM 588 C ALA A 35 -8.634 4.438 9.706 1.00 0.00 C ATOM 589 O ALA A 35 -8.367 5.120 10.698 1.00 0.00 O ATOM 590 CB ALA A 35 -6.539 3.080 9.495 1.00 0.00 C ATOM 0 H ALA A 35 -7.983 2.418 7.553 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.355 2.449 10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.156 3.575 10.387 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.144 2.065 9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.227 3.635 8.610 1.00 0.00 H new ATOM 596 N GLU A 36 -9.410 4.861 8.708 1.00 0.00 N ATOM 597 CA GLU A 36 -10.107 6.147 8.731 1.00 0.00 C ATOM 598 C GLU A 36 -9.136 7.311 8.594 1.00 0.00 C ATOM 599 O GLU A 36 -9.252 8.325 9.287 1.00 0.00 O ATOM 600 CB GLU A 36 -10.948 6.296 10.000 1.00 0.00 C ATOM 601 CG GLU A 36 -12.139 5.362 10.030 1.00 0.00 C ATOM 602 CD GLU A 36 -13.146 5.677 8.944 1.00 0.00 C ATOM 603 OE1 GLU A 36 -13.822 6.726 9.036 1.00 0.00 O ATOM 604 OE2 GLU A 36 -13.271 4.881 7.996 1.00 0.00 O ATOM 0 H GLU A 36 -9.573 4.320 7.859 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.777 6.167 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.320 6.105 10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.298 7.325 10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.794 4.334 9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.625 5.429 11.003 1.00 0.00 H new ATOM 611 N GLN A 37 -8.190 7.165 7.683 1.00 0.00 N ATOM 612 CA GLN A 37 -7.251 8.231 7.378 1.00 0.00 C ATOM 613 C GLN A 37 -7.042 8.326 5.874 1.00 0.00 C ATOM 614 O GLN A 37 -7.246 7.350 5.148 1.00 0.00 O ATOM 615 CB GLN A 37 -5.920 8.007 8.099 1.00 0.00 C ATOM 616 CG GLN A 37 -5.217 6.713 7.728 1.00 0.00 C ATOM 617 CD GLN A 37 -3.978 6.470 8.566 1.00 0.00 C ATOM 618 OE1 GLN A 37 -3.324 7.410 9.024 1.00 0.00 O ATOM 619 NE2 GLN A 37 -3.640 5.205 8.773 1.00 0.00 N ATOM 0 H GLN A 37 -8.051 6.314 7.139 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.667 9.174 7.733 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.256 8.843 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.097 8.015 9.174 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.907 5.879 7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.940 6.742 6.674 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.206 4.455 8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.814 4.982 9.328 1.00 0.00 H new ATOM 628 N ASP A 38 -6.648 9.502 5.408 1.00 0.00 N ATOM 629 CA ASP A 38 -6.440 9.731 3.981 1.00 0.00 C ATOM 630 C ASP A 38 -4.990 9.494 3.608 1.00 0.00 C ATOM 631 O ASP A 38 -4.609 9.601 2.445 1.00 0.00 O ATOM 632 CB ASP A 38 -6.835 11.160 3.592 1.00 0.00 C ATOM 633 CG ASP A 38 -8.332 11.379 3.587 1.00 0.00 C ATOM 634 OD1 ASP A 38 -8.903 11.648 4.666 1.00 0.00 O ATOM 635 OD2 ASP A 38 -8.945 11.303 2.503 1.00 0.00 O ATOM 0 H ASP A 38 -6.465 10.315 5.996 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.072 9.028 3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.373 11.861 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.437 11.384 2.602 1.00 0.00 H new ATOM 640 N ILE A 39 -4.181 9.176 4.604 1.00 0.00 N ATOM 641 CA ILE A 39 -2.757 8.979 4.405 1.00 0.00 C ATOM 642 C ILE A 39 -2.394 7.512 4.584 1.00 0.00 C ATOM 643 O ILE A 39 -2.814 6.880 5.552 1.00 0.00 O ATOM 644 CB ILE A 39 -1.939 9.830 5.403 1.00 0.00 C ATOM 645 CG1 ILE A 39 -2.322 11.305 5.272 1.00 0.00 C ATOM 646 CG2 ILE A 39 -0.447 9.642 5.173 1.00 0.00 C ATOM 647 CD1 ILE A 39 -1.684 12.195 6.313 1.00 0.00 C ATOM 0 H ILE A 39 -4.491 9.048 5.567 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.516 9.292 3.389 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.170 9.497 6.415 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.037 11.658 4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.406 11.397 5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.110 10.250 5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.187 8.592 5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.194 9.949 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.003 13.225 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.989 11.869 7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.599 12.134 6.228 1.00 0.00 H new ATOM 659 N VAL A 40 -1.632 6.966 3.647 1.00 0.00 N ATOM 660 CA VAL A 40 -1.162 5.594 3.771 1.00 0.00 C ATOM 661 C VAL A 40 0.257 5.576 4.330 1.00 0.00 C ATOM 662 O VAL A 40 1.106 6.399 3.959 1.00 0.00 O ATOM 663 CB VAL A 40 -1.198 4.830 2.426 1.00 0.00 C ATOM 664 CG1 VAL A 40 -2.599 4.838 1.836 1.00 0.00 C ATOM 665 CG2 VAL A 40 -0.197 5.402 1.442 1.00 0.00 C ATOM 0 H VAL A 40 -1.328 7.447 2.800 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.842 5.086 4.455 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.917 3.796 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.599 4.295 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.289 4.358 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.915 5.867 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.246 4.844 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.431 6.450 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.807 5.324 1.858 1.00 0.00 H new ATOM 675 N THR A 41 0.508 4.656 5.237 1.00 0.00 N ATOM 676 CA THR A 41 1.808 4.538 5.855 1.00 0.00 C ATOM 677 C THR A 41 2.577 3.360 5.260 1.00 0.00 C ATOM 678 O THR A 41 1.977 2.433 4.714 1.00 0.00 O ATOM 679 CB THR A 41 1.657 4.389 7.378 1.00 0.00 C ATOM 680 OG1 THR A 41 0.503 3.591 7.668 1.00 0.00 O ATOM 681 CG2 THR A 41 1.528 5.749 8.045 1.00 0.00 C ATOM 0 H THR A 41 -0.178 3.975 5.563 1.00 0.00 H new ATOM 0 HA THR A 41 2.379 5.445 5.655 1.00 0.00 H new ATOM 0 HB THR A 41 2.548 3.900 7.771 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.766 2.824 8.219 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.422 5.618 9.122 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.419 6.342 7.837 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.650 6.264 7.655 1.00 0.00 H new ATOM 689 N PRO A 42 3.916 3.390 5.346 1.00 0.00 N ATOM 690 CA PRO A 42 4.789 2.410 4.683 1.00 0.00 C ATOM 691 C PRO A 42 4.497 0.952 5.055 1.00 0.00 C ATOM 692 O PRO A 42 4.574 0.064 4.203 1.00 0.00 O ATOM 693 CB PRO A 42 6.198 2.803 5.147 1.00 0.00 C ATOM 694 CG PRO A 42 5.988 3.672 6.341 1.00 0.00 C ATOM 695 CD PRO A 42 4.697 4.387 6.094 1.00 0.00 C ATOM 0 HA PRO A 42 4.644 2.441 3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.789 1.923 5.400 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.737 3.335 4.363 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.939 3.079 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.810 4.377 6.462 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.206 4.671 7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.844 5.301 5.519 1.00 0.00 H new ATOM 703 N GLU A 43 4.152 0.700 6.312 1.00 0.00 N ATOM 704 CA GLU A 43 3.955 -0.672 6.763 1.00 0.00 C ATOM 705 C GLU A 43 2.608 -1.209 6.283 1.00 0.00 C ATOM 706 O GLU A 43 2.441 -2.417 6.127 1.00 0.00 O ATOM 707 CB GLU A 43 4.104 -0.803 8.288 1.00 0.00 C ATOM 708 CG GLU A 43 2.945 -0.257 9.097 1.00 0.00 C ATOM 709 CD GLU A 43 2.765 1.226 8.916 1.00 0.00 C ATOM 710 OE1 GLU A 43 3.400 2.005 9.657 1.00 0.00 O ATOM 711 OE2 GLU A 43 2.002 1.617 8.022 1.00 0.00 O ATOM 0 H GLU A 43 4.005 1.413 7.026 1.00 0.00 H new ATOM 0 HA GLU A 43 4.741 -1.282 6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.235 -1.856 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.015 -0.288 8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.028 -0.769 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.109 -0.474 10.153 1.00 0.00 H new ATOM 718 N LEU A 44 1.654 -0.314 6.026 1.00 0.00 N ATOM 719 CA LEU A 44 0.394 -0.716 5.407 1.00 0.00 C ATOM 720 C LEU A 44 0.640 -1.130 3.966 1.00 0.00 C ATOM 721 O LEU A 44 0.033 -2.074 3.461 1.00 0.00 O ATOM 722 CB LEU A 44 -0.643 0.416 5.449 1.00 0.00 C ATOM 723 CG LEU A 44 -1.687 0.309 6.565 1.00 0.00 C ATOM 724 CD1 LEU A 44 -1.038 0.438 7.935 1.00 0.00 C ATOM 725 CD2 LEU A 44 -2.779 1.354 6.381 1.00 0.00 C ATOM 0 H LEU A 44 1.729 0.682 6.234 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.004 -1.558 5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.117 1.364 5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.162 0.446 4.491 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.146 -0.678 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.802 0.358 8.708 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.304 -0.357 8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.542 1.406 8.013 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.510 1.261 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.337 2.350 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.272 1.200 5.421 1.00 0.00 H new ATOM 737 N VAL A 45 1.553 -0.420 3.317 1.00 0.00 N ATOM 738 CA VAL A 45 1.918 -0.710 1.938 1.00 0.00 C ATOM 739 C VAL A 45 2.494 -2.115 1.811 1.00 0.00 C ATOM 740 O VAL A 45 2.049 -2.905 0.977 1.00 0.00 O ATOM 741 CB VAL A 45 2.942 0.310 1.402 1.00 0.00 C ATOM 742 CG1 VAL A 45 3.356 -0.029 -0.022 1.00 0.00 C ATOM 743 CG2 VAL A 45 2.371 1.716 1.475 1.00 0.00 C ATOM 0 H VAL A 45 2.057 0.366 3.727 1.00 0.00 H new ATOM 0 HA VAL A 45 1.007 -0.640 1.344 1.00 0.00 H new ATOM 0 HB VAL A 45 3.833 0.263 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.079 0.706 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.807 -1.021 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.479 -0.016 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.104 2.427 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.464 1.772 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.135 1.959 2.511 1.00 0.00 H new ATOM 753 N GLU A 46 3.472 -2.435 2.647 1.00 0.00 N ATOM 754 CA GLU A 46 4.097 -3.742 2.576 1.00 0.00 C ATOM 755 C GLU A 46 3.176 -4.806 3.154 1.00 0.00 C ATOM 756 O GLU A 46 3.302 -5.973 2.815 1.00 0.00 O ATOM 757 CB GLU A 46 5.448 -3.766 3.293 1.00 0.00 C ATOM 758 CG GLU A 46 5.357 -3.849 4.805 1.00 0.00 C ATOM 759 CD GLU A 46 6.718 -3.996 5.443 1.00 0.00 C ATOM 760 OE1 GLU A 46 7.600 -3.149 5.174 1.00 0.00 O ATOM 761 OE2 GLU A 46 6.922 -4.964 6.202 1.00 0.00 O ATOM 0 H GLU A 46 3.843 -1.818 3.369 1.00 0.00 H new ATOM 0 HA GLU A 46 4.277 -3.960 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.023 -4.618 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.004 -2.868 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.871 -2.952 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.731 -4.696 5.085 1.00 0.00 H new ATOM 768 N GLN A 47 2.243 -4.405 4.011 1.00 0.00 N ATOM 769 CA GLN A 47 1.292 -5.352 4.580 1.00 0.00 C ATOM 770 C GLN A 47 0.434 -5.950 3.470 1.00 0.00 C ATOM 771 O GLN A 47 0.177 -7.154 3.451 1.00 0.00 O ATOM 772 CB GLN A 47 0.401 -4.676 5.619 1.00 0.00 C ATOM 773 CG GLN A 47 0.245 -5.478 6.905 1.00 0.00 C ATOM 774 CD GLN A 47 -0.114 -6.932 6.660 1.00 0.00 C ATOM 775 OE1 GLN A 47 0.759 -7.795 6.562 1.00 0.00 O ATOM 776 NE2 GLN A 47 -1.398 -7.206 6.542 1.00 0.00 N ATOM 0 H GLN A 47 2.126 -3.441 4.324 1.00 0.00 H new ATOM 0 HA GLN A 47 1.851 -6.145 5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.816 -3.697 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.584 -4.506 5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.175 -5.430 7.471 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.527 -5.018 7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.089 -6.461 6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.701 -8.163 6.363 1.00 0.00 H new ATOM 785 N ALA A 48 0.017 -5.105 2.536 1.00 0.00 N ATOM 786 CA ALA A 48 -0.707 -5.572 1.364 1.00 0.00 C ATOM 787 C ALA A 48 0.200 -6.443 0.503 1.00 0.00 C ATOM 788 O ALA A 48 -0.250 -7.402 -0.124 1.00 0.00 O ATOM 789 CB ALA A 48 -1.242 -4.399 0.560 1.00 0.00 C ATOM 0 H ALA A 48 0.168 -4.097 2.568 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.556 -6.170 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.780 -4.771 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.918 -3.811 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.412 -3.772 0.234 1.00 0.00 H new ATOM 795 N ARG A 49 1.495 -6.128 0.515 1.00 0.00 N ATOM 796 CA ARG A 49 2.478 -6.899 -0.235 1.00 0.00 C ATOM 797 C ARG A 49 2.671 -8.250 0.437 1.00 0.00 C ATOM 798 O ARG A 49 2.992 -9.244 -0.208 1.00 0.00 O ATOM 799 CB ARG A 49 3.811 -6.152 -0.303 1.00 0.00 C ATOM 800 CG ARG A 49 4.868 -6.861 -1.131 1.00 0.00 C ATOM 801 CD ARG A 49 6.254 -6.324 -0.821 1.00 0.00 C ATOM 802 NE ARG A 49 7.314 -7.153 -1.395 1.00 0.00 N ATOM 803 CZ ARG A 49 7.870 -8.195 -0.764 1.00 0.00 C ATOM 804 NH1 ARG A 49 7.451 -8.548 0.445 1.00 0.00 N ATOM 805 NH2 ARG A 49 8.845 -8.883 -1.344 1.00 0.00 N ATOM 0 H ARG A 49 1.885 -5.343 1.037 1.00 0.00 H new ATOM 0 HA ARG A 49 2.117 -7.043 -1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.640 -5.160 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.190 -6.011 0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.835 -7.932 -0.929 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.652 -6.730 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.342 -5.308 -1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.386 -6.267 0.260 1.00 0.00 H new ATOM 0 HE ARG A 49 7.649 -6.924 -2.331 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.702 -8.025 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.878 -9.343 0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.173 -8.619 -2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.267 -9.676 -0.861 1.00 0.00 H new ATOM 819 N LEU A 50 2.460 -8.266 1.745 1.00 0.00 N ATOM 820 CA LEU A 50 2.544 -9.479 2.534 1.00 0.00 C ATOM 821 C LEU A 50 1.374 -10.388 2.190 1.00 0.00 C ATOM 822 O LEU A 50 1.536 -11.597 2.032 1.00 0.00 O ATOM 823 CB LEU A 50 2.516 -9.132 4.031 1.00 0.00 C ATOM 824 CG LEU A 50 3.507 -9.897 4.908 1.00 0.00 C ATOM 825 CD1 LEU A 50 3.257 -11.395 4.823 1.00 0.00 C ATOM 826 CD2 LEU A 50 4.932 -9.561 4.501 1.00 0.00 C ATOM 0 H LEU A 50 2.225 -7.434 2.287 1.00 0.00 H new ATOM 0 HA LEU A 50 3.478 -9.993 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.710 -8.065 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.510 -9.314 4.408 1.00 0.00 H new ATOM 0 HG LEU A 50 3.363 -9.593 5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.974 -11.920 5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.245 -11.615 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.373 -11.725 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.630 -10.111 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.088 -9.839 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.102 -8.491 4.620 1.00 0.00 H new ATOM 838 N GLU A 51 0.194 -9.788 2.057 1.00 0.00 N ATOM 839 CA GLU A 51 -1.006 -10.528 1.698 1.00 0.00 C ATOM 840 C GLU A 51 -0.799 -11.236 0.363 1.00 0.00 C ATOM 841 O GLU A 51 -1.004 -12.443 0.249 1.00 0.00 O ATOM 842 CB GLU A 51 -2.214 -9.594 1.615 1.00 0.00 C ATOM 843 CG GLU A 51 -2.450 -8.785 2.879 1.00 0.00 C ATOM 844 CD GLU A 51 -3.751 -8.016 2.836 1.00 0.00 C ATOM 845 OE1 GLU A 51 -3.823 -6.997 2.122 1.00 0.00 O ATOM 846 OE2 GLU A 51 -4.713 -8.437 3.514 1.00 0.00 O ATOM 0 H GLU A 51 0.046 -8.788 2.194 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.199 -11.271 2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.076 -8.910 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.105 -10.185 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.455 -9.454 3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.624 -8.088 3.021 1.00 0.00 H new ATOM 853 N PHE A 52 -0.348 -10.480 -0.631 1.00 0.00 N ATOM 854 CA PHE A 52 -0.092 -11.038 -1.954 1.00 0.00 C ATOM 855 C PHE A 52 1.148 -11.922 -1.934 1.00 0.00 C ATOM 856 O PHE A 52 1.292 -12.826 -2.754 1.00 0.00 O ATOM 857 CB PHE A 52 0.059 -9.932 -3.001 1.00 0.00 C ATOM 858 CG PHE A 52 -1.219 -9.188 -3.272 1.00 0.00 C ATOM 859 CD1 PHE A 52 -2.274 -9.815 -3.915 1.00 0.00 C ATOM 860 CD2 PHE A 52 -1.367 -7.870 -2.881 1.00 0.00 C ATOM 861 CE1 PHE A 52 -3.451 -9.138 -4.166 1.00 0.00 C ATOM 862 CE2 PHE A 52 -2.542 -7.187 -3.128 1.00 0.00 C ATOM 863 CZ PHE A 52 -3.586 -7.823 -3.771 1.00 0.00 C ATOM 0 H PHE A 52 -0.152 -9.482 -0.547 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.951 -11.650 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.818 -9.225 -2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.420 -10.370 -3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.175 -10.845 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.554 -7.369 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.265 -9.637 -4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.644 -6.157 -2.819 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.506 -7.292 -3.964 1.00 0.00 H new