USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 327 hydrogens (2 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0235 K(o=-0.023,f=-1.3) USER MOD Single : A 10 SER OG : rot 40:sc= 0.835 USER MOD Single : A 16 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.27) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0385 X(o=-0.039,f=-0.065) USER MOD Single : A 28 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.02) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.020 -23.092 4.465 1.00 0.00 N ATOM 2 CA PRO A 1 2.807 -23.042 3.621 1.00 0.00 C ATOM 3 C PRO A 1 1.943 -21.827 3.950 1.00 0.00 C ATOM 4 O PRO A 1 2.336 -20.967 4.738 1.00 0.00 O ATOM 5 CB PRO A 1 2.036 -24.334 3.873 1.00 0.00 C ATOM 6 CG PRO A 1 2.664 -24.911 5.100 1.00 0.00 C ATOM 7 CD PRO A 1 4.087 -24.397 5.146 1.00 0.00 C ATOM 0 H2 PRO A 1 4.001 -22.338 5.152 1.00 0.00 H new ATOM 0 H3 PRO A 1 4.852 -22.952 3.892 1.00 0.00 H new ATOM 0 HA PRO A 1 3.084 -22.948 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 1 0.974 -24.140 4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.118 -25.016 3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.115 -24.611 5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 1 2.647 -26.000 5.067 1.00 0.00 H new ATOM 0 HD2 PRO A 1 4.440 -24.294 6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 1 4.773 -25.076 4.640 1.00 0.00 H new ATOM 15 N ASP A 2 0.764 -21.763 3.339 1.00 0.00 N ATOM 16 CA ASP A 2 -0.156 -20.655 3.565 1.00 0.00 C ATOM 17 C ASP A 2 -1.511 -21.162 4.049 1.00 0.00 C ATOM 18 O ASP A 2 -1.896 -22.297 3.767 1.00 0.00 O ATOM 19 CB ASP A 2 -0.328 -19.839 2.281 1.00 0.00 C ATOM 20 CG ASP A 2 0.092 -18.392 2.454 1.00 0.00 C ATOM 21 OD1 ASP A 2 1.306 -18.112 2.369 1.00 0.00 O ATOM 22 OD2 ASP A 2 -0.794 -17.538 2.673 1.00 0.00 O ATOM 0 H ASP A 2 0.424 -22.466 2.683 1.00 0.00 H new ATOM 0 HA ASP A 2 0.267 -20.015 4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.261 -20.293 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.371 -19.877 1.967 1.00 0.00 H new ATOM 27 N LYS A 3 -2.228 -20.315 4.780 1.00 0.00 N ATOM 28 CA LYS A 3 -3.539 -20.676 5.303 1.00 0.00 C ATOM 29 C LYS A 3 -4.506 -21.008 4.170 1.00 0.00 C ATOM 30 O LYS A 3 -5.407 -21.832 4.331 1.00 0.00 O ATOM 31 CB LYS A 3 -4.103 -19.536 6.153 1.00 0.00 C ATOM 32 CG LYS A 3 -4.977 -20.010 7.302 1.00 0.00 C ATOM 33 CD LYS A 3 -5.812 -18.873 7.870 1.00 0.00 C ATOM 34 CE LYS A 3 -6.179 -19.125 9.323 1.00 0.00 C ATOM 35 NZ LYS A 3 -6.118 -17.877 10.135 1.00 0.00 N ATOM 0 H LYS A 3 -1.922 -19.373 5.023 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.422 -21.562 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.276 -18.949 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.685 -18.871 5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.634 -20.808 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.350 -20.431 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.258 -17.938 7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.720 -18.756 7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.184 -19.544 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.501 -19.867 9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.375 -18.091 11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.153 -17.490 10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.783 -17.178 9.748 1.00 0.00 H new ATOM 49 N ASP A 4 -4.311 -20.361 3.025 1.00 0.00 N ATOM 50 CA ASP A 4 -5.166 -20.586 1.864 1.00 0.00 C ATOM 51 C ASP A 4 -6.610 -20.195 2.167 1.00 0.00 C ATOM 52 O ASP A 4 -7.548 -20.757 1.601 1.00 0.00 O ATOM 53 CB ASP A 4 -5.098 -22.054 1.431 1.00 0.00 C ATOM 54 CG ASP A 4 -4.249 -22.250 0.192 1.00 0.00 C ATOM 55 OD1 ASP A 4 -4.771 -22.049 -0.925 1.00 0.00 O ATOM 56 OD2 ASP A 4 -3.060 -22.604 0.337 1.00 0.00 O ATOM 0 H ASP A 4 -3.569 -19.677 2.876 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.804 -19.959 1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.691 -22.652 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.106 -22.421 1.239 1.00 0.00 H new ATOM 61 N PHE A 5 -6.782 -19.226 3.062 1.00 0.00 N ATOM 62 CA PHE A 5 -8.111 -18.759 3.436 1.00 0.00 C ATOM 63 C PHE A 5 -8.944 -19.894 4.022 1.00 0.00 C ATOM 64 O PHE A 5 -9.620 -20.621 3.296 1.00 0.00 O ATOM 65 CB PHE A 5 -8.824 -18.160 2.223 1.00 0.00 C ATOM 66 CG PHE A 5 -7.969 -17.212 1.433 1.00 0.00 C ATOM 67 CD1 PHE A 5 -7.816 -15.896 1.836 1.00 0.00 C ATOM 68 CD2 PHE A 5 -7.319 -17.639 0.286 1.00 0.00 C ATOM 69 CE1 PHE A 5 -7.031 -15.021 1.111 1.00 0.00 C ATOM 70 CE2 PHE A 5 -6.530 -16.769 -0.444 1.00 0.00 C ATOM 71 CZ PHE A 5 -6.386 -15.458 -0.030 1.00 0.00 C ATOM 0 H PHE A 5 -6.017 -18.750 3.541 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.996 -17.988 4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.155 -18.968 1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.718 -17.636 2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.317 -15.550 2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.430 -18.662 -0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.922 -13.997 1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.027 -17.113 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.770 -14.776 -0.598 1.00 0.00 H new ATOM 81 N ILE A 6 -8.889 -20.040 5.343 1.00 0.00 N ATOM 82 CA ILE A 6 -9.639 -21.086 6.027 1.00 0.00 C ATOM 83 C ILE A 6 -10.483 -20.501 7.158 1.00 0.00 C ATOM 84 O ILE A 6 -10.451 -20.985 8.290 1.00 0.00 O ATOM 85 CB ILE A 6 -8.697 -22.174 6.590 1.00 0.00 C ATOM 86 CG1 ILE A 6 -9.502 -23.391 7.056 1.00 0.00 C ATOM 87 CG2 ILE A 6 -7.851 -21.619 7.727 1.00 0.00 C ATOM 88 CD1 ILE A 6 -10.385 -23.981 5.978 1.00 0.00 C ATOM 0 H ILE A 6 -8.333 -19.447 5.960 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.300 -21.545 5.292 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.025 -22.492 5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.813 -24.158 7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.122 -23.103 7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.195 -22.402 8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.249 -20.788 7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.502 -21.269 8.528 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.925 -24.839 6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.098 -23.229 5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.769 -24.301 5.138 1.00 0.00 H new ATOM 100 N VAL A 7 -11.236 -19.452 6.843 1.00 0.00 N ATOM 101 CA VAL A 7 -12.086 -18.799 7.825 1.00 0.00 C ATOM 102 C VAL A 7 -13.156 -17.943 7.150 1.00 0.00 C ATOM 103 O VAL A 7 -13.149 -16.717 7.261 1.00 0.00 O ATOM 104 CB VAL A 7 -11.254 -17.924 8.785 1.00 0.00 C ATOM 105 CG1 VAL A 7 -10.552 -16.805 8.027 1.00 0.00 C ATOM 106 CG2 VAL A 7 -12.131 -17.364 9.896 1.00 0.00 C ATOM 0 H VAL A 7 -11.273 -19.037 5.912 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.577 -19.585 8.399 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.488 -18.551 9.242 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.972 -16.201 8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.887 -17.235 7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.295 -16.177 7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -11.526 -16.750 10.563 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.924 -16.755 9.462 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.572 -18.186 10.460 1.00 0.00 H new ATOM 116 N ASN A 8 -14.077 -18.600 6.451 1.00 0.00 N ATOM 117 CA ASN A 8 -15.156 -17.903 5.759 1.00 0.00 C ATOM 118 C ASN A 8 -14.608 -17.032 4.631 1.00 0.00 C ATOM 119 O ASN A 8 -14.713 -15.804 4.674 1.00 0.00 O ATOM 120 CB ASN A 8 -15.955 -17.046 6.744 1.00 0.00 C ATOM 121 CG ASN A 8 -17.381 -16.816 6.285 1.00 0.00 C ATOM 122 OD1 ASN A 8 -17.745 -17.152 5.158 1.00 0.00 O ATOM 123 ND2 ASN A 8 -18.198 -16.241 7.159 1.00 0.00 N ATOM 0 H ASN A 8 -14.098 -19.615 6.349 1.00 0.00 H new ATOM 0 HA ASN A 8 -15.818 -18.652 5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.964 -17.532 7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.458 -16.084 6.871 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.170 -16.061 6.907 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -17.854 -15.979 8.083 1.00 0.00 H new ATOM 130 N PRO A 9 -14.015 -17.656 3.599 1.00 0.00 N ATOM 131 CA PRO A 9 -13.452 -16.931 2.457 1.00 0.00 C ATOM 132 C PRO A 9 -14.535 -16.377 1.535 1.00 0.00 C ATOM 133 O PRO A 9 -14.706 -16.842 0.409 1.00 0.00 O ATOM 134 CB PRO A 9 -12.626 -17.997 1.737 1.00 0.00 C ATOM 135 CG PRO A 9 -13.300 -19.283 2.072 1.00 0.00 C ATOM 136 CD PRO A 9 -13.847 -19.116 3.465 1.00 0.00 C ATOM 0 HA PRO A 9 -12.872 -16.062 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.610 -17.826 0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.590 -17.992 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.099 -19.501 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.597 -20.115 2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.794 -19.642 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.162 -19.511 4.215 1.00 0.00 H new ATOM 144 N SER A 10 -15.259 -15.377 2.024 1.00 0.00 N ATOM 145 CA SER A 10 -16.322 -14.751 1.251 1.00 0.00 C ATOM 146 C SER A 10 -16.732 -13.426 1.879 1.00 0.00 C ATOM 147 O SER A 10 -17.906 -13.056 1.870 1.00 0.00 O ATOM 148 CB SER A 10 -17.530 -15.683 1.150 1.00 0.00 C ATOM 149 OG SER A 10 -17.448 -16.504 -0.001 1.00 0.00 O ATOM 0 H SER A 10 -15.128 -14.982 2.955 1.00 0.00 H new ATOM 0 HA SER A 10 -15.945 -14.557 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.587 -16.307 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.446 -15.093 1.115 1.00 0.00 H new ATOM 0 HG SER A 10 -16.522 -16.800 -0.126 1.00 0.00 H new ATOM 155 N ASP A 11 -15.751 -12.715 2.420 1.00 0.00 N ATOM 156 CA ASP A 11 -15.994 -11.426 3.054 1.00 0.00 C ATOM 157 C ASP A 11 -14.690 -10.663 3.239 1.00 0.00 C ATOM 158 O ASP A 11 -14.509 -9.944 4.224 1.00 0.00 O ATOM 159 CB ASP A 11 -16.688 -11.615 4.405 1.00 0.00 C ATOM 160 CG ASP A 11 -18.191 -11.768 4.268 1.00 0.00 C ATOM 161 OD1 ASP A 11 -18.857 -10.780 3.894 1.00 0.00 O ATOM 162 OD2 ASP A 11 -18.701 -12.877 4.535 1.00 0.00 O ATOM 0 H ASP A 11 -14.775 -13.011 2.432 1.00 0.00 H new ATOM 0 HA ASP A 11 -16.647 -10.845 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.280 -12.496 4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -16.470 -10.760 5.045 1.00 0.00 H new ATOM 167 N LEU A 12 -13.784 -10.825 2.284 1.00 0.00 N ATOM 168 CA LEU A 12 -12.491 -10.156 2.329 1.00 0.00 C ATOM 169 C LEU A 12 -11.857 -10.110 0.943 1.00 0.00 C ATOM 170 O LEU A 12 -11.119 -11.017 0.556 1.00 0.00 O ATOM 171 CB LEU A 12 -11.559 -10.872 3.308 1.00 0.00 C ATOM 172 CG LEU A 12 -10.602 -9.954 4.071 1.00 0.00 C ATOM 173 CD1 LEU A 12 -9.865 -9.037 3.108 1.00 0.00 C ATOM 174 CD2 LEU A 12 -11.362 -9.142 5.109 1.00 0.00 C ATOM 0 H LEU A 12 -13.922 -11.417 1.465 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.648 -9.133 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.165 -11.421 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.973 -11.608 2.758 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.867 -10.571 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.188 -8.391 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.292 -9.637 2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.585 -8.425 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.668 -8.494 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.118 -8.533 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.846 -9.816 5.816 1.00 0.00 H new ATOM 186 N VAL A 13 -12.148 -9.047 0.199 1.00 0.00 N ATOM 187 CA VAL A 13 -11.606 -8.883 -1.144 1.00 0.00 C ATOM 188 C VAL A 13 -11.418 -7.405 -1.481 1.00 0.00 C ATOM 189 O VAL A 13 -12.082 -6.867 -2.367 1.00 0.00 O ATOM 190 CB VAL A 13 -12.517 -9.538 -2.201 1.00 0.00 C ATOM 191 CG1 VAL A 13 -13.898 -8.898 -2.192 1.00 0.00 C ATOM 192 CG2 VAL A 13 -11.888 -9.451 -3.584 1.00 0.00 C ATOM 0 H VAL A 13 -12.756 -8.287 0.504 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.636 -9.380 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.630 -10.592 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.525 -9.375 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.352 -9.025 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.808 -7.835 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.548 -9.919 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.737 -8.405 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.928 -9.966 -3.580 1.00 0.00 H new ATOM 202 N LEU A 14 -10.505 -6.753 -0.768 1.00 0.00 N ATOM 203 CA LEU A 14 -10.228 -5.339 -0.989 1.00 0.00 C ATOM 204 C LEU A 14 -11.477 -4.496 -0.756 1.00 0.00 C ATOM 205 O LEU A 14 -12.135 -4.067 -1.704 1.00 0.00 O ATOM 206 CB LEU A 14 -9.704 -5.117 -2.410 1.00 0.00 C ATOM 207 CG LEU A 14 -8.330 -5.721 -2.696 1.00 0.00 C ATOM 208 CD1 LEU A 14 -8.455 -7.198 -3.034 1.00 0.00 C ATOM 209 CD2 LEU A 14 -7.644 -4.969 -3.826 1.00 0.00 C ATOM 0 H LEU A 14 -9.944 -7.182 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.465 -5.028 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.422 -5.536 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.659 -4.045 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.718 -5.627 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.466 -7.610 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.905 -7.727 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.084 -7.317 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.667 -5.412 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.253 -5.032 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.520 -3.923 -3.544 1.00 0.00 H new ATOM 221 N ASP A 15 -11.799 -4.261 0.512 1.00 0.00 N ATOM 222 CA ASP A 15 -12.969 -3.470 0.870 1.00 0.00 C ATOM 223 C ASP A 15 -12.854 -2.049 0.327 1.00 0.00 C ATOM 224 O ASP A 15 -13.855 -1.418 -0.006 1.00 0.00 O ATOM 225 CB ASP A 15 -13.143 -3.435 2.389 1.00 0.00 C ATOM 226 CG ASP A 15 -13.725 -4.723 2.935 1.00 0.00 C ATOM 227 OD1 ASP A 15 -14.409 -5.436 2.169 1.00 0.00 O ATOM 228 OD2 ASP A 15 -13.498 -5.020 4.127 1.00 0.00 O ATOM 0 H ASP A 15 -11.265 -4.608 1.309 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.844 -3.941 0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.177 -3.249 2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.794 -2.603 2.658 1.00 0.00 H new ATOM 233 N ASN A 16 -11.623 -1.552 0.241 1.00 0.00 N ATOM 234 CA ASN A 16 -11.376 -0.207 -0.262 1.00 0.00 C ATOM 235 C ASN A 16 -9.943 -0.069 -0.771 1.00 0.00 C ATOM 236 O ASN A 16 -9.166 0.737 -0.259 1.00 0.00 O ATOM 237 CB ASN A 16 -11.644 0.826 0.834 1.00 0.00 C ATOM 238 CG ASN A 16 -10.934 0.491 2.130 1.00 0.00 C ATOM 239 OD1 ASN A 16 -9.867 1.030 2.425 1.00 0.00 O ATOM 240 ND2 ASN A 16 -11.524 -0.404 2.915 1.00 0.00 N ATOM 0 H ASN A 16 -10.782 -2.061 0.513 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.055 -0.027 -1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.322 1.809 0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -12.717 0.888 1.016 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.093 -0.669 3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.408 -0.826 2.632 1.00 0.00 H new ATOM 247 N LYS A 17 -9.601 -0.863 -1.779 1.00 0.00 N ATOM 248 CA LYS A 17 -8.262 -0.831 -2.357 1.00 0.00 C ATOM 249 C LYS A 17 -7.209 -1.159 -1.306 1.00 0.00 C ATOM 250 O LYS A 17 -6.183 -0.485 -1.206 1.00 0.00 O ATOM 251 CB LYS A 17 -7.982 0.544 -2.970 1.00 0.00 C ATOM 252 CG LYS A 17 -8.613 0.740 -4.338 1.00 0.00 C ATOM 253 CD LYS A 17 -7.696 1.515 -5.271 1.00 0.00 C ATOM 254 CE LYS A 17 -8.464 2.117 -6.435 1.00 0.00 C ATOM 255 NZ LYS A 17 -8.820 3.542 -6.190 1.00 0.00 N ATOM 0 H LYS A 17 -10.232 -1.537 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.212 -1.586 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.352 1.316 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.904 0.683 -3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.842 -0.231 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.558 1.272 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.196 2.308 -4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.918 0.853 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.864 2.044 -7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.373 1.540 -6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.343 3.915 -7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.414 3.610 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.952 4.098 -6.052 1.00 0.00 H new ATOM 269 N ALA A 18 -7.468 -2.200 -0.521 1.00 0.00 N ATOM 270 CA ALA A 18 -6.542 -2.619 0.525 1.00 0.00 C ATOM 271 C ALA A 18 -5.179 -2.976 -0.058 1.00 0.00 C ATOM 272 O ALA A 18 -4.202 -2.252 0.132 1.00 0.00 O ATOM 273 CB ALA A 18 -7.116 -3.797 1.295 1.00 0.00 C ATOM 0 H ALA A 18 -8.312 -2.769 -0.590 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.405 -1.783 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.415 -4.100 2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.062 -3.507 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.284 -4.631 0.613 1.00 0.00 H new ATOM 279 N ALA A 19 -5.121 -4.099 -0.769 1.00 0.00 N ATOM 280 CA ALA A 19 -3.877 -4.552 -1.378 1.00 0.00 C ATOM 281 C ALA A 19 -3.429 -3.608 -2.489 1.00 0.00 C ATOM 282 O ALA A 19 -2.239 -3.500 -2.779 1.00 0.00 O ATOM 283 CB ALA A 19 -4.036 -5.967 -1.916 1.00 0.00 C ATOM 0 H ALA A 19 -5.920 -4.710 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.106 -4.552 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.099 -6.292 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.297 -6.640 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.826 -5.984 -2.667 1.00 0.00 H new ATOM 289 N LEU A 20 -4.389 -2.926 -3.107 1.00 0.00 N ATOM 290 CA LEU A 20 -4.086 -1.990 -4.184 1.00 0.00 C ATOM 291 C LEU A 20 -3.060 -0.956 -3.728 1.00 0.00 C ATOM 292 O LEU A 20 -2.255 -0.473 -4.523 1.00 0.00 O ATOM 293 CB LEU A 20 -5.364 -1.292 -4.658 1.00 0.00 C ATOM 294 CG LEU A 20 -5.779 -1.609 -6.095 1.00 0.00 C ATOM 295 CD1 LEU A 20 -4.789 -1.014 -7.083 1.00 0.00 C ATOM 296 CD2 LEU A 20 -5.896 -3.114 -6.296 1.00 0.00 C ATOM 0 H LEU A 20 -5.381 -3.004 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.663 -2.552 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.180 -1.569 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.228 -0.215 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.755 -1.160 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.103 -1.251 -8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.755 0.068 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.799 -1.432 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.192 -3.322 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.934 -3.584 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.646 -3.515 -5.614 1.00 0.00 H new ATOM 308 N ARG A 21 -3.097 -0.627 -2.442 1.00 0.00 N ATOM 309 CA ARG A 21 -2.176 0.341 -1.876 1.00 0.00 C ATOM 310 C ARG A 21 -0.989 -0.353 -1.226 1.00 0.00 C ATOM 311 O ARG A 21 0.115 0.192 -1.185 1.00 0.00 O ATOM 312 CB ARG A 21 -2.890 1.232 -0.859 1.00 0.00 C ATOM 313 CG ARG A 21 -2.015 2.346 -0.305 1.00 0.00 C ATOM 314 CD ARG A 21 -2.383 3.699 -0.896 1.00 0.00 C ATOM 315 NE ARG A 21 -1.305 4.253 -1.710 1.00 0.00 N ATOM 316 CZ ARG A 21 -0.219 4.835 -1.204 1.00 0.00 C ATOM 317 NH1 ARG A 21 -0.065 4.938 0.110 1.00 0.00 N ATOM 318 NH2 ARG A 21 0.715 5.313 -2.015 1.00 0.00 N ATOM 0 H ARG A 21 -3.759 -1.020 -1.773 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.805 0.966 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.770 1.672 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.244 0.615 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.117 2.383 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.969 2.128 -0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.281 3.596 -1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.622 4.393 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.388 4.191 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.780 4.571 0.738 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.769 5.385 0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.602 5.235 -3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.547 5.759 -1.628 1.00 0.00 H new ATOM 332 N ASP A 22 -1.219 -1.558 -0.726 1.00 0.00 N ATOM 333 CA ASP A 22 -0.163 -2.325 -0.086 1.00 0.00 C ATOM 334 C ASP A 22 0.810 -2.851 -1.124 1.00 0.00 C ATOM 335 O ASP A 22 2.012 -2.943 -0.876 1.00 0.00 O ATOM 336 CB ASP A 22 -0.749 -3.480 0.730 1.00 0.00 C ATOM 337 CG ASP A 22 -0.007 -3.702 2.033 1.00 0.00 C ATOM 338 OD1 ASP A 22 0.200 -2.716 2.774 1.00 0.00 O ATOM 339 OD2 ASP A 22 0.367 -4.860 2.314 1.00 0.00 O ATOM 0 H ASP A 22 -2.126 -2.024 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 22 0.375 -1.665 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.798 -3.275 0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.717 -4.394 0.136 1.00 0.00 H new ATOM 344 N TYR A 23 0.285 -3.167 -2.297 1.00 0.00 N ATOM 345 CA TYR A 23 1.115 -3.654 -3.386 1.00 0.00 C ATOM 346 C TYR A 23 2.128 -2.588 -3.763 1.00 0.00 C ATOM 347 O TYR A 23 3.251 -2.889 -4.168 1.00 0.00 O ATOM 348 CB TYR A 23 0.257 -4.029 -4.597 1.00 0.00 C ATOM 349 CG TYR A 23 1.059 -4.548 -5.770 1.00 0.00 C ATOM 350 CD1 TYR A 23 2.099 -5.447 -5.580 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.773 -4.138 -7.066 1.00 0.00 C ATOM 352 CE1 TYR A 23 2.835 -5.924 -6.649 1.00 0.00 C ATOM 353 CE2 TYR A 23 1.502 -4.611 -8.140 1.00 0.00 C ATOM 354 CZ TYR A 23 2.532 -5.504 -7.926 1.00 0.00 C ATOM 355 OH TYR A 23 3.260 -5.976 -8.994 1.00 0.00 O ATOM 0 H TYR A 23 -0.708 -3.095 -2.519 1.00 0.00 H new ATOM 0 HA TYR A 23 1.641 -4.551 -3.058 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.467 -4.788 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.311 -3.154 -4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.337 -5.780 -4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.032 -3.438 -7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.643 -6.622 -6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.267 -4.284 -9.142 1.00 0.00 H new ATOM 0 HH TYR A 23 2.917 -5.582 -9.823 1.00 0.00 H new ATOM 365 N LEU A 24 1.721 -1.337 -3.601 1.00 0.00 N ATOM 366 CA LEU A 24 2.582 -0.208 -3.892 1.00 0.00 C ATOM 367 C LEU A 24 3.520 0.049 -2.720 1.00 0.00 C ATOM 368 O LEU A 24 4.622 0.573 -2.894 1.00 0.00 O ATOM 369 CB LEU A 24 1.750 1.043 -4.184 1.00 0.00 C ATOM 370 CG LEU A 24 2.530 2.213 -4.783 1.00 0.00 C ATOM 371 CD1 LEU A 24 3.001 1.877 -6.188 1.00 0.00 C ATOM 372 CD2 LEU A 24 1.676 3.472 -4.792 1.00 0.00 C ATOM 0 H LEU A 24 0.792 -1.081 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 24 3.174 -0.443 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.945 0.774 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.282 1.374 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 24 3.407 2.396 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.554 2.722 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.649 1.001 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.138 1.667 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.246 4.296 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.781 3.300 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.388 3.724 -3.771 1.00 0.00 H new ATOM 384 N ARG A 25 3.076 -0.330 -1.523 1.00 0.00 N ATOM 385 CA ARG A 25 3.871 -0.149 -0.320 1.00 0.00 C ATOM 386 C ARG A 25 4.896 -1.269 -0.173 1.00 0.00 C ATOM 387 O ARG A 25 5.933 -1.095 0.467 1.00 0.00 O ATOM 388 CB ARG A 25 2.964 -0.099 0.912 1.00 0.00 C ATOM 389 CG ARG A 25 3.191 1.127 1.783 1.00 0.00 C ATOM 390 CD ARG A 25 2.820 0.855 3.232 1.00 0.00 C ATOM 391 NE ARG A 25 1.390 1.038 3.476 1.00 0.00 N ATOM 392 CZ ARG A 25 0.778 2.220 3.441 1.00 0.00 C ATOM 393 NH1 ARG A 25 1.465 3.323 3.168 1.00 0.00 N ATOM 394 NH2 ARG A 25 -0.524 2.298 3.678 1.00 0.00 N ATOM 0 H ARG A 25 2.167 -0.765 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 25 4.406 0.797 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.923 -0.117 0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.127 -0.995 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.237 1.428 1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.598 1.959 1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.105 -0.164 3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.387 1.521 3.882 1.00 0.00 H new ATOM 0 HE ARG A 25 0.829 0.212 3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.467 3.267 2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.991 4.226 3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.056 1.453 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.994 3.203 3.651 1.00 0.00 H new ATOM 408 N GLN A 26 4.598 -2.418 -0.770 1.00 0.00 N ATOM 409 CA GLN A 26 5.486 -3.565 -0.706 1.00 0.00 C ATOM 410 C GLN A 26 6.246 -3.760 -2.017 1.00 0.00 C ATOM 411 O GLN A 26 7.179 -4.560 -2.086 1.00 0.00 O ATOM 412 CB GLN A 26 4.695 -4.831 -0.372 1.00 0.00 C ATOM 413 CG GLN A 26 3.912 -4.734 0.928 1.00 0.00 C ATOM 414 CD GLN A 26 4.802 -4.470 2.126 1.00 0.00 C ATOM 415 OE1 GLN A 26 4.956 -3.330 2.562 1.00 0.00 O ATOM 416 NE2 GLN A 26 5.395 -5.529 2.666 1.00 0.00 N ATOM 0 H GLN A 26 3.744 -2.576 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 26 6.214 -3.374 0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.004 -5.043 -1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.383 -5.674 -0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.175 -3.936 0.845 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.361 -5.661 1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.239 -6.457 2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.006 -5.414 3.475 1.00 0.00 H new ATOM 425 N ILE A 27 5.850 -3.026 -3.054 1.00 0.00 N ATOM 426 CA ILE A 27 6.504 -3.127 -4.356 1.00 0.00 C ATOM 427 C ILE A 27 8.018 -2.997 -4.219 1.00 0.00 C ATOM 428 O ILE A 27 8.776 -3.762 -4.816 1.00 0.00 O ATOM 429 CB ILE A 27 5.960 -2.059 -5.339 1.00 0.00 C ATOM 430 CG1 ILE A 27 5.819 -2.651 -6.744 1.00 0.00 C ATOM 431 CG2 ILE A 27 6.842 -0.813 -5.369 1.00 0.00 C ATOM 432 CD1 ILE A 27 4.403 -2.613 -7.275 1.00 0.00 C ATOM 0 H ILE A 27 5.081 -2.356 -3.018 1.00 0.00 H new ATOM 0 HA ILE A 27 6.278 -4.113 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 27 4.976 -1.754 -4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.470 -2.105 -7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.166 -3.684 -6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.426 -0.089 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.882 -0.372 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.848 -1.087 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.377 -3.048 -8.274 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.751 -3.184 -6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.059 -1.580 -7.320 1.00 0.00 H new ATOM 444 N ASN A 28 8.444 -2.022 -3.430 1.00 0.00 N ATOM 445 CA ASN A 28 9.860 -1.782 -3.209 1.00 0.00 C ATOM 446 C ASN A 28 10.413 -2.708 -2.133 1.00 0.00 C ATOM 447 O ASN A 28 11.609 -3.001 -2.114 1.00 0.00 O ATOM 448 CB ASN A 28 10.103 -0.322 -2.821 1.00 0.00 C ATOM 449 CG ASN A 28 11.447 0.189 -3.303 1.00 0.00 C ATOM 450 OD1 ASN A 28 12.260 0.669 -2.513 1.00 0.00 O ATOM 451 ND2 ASN A 28 11.687 0.088 -4.605 1.00 0.00 N ATOM 0 H ASN A 28 7.826 -1.383 -2.931 1.00 0.00 H new ATOM 0 HA ASN A 28 10.383 -1.991 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.310 0.299 -3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.047 -0.223 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.574 0.415 -4.987 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.984 -0.317 -5.223 1.00 0.00 H new ATOM 458 N GLU A 29 9.543 -3.178 -1.244 1.00 0.00 N ATOM 459 CA GLU A 29 9.964 -4.079 -0.186 1.00 0.00 C ATOM 460 C GLU A 29 9.815 -5.529 -0.623 1.00 0.00 C ATOM 461 O GLU A 29 9.634 -6.429 0.197 1.00 0.00 O ATOM 462 CB GLU A 29 9.174 -3.820 1.098 1.00 0.00 C ATOM 463 CG GLU A 29 9.981 -3.112 2.176 1.00 0.00 C ATOM 464 CD GLU A 29 10.967 -4.036 2.864 1.00 0.00 C ATOM 465 OE1 GLU A 29 10.668 -5.242 2.983 1.00 0.00 O ATOM 466 OE2 GLU A 29 12.038 -3.552 3.285 1.00 0.00 O ATOM 0 H GLU A 29 8.549 -2.949 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 29 11.017 -3.889 0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.296 -3.220 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.813 -4.771 1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.521 -2.276 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.301 -2.694 2.918 1.00 0.00 H new ATOM 473 N TYR A 30 9.919 -5.737 -1.925 1.00 0.00 N ATOM 474 CA TYR A 30 9.824 -7.056 -2.514 1.00 0.00 C ATOM 475 C TYR A 30 11.025 -7.305 -3.416 1.00 0.00 C ATOM 476 O TYR A 30 11.530 -8.422 -3.508 1.00 0.00 O ATOM 477 CB TYR A 30 8.521 -7.210 -3.303 1.00 0.00 C ATOM 478 CG TYR A 30 7.632 -8.320 -2.789 1.00 0.00 C ATOM 479 CD1 TYR A 30 7.835 -9.636 -3.186 1.00 0.00 C ATOM 480 CD2 TYR A 30 6.592 -8.052 -1.908 1.00 0.00 C ATOM 481 CE1 TYR A 30 7.026 -10.653 -2.718 1.00 0.00 C ATOM 482 CE2 TYR A 30 5.780 -9.064 -1.436 1.00 0.00 C ATOM 483 CZ TYR A 30 6.000 -10.363 -1.844 1.00 0.00 C ATOM 484 OH TYR A 30 5.192 -11.374 -1.375 1.00 0.00 O ATOM 0 H TYR A 30 10.072 -4.991 -2.603 1.00 0.00 H new ATOM 0 HA TYR A 30 9.820 -7.795 -1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.971 -6.269 -3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.760 -7.401 -4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.637 -9.867 -3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.416 -7.036 -1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.196 -11.671 -3.035 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.976 -8.839 -0.750 1.00 0.00 H new ATOM 0 HH TYR A 30 4.519 -11.000 -0.768 1.00 0.00 H new ATOM 494 N PHE A 31 11.481 -6.242 -4.068 1.00 0.00 N ATOM 495 CA PHE A 31 12.628 -6.320 -4.949 1.00 0.00 C ATOM 496 C PHE A 31 13.879 -5.769 -4.266 1.00 0.00 C ATOM 497 O PHE A 31 14.992 -5.940 -4.763 1.00 0.00 O ATOM 498 CB PHE A 31 12.355 -5.551 -6.244 1.00 0.00 C ATOM 499 CG PHE A 31 11.081 -5.959 -6.927 1.00 0.00 C ATOM 500 CD1 PHE A 31 10.901 -7.260 -7.367 1.00 0.00 C ATOM 501 CD2 PHE A 31 10.063 -5.040 -7.127 1.00 0.00 C ATOM 502 CE1 PHE A 31 9.729 -7.638 -7.995 1.00 0.00 C ATOM 503 CE2 PHE A 31 8.889 -5.413 -7.756 1.00 0.00 C ATOM 504 CZ PHE A 31 8.722 -6.714 -8.190 1.00 0.00 C ATOM 0 H PHE A 31 11.067 -5.312 -3.999 1.00 0.00 H new ATOM 0 HA PHE A 31 12.801 -7.369 -5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 31 12.313 -4.485 -6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.189 -5.701 -6.929 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.685 -7.987 -7.218 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.188 -4.022 -6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.601 -8.656 -8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.103 -4.688 -7.908 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.806 -7.007 -8.681 1.00 0.00 H new ATOM 514 N ALA A 32 13.694 -5.106 -3.121 1.00 0.00 N ATOM 515 CA ALA A 32 14.816 -4.539 -2.384 1.00 0.00 C ATOM 516 C ALA A 32 15.808 -5.621 -1.972 1.00 0.00 C ATOM 517 O ALA A 32 17.018 -5.397 -1.963 1.00 0.00 O ATOM 518 CB ALA A 32 14.313 -3.787 -1.161 1.00 0.00 C ATOM 0 H ALA A 32 12.782 -4.952 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 32 15.336 -3.841 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.160 -3.368 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.650 -2.982 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.769 -4.472 -0.511 1.00 0.00 H new ATOM 524 N ILE A 33 15.288 -6.796 -1.626 1.00 0.00 N ATOM 525 CA ILE A 33 16.123 -7.906 -1.208 1.00 0.00 C ATOM 526 C ILE A 33 16.426 -8.848 -2.369 1.00 0.00 C ATOM 527 O ILE A 33 17.570 -8.956 -2.812 1.00 0.00 O ATOM 528 CB ILE A 33 15.465 -8.709 -0.069 1.00 0.00 C ATOM 529 CG1 ILE A 33 14.988 -7.768 1.038 1.00 0.00 C ATOM 530 CG2 ILE A 33 16.437 -9.741 0.484 1.00 0.00 C ATOM 531 CD1 ILE A 33 13.510 -7.446 0.964 1.00 0.00 C ATOM 0 H ILE A 33 14.288 -6.999 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 33 17.056 -7.473 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 33 14.599 -9.236 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 33 15.205 -8.220 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 33 15.557 -6.840 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 33 15.957 -10.299 1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.730 -10.428 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 33 17.322 -9.236 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.243 -6.774 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.290 -6.965 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.932 -8.367 1.048 1.00 0.00 H new ATOM 543 N ILE A 34 15.396 -9.534 -2.855 1.00 0.00 N ATOM 544 CA ILE A 34 15.555 -10.474 -3.961 1.00 0.00 C ATOM 545 C ILE A 34 16.105 -9.787 -5.207 1.00 0.00 C ATOM 546 O ILE A 34 16.669 -10.437 -6.086 1.00 0.00 O ATOM 547 CB ILE A 34 14.221 -11.165 -4.307 1.00 0.00 C ATOM 548 CG1 ILE A 34 14.441 -12.252 -5.360 1.00 0.00 C ATOM 549 CG2 ILE A 34 13.203 -10.146 -4.796 1.00 0.00 C ATOM 550 CD1 ILE A 34 13.258 -13.181 -5.529 1.00 0.00 C ATOM 0 H ILE A 34 14.443 -9.457 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 34 16.270 -11.227 -3.630 1.00 0.00 H new ATOM 0 HB ILE A 34 13.830 -11.633 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 34 14.661 -11.779 -6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.317 -12.839 -5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 34 12.268 -10.652 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 34 13.026 -9.406 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 34 13.585 -9.649 -5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.486 -13.926 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.051 -13.682 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.384 -12.605 -5.834 1.00 0.00 H new ATOM 562 N GLY A 35 15.937 -8.472 -5.278 1.00 0.00 N ATOM 563 CA GLY A 35 16.423 -7.726 -6.423 1.00 0.00 C ATOM 564 C GLY A 35 17.822 -7.186 -6.211 1.00 0.00 C ATOM 565 O GLY A 35 18.805 -7.832 -6.571 1.00 0.00 O ATOM 0 H GLY A 35 15.474 -7.910 -4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.415 -8.370 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.744 -6.898 -6.628 1.00 0.00 H new ATOM 569 N ARG A 36 17.911 -5.997 -5.625 1.00 0.00 N ATOM 570 CA ARG A 36 19.200 -5.364 -5.362 1.00 0.00 C ATOM 571 C ARG A 36 19.939 -5.074 -6.670 1.00 0.00 C ATOM 572 O ARG A 36 19.957 -5.906 -7.577 1.00 0.00 O ATOM 573 CB ARG A 36 20.058 -6.258 -4.462 1.00 0.00 C ATOM 574 CG ARG A 36 20.769 -5.500 -3.353 1.00 0.00 C ATOM 575 CD ARG A 36 21.485 -6.446 -2.399 1.00 0.00 C ATOM 576 NE ARG A 36 22.931 -6.436 -2.604 1.00 0.00 N ATOM 577 CZ ARG A 36 23.809 -6.873 -1.705 1.00 0.00 C ATOM 578 NH1 ARG A 36 23.395 -7.355 -0.541 1.00 0.00 N ATOM 579 NH2 ARG A 36 25.108 -6.828 -1.970 1.00 0.00 N ATOM 0 H ARG A 36 17.105 -5.451 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 36 19.017 -4.419 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 36 19.425 -7.026 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 36 20.800 -6.771 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.489 -4.807 -3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.046 -4.902 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.262 -6.161 -1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 36 21.106 -7.458 -2.539 1.00 0.00 H new ATOM 0 HE ARG A 36 23.288 -6.073 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 36 22.398 -7.392 -0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 36 24.074 -7.688 0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 36 25.434 -6.458 -2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 36 25.781 -7.163 -1.281 1.00 0.00 H new ATOM 593 N PRO A 37 20.561 -3.888 -6.785 1.00 0.00 N ATOM 594 CA PRO A 37 21.300 -3.501 -7.990 1.00 0.00 C ATOM 595 C PRO A 37 22.602 -4.278 -8.146 1.00 0.00 C ATOM 596 O PRO A 37 23.630 -3.908 -7.576 1.00 0.00 O ATOM 597 CB PRO A 37 21.587 -2.015 -7.770 1.00 0.00 C ATOM 598 CG PRO A 37 21.600 -1.850 -6.290 1.00 0.00 C ATOM 599 CD PRO A 37 20.595 -2.831 -5.754 1.00 0.00 C ATOM 0 HA PRO A 37 20.735 -3.709 -8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 37 22.542 -1.726 -8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.822 -1.391 -8.232 1.00 0.00 H new ATOM 0 HG2 PRO A 37 22.592 -2.047 -5.884 1.00 0.00 H new ATOM 0 HG3 PRO A 37 21.338 -0.830 -6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 37 20.897 -3.226 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.616 -2.370 -5.619 1.00 0.00 H new ATOM 607 N ARG A 38 22.553 -5.357 -8.923 1.00 0.00 N ATOM 608 CA ARG A 38 23.730 -6.186 -9.153 1.00 0.00 C ATOM 609 C ARG A 38 24.848 -5.376 -9.803 1.00 0.00 C ATOM 610 O ARG A 38 24.972 -5.341 -11.026 1.00 0.00 O ATOM 611 CB ARG A 38 23.372 -7.382 -10.037 1.00 0.00 C ATOM 612 CG ARG A 38 24.460 -8.442 -10.100 1.00 0.00 C ATOM 613 CD ARG A 38 24.341 -9.288 -11.356 1.00 0.00 C ATOM 614 NE ARG A 38 25.365 -10.330 -11.413 1.00 0.00 N ATOM 615 CZ ARG A 38 25.294 -11.474 -10.736 1.00 0.00 C ATOM 616 NH1 ARG A 38 24.255 -11.727 -9.951 1.00 0.00 N ATOM 617 NH2 ARG A 38 26.268 -12.369 -10.844 1.00 0.00 N ATOM 0 H ARG A 38 21.711 -5.676 -9.403 1.00 0.00 H new ATOM 0 HA ARG A 38 24.082 -6.548 -8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 38 22.455 -7.837 -9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 38 23.164 -7.027 -11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 38 25.439 -7.962 -10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 38 24.396 -9.083 -9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 38 23.353 -9.748 -11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 38 24.426 -8.648 -12.234 1.00 0.00 H new ATOM 0 HE ARG A 38 26.180 -10.171 -12.005 1.00 0.00 H new ATOM 0 HH11 ARG A 38 23.504 -11.043 -9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 38 24.207 -12.606 -9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 38 27.070 -12.180 -11.445 1.00 0.00 H new ATOM 0 HH22 ARG A 38 26.215 -13.246 -10.326 1.00 0.00 H new ATOM 631 N PHE A 39 25.660 -4.728 -8.974 1.00 0.00 N ATOM 632 CA PHE A 39 26.767 -3.918 -9.467 1.00 0.00 C ATOM 633 C PHE A 39 28.106 -4.594 -9.177 1.00 0.00 C ATOM 634 O PHE A 39 28.881 -4.875 -10.089 1.00 0.00 O ATOM 635 CB PHE A 39 26.732 -2.527 -8.829 1.00 0.00 C ATOM 636 CG PHE A 39 26.684 -1.408 -9.830 1.00 0.00 C ATOM 637 CD1 PHE A 39 27.672 -1.279 -10.793 1.00 0.00 C ATOM 638 CD2 PHE A 39 25.650 -0.486 -9.809 1.00 0.00 C ATOM 639 CE1 PHE A 39 27.630 -0.252 -11.716 1.00 0.00 C ATOM 640 CE2 PHE A 39 25.602 0.544 -10.729 1.00 0.00 C ATOM 641 CZ PHE A 39 26.593 0.661 -11.683 1.00 0.00 C ATOM 0 H PHE A 39 25.572 -4.748 -7.958 1.00 0.00 H new ATOM 0 HA PHE A 39 26.659 -3.816 -10.547 1.00 0.00 H new ATOM 0 HB2 PHE A 39 25.862 -2.457 -8.177 1.00 0.00 H new ATOM 0 HB3 PHE A 39 27.613 -2.403 -8.199 1.00 0.00 H new ATOM 0 HD1 PHE A 39 28.485 -1.990 -10.822 1.00 0.00 H new ATOM 0 HD2 PHE A 39 24.872 -0.573 -9.065 1.00 0.00 H new ATOM 0 HE1 PHE A 39 28.406 -0.163 -12.462 1.00 0.00 H new ATOM 0 HE2 PHE A 39 24.791 1.256 -10.702 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.558 1.465 -12.403 1.00 0.00 H new HETATM 651 N NH2 A 40 28.374 -4.852 -7.903 1.00 0.00 N TER 654 NH2 A 40