USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=4 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+ -162:sc= -0.0762 (180deg=-0.393) USER MOD Single : A 8 ASN : amide:sc= -1.04 K(o=-1,f=-0.43) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.13) 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 X(o=0,f=-0.43) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -6.702 -20.025 -27.774 1.00 0.00 N ATOM 2 CA PRO A 1 -7.937 -19.540 -27.122 1.00 0.00 C ATOM 3 C PRO A 1 -8.064 -18.022 -27.217 1.00 0.00 C ATOM 4 O PRO A 1 -7.133 -17.336 -27.637 1.00 0.00 O ATOM 5 CB PRO A 1 -7.877 -19.983 -25.664 1.00 0.00 C ATOM 6 CG PRO A 1 -6.456 -20.406 -25.463 1.00 0.00 C ATOM 7 CD PRO A 1 -5.932 -20.837 -26.816 1.00 0.00 C ATOM 0 H2 PRO A 1 -6.141 -19.236 -28.095 1.00 0.00 H new ATOM 0 H3 PRO A 1 -6.935 -20.580 -28.597 1.00 0.00 H new ATOM 0 HA PRO A 1 -8.812 -19.956 -27.622 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -8.149 -19.171 -24.990 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -8.567 -20.804 -25.469 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -5.861 -19.585 -25.062 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -6.394 -21.225 -24.746 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -4.862 -20.652 -26.906 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -6.086 -21.903 -26.982 1.00 0.00 H new ATOM 15 N ASP A 2 -9.224 -17.505 -26.825 1.00 0.00 N ATOM 16 CA ASP A 2 -9.472 -16.068 -26.866 1.00 0.00 C ATOM 17 C ASP A 2 -9.102 -15.413 -25.538 1.00 0.00 C ATOM 18 O ASP A 2 -9.176 -16.043 -24.483 1.00 0.00 O ATOM 19 CB ASP A 2 -10.941 -15.794 -27.193 1.00 0.00 C ATOM 20 CG ASP A 2 -11.339 -16.319 -28.558 1.00 0.00 C ATOM 21 OD1 ASP A 2 -11.297 -17.551 -28.755 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.692 -15.498 -29.431 1.00 0.00 O ATOM 0 H ASP A 2 -10.006 -18.059 -26.476 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.846 -15.638 -27.648 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.571 -16.254 -26.432 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.125 -14.720 -27.152 1.00 0.00 H new ATOM 27 N LYS A 3 -8.704 -14.148 -25.599 1.00 0.00 N ATOM 28 CA LYS A 3 -8.323 -13.407 -24.403 1.00 0.00 C ATOM 29 C LYS A 3 -7.982 -11.961 -24.743 1.00 0.00 C ATOM 30 O LYS A 3 -7.727 -11.629 -25.902 1.00 0.00 O ATOM 31 CB LYS A 3 -7.128 -14.077 -23.721 1.00 0.00 C ATOM 32 CG LYS A 3 -5.867 -14.079 -24.568 1.00 0.00 C ATOM 33 CD LYS A 3 -4.849 -15.080 -24.048 1.00 0.00 C ATOM 34 CE LYS A 3 -4.325 -14.680 -22.679 1.00 0.00 C ATOM 35 NZ LYS A 3 -3.714 -13.322 -22.694 1.00 0.00 N ATOM 0 H LYS A 3 -8.637 -13.613 -26.465 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.172 -13.410 -23.720 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.923 -13.565 -22.781 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.391 -15.105 -23.474 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.121 -14.320 -25.600 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.428 -13.081 -24.572 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.306 -16.068 -23.990 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.018 -15.154 -24.750 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.141 -14.703 -21.957 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.585 -15.408 -22.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.109 -13.204 -21.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.140 -13.209 -23.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.465 -12.603 -22.683 1.00 0.00 H new ATOM 49 N ASP A 4 -7.981 -11.102 -23.729 1.00 0.00 N ATOM 50 CA ASP A 4 -7.673 -9.690 -23.921 1.00 0.00 C ATOM 51 C ASP A 4 -8.656 -9.047 -24.895 1.00 0.00 C ATOM 52 O ASP A 4 -8.311 -8.103 -25.608 1.00 0.00 O ATOM 53 CB ASP A 4 -6.240 -9.526 -24.436 1.00 0.00 C ATOM 54 CG ASP A 4 -5.267 -9.173 -23.329 1.00 0.00 C ATOM 55 OD1 ASP A 4 -5.060 -10.014 -22.429 1.00 0.00 O ATOM 56 OD2 ASP A 4 -4.710 -8.056 -23.362 1.00 0.00 O ATOM 0 H ASP A 4 -8.190 -11.360 -22.765 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.765 -9.187 -22.958 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.921 -10.451 -24.916 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.217 -8.747 -25.198 1.00 0.00 H new ATOM 61 N PHE A 5 -9.880 -9.563 -24.922 1.00 0.00 N ATOM 62 CA PHE A 5 -10.912 -9.039 -25.807 1.00 0.00 C ATOM 63 C PHE A 5 -12.086 -8.483 -25.006 1.00 0.00 C ATOM 64 O PHE A 5 -13.228 -8.913 -25.170 1.00 0.00 O ATOM 65 CB PHE A 5 -11.398 -10.133 -26.763 1.00 0.00 C ATOM 66 CG PHE A 5 -11.608 -9.652 -28.170 1.00 0.00 C ATOM 67 CD1 PHE A 5 -10.533 -9.500 -29.031 1.00 0.00 C ATOM 68 CD2 PHE A 5 -12.880 -9.352 -28.631 1.00 0.00 C ATOM 69 CE1 PHE A 5 -10.723 -9.057 -30.328 1.00 0.00 C ATOM 70 CE2 PHE A 5 -13.076 -8.909 -29.926 1.00 0.00 C ATOM 71 CZ PHE A 5 -11.997 -8.762 -30.775 1.00 0.00 C ATOM 0 H PHE A 5 -10.181 -10.345 -24.340 1.00 0.00 H new ATOM 0 HA PHE A 5 -10.479 -8.226 -26.389 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -10.672 -10.946 -26.770 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -12.334 -10.545 -26.385 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -9.536 -9.730 -28.686 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -13.728 -9.465 -27.971 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.877 -8.942 -30.990 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -14.072 -8.678 -30.273 1.00 0.00 H new ATOM 0 HZ PHE A 5 -12.148 -8.417 -31.787 1.00 0.00 H new ATOM 81 N ILE A 6 -11.795 -7.520 -24.134 1.00 0.00 N ATOM 82 CA ILE A 6 -12.820 -6.898 -23.302 1.00 0.00 C ATOM 83 C ILE A 6 -13.716 -7.948 -22.648 1.00 0.00 C ATOM 84 O ILE A 6 -14.798 -8.255 -23.152 1.00 0.00 O ATOM 85 CB ILE A 6 -13.683 -5.929 -24.132 1.00 0.00 C ATOM 86 CG1 ILE A 6 -12.817 -4.806 -24.705 1.00 0.00 C ATOM 87 CG2 ILE A 6 -14.815 -5.351 -23.290 1.00 0.00 C ATOM 88 CD1 ILE A 6 -13.511 -3.992 -25.775 1.00 0.00 C ATOM 0 H ILE A 6 -10.855 -7.153 -23.986 1.00 0.00 H new ATOM 0 HA ILE A 6 -12.308 -6.340 -22.518 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.125 -6.487 -24.957 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.514 -4.143 -23.895 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -11.907 -5.237 -25.121 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -15.410 -4.670 -23.899 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -15.448 -6.160 -22.927 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -14.397 -4.809 -22.442 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.837 -3.214 -26.135 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -13.790 -4.643 -26.604 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -14.407 -3.531 -25.358 1.00 0.00 H new ATOM 100 N VAL A 7 -13.260 -8.492 -21.526 1.00 0.00 N ATOM 101 CA VAL A 7 -14.015 -9.503 -20.802 1.00 0.00 C ATOM 102 C VAL A 7 -13.642 -9.511 -19.322 1.00 0.00 C ATOM 103 O VAL A 7 -13.019 -10.453 -18.832 1.00 0.00 O ATOM 104 CB VAL A 7 -13.790 -10.910 -21.390 1.00 0.00 C ATOM 105 CG1 VAL A 7 -14.716 -11.920 -20.731 1.00 0.00 C ATOM 106 CG2 VAL A 7 -13.990 -10.900 -22.898 1.00 0.00 C ATOM 0 H VAL A 7 -12.367 -8.247 -21.098 1.00 0.00 H new ATOM 0 HA VAL A 7 -15.069 -9.245 -20.907 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.761 -11.206 -21.185 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.542 -12.907 -21.160 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.518 -11.950 -19.659 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.752 -11.628 -20.901 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.827 -11.903 -23.293 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.006 -10.580 -23.128 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.281 -10.210 -23.355 1.00 0.00 H new ATOM 116 N ASN A 8 -14.029 -8.454 -18.615 1.00 0.00 N ATOM 117 CA ASN A 8 -13.737 -8.338 -17.191 1.00 0.00 C ATOM 118 C ASN A 8 -14.853 -7.588 -16.468 1.00 0.00 C ATOM 119 O ASN A 8 -15.653 -6.896 -17.097 1.00 0.00 O ATOM 120 CB ASN A 8 -12.400 -7.623 -16.980 1.00 0.00 C ATOM 121 CG ASN A 8 -11.424 -8.453 -16.169 1.00 0.00 C ATOM 122 OD1 ASN A 8 -11.162 -9.612 -16.488 1.00 0.00 O ATOM 123 ND2 ASN A 8 -10.879 -7.860 -15.112 1.00 0.00 N ATOM 0 H ASN A 8 -14.546 -7.666 -19.005 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.671 -9.343 -16.774 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -11.958 -7.391 -17.949 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -12.574 -6.674 -16.473 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.214 -8.368 -14.528 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.125 -6.897 -14.884 1.00 0.00 H new ATOM 130 N PRO A 9 -14.925 -7.719 -15.131 1.00 0.00 N ATOM 131 CA PRO A 9 -15.954 -7.054 -14.321 1.00 0.00 C ATOM 132 C PRO A 9 -15.777 -5.535 -14.282 1.00 0.00 C ATOM 133 O PRO A 9 -15.620 -4.946 -13.212 1.00 0.00 O ATOM 134 CB PRO A 9 -15.761 -7.651 -12.917 1.00 0.00 C ATOM 135 CG PRO A 9 -14.867 -8.832 -13.103 1.00 0.00 C ATOM 136 CD PRO A 9 -14.022 -8.527 -14.303 1.00 0.00 C ATOM 0 HA PRO A 9 -16.951 -7.215 -14.731 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.314 -6.923 -12.240 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -16.716 -7.947 -12.482 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.248 -8.995 -12.221 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.449 -9.741 -13.256 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.119 -7.979 -14.034 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.704 -9.434 -14.816 1.00 0.00 H new ATOM 144 N SER A 10 -15.803 -4.906 -15.454 1.00 0.00 N ATOM 145 CA SER A 10 -15.647 -3.458 -15.556 1.00 0.00 C ATOM 146 C SER A 10 -14.452 -2.975 -14.741 1.00 0.00 C ATOM 147 O SER A 10 -14.480 -1.893 -14.157 1.00 0.00 O ATOM 148 CB SER A 10 -16.919 -2.750 -15.086 1.00 0.00 C ATOM 149 OG SER A 10 -18.035 -3.131 -15.872 1.00 0.00 O ATOM 0 H SER A 10 -15.931 -5.378 -16.349 1.00 0.00 H new ATOM 0 HA SER A 10 -15.469 -3.214 -16.603 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.108 -2.991 -14.040 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.781 -1.670 -15.144 1.00 0.00 H new ATOM 0 HG SER A 10 -18.836 -2.666 -15.550 1.00 0.00 H new ATOM 155 N ASP A 11 -13.405 -3.789 -14.713 1.00 0.00 N ATOM 156 CA ASP A 11 -12.192 -3.455 -13.974 1.00 0.00 C ATOM 157 C ASP A 11 -12.508 -3.142 -12.512 1.00 0.00 C ATOM 158 O ASP A 11 -12.119 -2.097 -11.991 1.00 0.00 O ATOM 159 CB ASP A 11 -11.488 -2.262 -14.624 1.00 0.00 C ATOM 160 CG ASP A 11 -10.598 -2.675 -15.781 1.00 0.00 C ATOM 161 OD1 ASP A 11 -11.104 -2.756 -16.920 1.00 0.00 O ATOM 162 OD2 ASP A 11 -9.395 -2.918 -15.545 1.00 0.00 O ATOM 0 H ASP A 11 -13.370 -4.688 -15.194 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.530 -4.320 -14.003 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.235 -1.552 -14.979 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.888 -1.745 -13.875 1.00 0.00 H new ATOM 167 N LEU A 12 -13.215 -4.057 -11.857 1.00 0.00 N ATOM 168 CA LEU A 12 -13.583 -3.879 -10.456 1.00 0.00 C ATOM 169 C LEU A 12 -12.711 -4.741 -9.550 1.00 0.00 C ATOM 170 O LEU A 12 -13.005 -5.916 -9.323 1.00 0.00 O ATOM 171 CB LEU A 12 -15.059 -4.227 -10.247 1.00 0.00 C ATOM 172 CG LEU A 12 -16.023 -3.043 -10.347 1.00 0.00 C ATOM 173 CD1 LEU A 12 -15.768 -2.053 -9.220 1.00 0.00 C ATOM 174 CD2 LEU A 12 -15.896 -2.362 -11.701 1.00 0.00 C ATOM 0 H LEU A 12 -13.544 -4.928 -12.273 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.423 -2.833 -10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -15.348 -4.975 -10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -15.173 -4.687 -9.265 1.00 0.00 H new ATOM 0 HG LEU A 12 -17.042 -3.418 -10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -16.462 -1.217 -9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -15.914 -2.549 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.745 -1.683 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.590 -1.523 -11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.877 -1.999 -11.831 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -16.131 -3.076 -12.491 1.00 0.00 H new ATOM 186 N VAL A 13 -11.639 -4.152 -9.034 1.00 0.00 N ATOM 187 CA VAL A 13 -10.724 -4.865 -8.152 1.00 0.00 C ATOM 188 C VAL A 13 -9.974 -3.898 -7.239 1.00 0.00 C ATOM 189 O VAL A 13 -8.745 -3.910 -7.177 1.00 0.00 O ATOM 190 CB VAL A 13 -9.711 -5.701 -8.959 1.00 0.00 C ATOM 191 CG1 VAL A 13 -8.880 -4.807 -9.867 1.00 0.00 C ATOM 192 CG2 VAL A 13 -8.818 -6.511 -8.029 1.00 0.00 C ATOM 0 H VAL A 13 -11.382 -3.181 -9.212 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.326 -5.536 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.266 -6.399 -9.586 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.171 -5.416 -10.428 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.537 -4.283 -10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.336 -4.081 -9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.111 -7.093 -8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.271 -5.836 -7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.432 -7.184 -7.430 1.00 0.00 H new ATOM 202 N LEU A 14 -10.725 -3.060 -6.531 1.00 0.00 N ATOM 203 CA LEU A 14 -10.134 -2.087 -5.620 1.00 0.00 C ATOM 204 C LEU A 14 -11.218 -1.296 -4.894 1.00 0.00 C ATOM 205 O LEU A 14 -11.518 -0.158 -5.255 1.00 0.00 O ATOM 206 CB LEU A 14 -9.217 -1.132 -6.386 1.00 0.00 C ATOM 207 CG LEU A 14 -9.828 -0.521 -7.652 1.00 0.00 C ATOM 208 CD1 LEU A 14 -10.151 0.950 -7.433 1.00 0.00 C ATOM 209 CD2 LEU A 14 -8.888 -0.691 -8.836 1.00 0.00 C ATOM 0 H LEU A 14 -11.744 -3.036 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.546 -2.629 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.920 -0.324 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.309 -1.668 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.756 -1.048 -7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.584 1.367 -8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.864 1.048 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.237 1.490 -7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.340 -0.251 -9.725 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.942 -0.192 -8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.708 -1.752 -9.008 1.00 0.00 H new ATOM 221 N ASP A 15 -11.800 -1.907 -3.867 1.00 0.00 N ATOM 222 CA ASP A 15 -12.850 -1.260 -3.087 1.00 0.00 C ATOM 223 C ASP A 15 -12.335 0.019 -2.435 1.00 0.00 C ATOM 224 O ASP A 15 -12.632 1.123 -2.889 1.00 0.00 O ATOM 225 CB ASP A 15 -13.383 -2.215 -2.018 1.00 0.00 C ATOM 226 CG ASP A 15 -14.260 -3.304 -2.603 1.00 0.00 C ATOM 227 OD1 ASP A 15 -13.711 -4.335 -3.047 1.00 0.00 O ATOM 228 OD2 ASP A 15 -15.496 -3.128 -2.616 1.00 0.00 O ATOM 0 H ASP A 15 -11.563 -2.849 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.662 -0.997 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.545 -2.671 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.953 -1.650 -1.281 1.00 0.00 H new ATOM 233 N ASN A 16 -11.561 -0.137 -1.364 1.00 0.00 N ATOM 234 CA ASN A 16 -11.004 1.005 -0.651 1.00 0.00 C ATOM 235 C ASN A 16 -9.482 0.999 -0.719 1.00 0.00 C ATOM 236 O ASN A 16 -8.803 1.358 0.244 1.00 0.00 O ATOM 237 CB ASN A 16 -11.463 0.996 0.810 1.00 0.00 C ATOM 238 CG ASN A 16 -12.754 1.764 1.014 1.00 0.00 C ATOM 239 OD1 ASN A 16 -12.869 2.924 0.617 1.00 0.00 O ATOM 240 ND2 ASN A 16 -13.733 1.119 1.638 1.00 0.00 N ATOM 0 H ASN A 16 -11.306 -1.044 -0.972 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.367 1.913 -1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.600 -0.034 1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.683 1.429 1.436 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.625 1.585 1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.593 0.158 1.950 1.00 0.00 H new ATOM 247 N LYS A 17 -8.952 0.591 -1.867 1.00 0.00 N ATOM 248 CA LYS A 17 -7.508 0.535 -2.072 1.00 0.00 C ATOM 249 C LYS A 17 -6.819 -0.223 -0.941 1.00 0.00 C ATOM 250 O LYS A 17 -5.740 0.161 -0.489 1.00 0.00 O ATOM 251 CB LYS A 17 -6.933 1.949 -2.178 1.00 0.00 C ATOM 252 CG LYS A 17 -7.753 2.876 -3.061 1.00 0.00 C ATOM 253 CD LYS A 17 -7.230 4.301 -3.010 1.00 0.00 C ATOM 254 CE LYS A 17 -7.787 5.139 -4.151 1.00 0.00 C ATOM 255 NZ LYS A 17 -7.650 6.598 -3.887 1.00 0.00 N ATOM 0 H LYS A 17 -9.502 0.293 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.322 0.001 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.864 2.380 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.918 1.891 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.730 2.515 -4.089 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.795 2.858 -2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.501 4.756 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.141 4.292 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.266 4.887 -5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.839 4.894 -4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.041 7.134 -4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.168 6.844 -3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.645 6.837 -3.769 1.00 0.00 H new ATOM 269 N ALA A 18 -7.446 -1.304 -0.491 1.00 0.00 N ATOM 270 CA ALA A 18 -6.888 -2.115 0.582 1.00 0.00 C ATOM 271 C ALA A 18 -5.535 -2.690 0.178 1.00 0.00 C ATOM 272 O ALA A 18 -4.489 -2.200 0.602 1.00 0.00 O ATOM 273 CB ALA A 18 -7.854 -3.230 0.960 1.00 0.00 C ATOM 0 H ALA A 18 -8.339 -1.638 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.738 -1.477 1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.423 -3.828 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.796 -2.797 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.035 -3.865 0.092 1.00 0.00 H new ATOM 279 N ALA A 19 -5.563 -3.730 -0.647 1.00 0.00 N ATOM 280 CA ALA A 19 -4.344 -4.368 -1.111 1.00 0.00 C ATOM 281 C ALA A 19 -3.784 -3.660 -2.339 1.00 0.00 C ATOM 282 O ALA A 19 -2.590 -3.745 -2.626 1.00 0.00 O ATOM 283 CB ALA A 19 -4.594 -5.838 -1.412 1.00 0.00 C ATOM 0 H ALA A 19 -6.421 -4.148 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.603 -4.295 -0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.670 -6.301 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.935 -6.342 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.356 -5.926 -2.186 1.00 0.00 H new ATOM 289 N LEU A 20 -4.652 -2.954 -3.060 1.00 0.00 N ATOM 290 CA LEU A 20 -4.236 -2.229 -4.254 1.00 0.00 C ATOM 291 C LEU A 20 -3.142 -1.222 -3.915 1.00 0.00 C ATOM 292 O LEU A 20 -2.289 -0.912 -4.748 1.00 0.00 O ATOM 293 CB LEU A 20 -5.434 -1.512 -4.884 1.00 0.00 C ATOM 294 CG LEU A 20 -5.497 -1.579 -6.410 1.00 0.00 C ATOM 295 CD1 LEU A 20 -4.232 -1.001 -7.023 1.00 0.00 C ATOM 296 CD2 LEU A 20 -5.710 -3.012 -6.872 1.00 0.00 C ATOM 0 H LEU A 20 -5.644 -2.870 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.838 -2.947 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.350 -1.942 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.412 -0.465 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.344 -0.981 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.296 -1.058 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.124 0.040 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.368 -1.571 -6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.752 -3.041 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.884 -3.633 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.646 -3.391 -6.462 1.00 0.00 H new ATOM 308 N ARG A 21 -3.173 -0.716 -2.686 1.00 0.00 N ATOM 309 CA ARG A 21 -2.187 0.251 -2.236 1.00 0.00 C ATOM 310 C ARG A 21 -1.060 -0.435 -1.477 1.00 0.00 C ATOM 311 O ARG A 21 0.083 0.021 -1.499 1.00 0.00 O ATOM 312 CB ARG A 21 -2.842 1.318 -1.359 1.00 0.00 C ATOM 313 CG ARG A 21 -3.374 2.506 -2.142 1.00 0.00 C ATOM 314 CD ARG A 21 -2.259 3.466 -2.527 1.00 0.00 C ATOM 315 NE ARG A 21 -2.768 4.799 -2.839 1.00 0.00 N ATOM 316 CZ ARG A 21 -3.153 5.680 -1.919 1.00 0.00 C ATOM 317 NH1 ARG A 21 -3.093 5.373 -0.629 1.00 0.00 N ATOM 318 NH2 ARG A 21 -3.600 6.873 -2.289 1.00 0.00 N ATOM 0 H ARG A 21 -3.873 -0.962 -1.986 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.763 0.734 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.661 0.865 -0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.115 1.672 -0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.878 2.153 -3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.118 3.032 -1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.541 3.534 -1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.723 3.071 -3.390 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.832 5.071 -3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.750 4.457 -0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.390 6.053 0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.649 7.115 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.895 7.548 -1.584 1.00 0.00 H new ATOM 332 N ASP A 22 -1.387 -1.534 -0.811 1.00 0.00 N ATOM 333 CA ASP A 22 -0.394 -2.279 -0.054 1.00 0.00 C ATOM 334 C ASP A 22 0.543 -3.012 -0.994 1.00 0.00 C ATOM 335 O ASP A 22 1.733 -3.157 -0.717 1.00 0.00 O ATOM 336 CB ASP A 22 -1.068 -3.261 0.905 1.00 0.00 C ATOM 337 CG ASP A 22 -1.196 -2.702 2.310 1.00 0.00 C ATOM 338 OD1 ASP A 22 -0.161 -2.314 2.890 1.00 0.00 O ATOM 339 OD2 ASP A 22 -2.330 -2.653 2.827 1.00 0.00 O ATOM 0 H ASP A 22 -2.328 -1.927 -0.780 1.00 0.00 H new ATOM 0 HA ASP A 22 0.189 -1.573 0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.058 -3.513 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.493 -4.187 0.936 1.00 0.00 H new ATOM 344 N TYR A 23 0.005 -3.447 -2.122 1.00 0.00 N ATOM 345 CA TYR A 23 0.805 -4.138 -3.120 1.00 0.00 C ATOM 346 C TYR A 23 1.892 -3.205 -3.625 1.00 0.00 C ATOM 347 O TYR A 23 2.988 -3.637 -3.984 1.00 0.00 O ATOM 348 CB TYR A 23 -0.071 -4.615 -4.281 1.00 0.00 C ATOM 349 CG TYR A 23 0.585 -5.674 -5.138 1.00 0.00 C ATOM 350 CD1 TYR A 23 1.153 -6.805 -4.566 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.635 -5.542 -6.520 1.00 0.00 C ATOM 352 CE1 TYR A 23 1.754 -7.775 -5.345 1.00 0.00 C ATOM 353 CE2 TYR A 23 1.234 -6.508 -7.308 1.00 0.00 C ATOM 354 CZ TYR A 23 1.792 -7.621 -6.716 1.00 0.00 C ATOM 355 OH TYR A 23 2.389 -8.584 -7.495 1.00 0.00 O ATOM 0 H TYR A 23 -0.978 -3.335 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 23 1.264 -5.015 -2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.005 -5.010 -3.882 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.327 -3.760 -4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.124 -6.928 -3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.199 -4.671 -6.987 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.191 -8.648 -4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.264 -6.391 -8.381 1.00 0.00 H new ATOM 0 HH TYR A 23 2.330 -8.325 -8.438 1.00 0.00 H new ATOM 365 N LEU A 24 1.580 -1.915 -3.622 1.00 0.00 N ATOM 366 CA LEU A 24 2.524 -0.900 -4.046 1.00 0.00 C ATOM 367 C LEU A 24 3.501 -0.593 -2.919 1.00 0.00 C ATOM 368 O LEU A 24 4.639 -0.192 -3.159 1.00 0.00 O ATOM 369 CB LEU A 24 1.787 0.372 -4.477 1.00 0.00 C ATOM 370 CG LEU A 24 2.065 0.826 -5.911 1.00 0.00 C ATOM 371 CD1 LEU A 24 1.176 2.003 -6.280 1.00 0.00 C ATOM 372 CD2 LEU A 24 3.533 1.193 -6.078 1.00 0.00 C ATOM 0 H LEU A 24 0.674 -1.550 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 24 3.083 -1.278 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.715 0.208 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.059 1.179 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 24 1.837 -0.001 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.388 2.312 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.130 1.708 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.372 2.834 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.713 1.514 -7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.785 2.004 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.153 0.325 -5.855 1.00 0.00 H new ATOM 384 N ARG A 25 3.045 -0.792 -1.684 1.00 0.00 N ATOM 385 CA ARG A 25 3.875 -0.549 -0.517 1.00 0.00 C ATOM 386 C ARG A 25 4.878 -1.680 -0.320 1.00 0.00 C ATOM 387 O ARG A 25 5.963 -1.477 0.223 1.00 0.00 O ATOM 388 CB ARG A 25 3.005 -0.391 0.734 1.00 0.00 C ATOM 389 CG ARG A 25 3.347 0.839 1.562 1.00 0.00 C ATOM 390 CD ARG A 25 2.260 1.900 1.465 1.00 0.00 C ATOM 391 NE ARG A 25 1.536 2.058 2.724 1.00 0.00 N ATOM 392 CZ ARG A 25 1.995 2.751 3.764 1.00 0.00 C ATOM 393 NH1 ARG A 25 3.180 3.346 3.702 1.00 0.00 N ATOM 394 NH2 ARG A 25 1.269 2.848 4.869 1.00 0.00 N ATOM 0 H ARG A 25 2.104 -1.121 -1.471 1.00 0.00 H new ATOM 0 HA ARG A 25 4.428 0.376 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.958 -0.337 0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.113 -1.279 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.482 0.550 2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.295 1.256 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.708 2.853 1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.559 1.630 0.675 1.00 0.00 H new ATOM 0 HE ARG A 25 0.624 1.610 2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.743 3.273 2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.527 3.876 4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.358 2.392 4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.621 3.379 5.666 1.00 0.00 H new ATOM 408 N GLN A 26 4.503 -2.871 -0.768 1.00 0.00 N ATOM 409 CA GLN A 26 5.360 -4.039 -0.647 1.00 0.00 C ATOM 410 C GLN A 26 6.166 -4.267 -1.922 1.00 0.00 C ATOM 411 O GLN A 26 7.183 -4.959 -1.907 1.00 0.00 O ATOM 412 CB GLN A 26 4.528 -5.281 -0.324 1.00 0.00 C ATOM 413 CG GLN A 26 4.339 -5.519 1.164 1.00 0.00 C ATOM 414 CD GLN A 26 3.362 -6.641 1.457 1.00 0.00 C ATOM 415 OE1 GLN A 26 3.212 -7.571 0.664 1.00 0.00 O ATOM 416 NE2 GLN A 26 2.691 -6.558 2.601 1.00 0.00 N ATOM 0 H GLN A 26 3.607 -3.052 -1.220 1.00 0.00 H new ATOM 0 HA GLN A 26 6.058 -3.857 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.550 -5.185 -0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.009 -6.154 -0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.303 -5.755 1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.983 -4.601 1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.848 -5.769 3.228 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.019 -7.283 2.852 1.00 0.00 H new ATOM 425 N ILE A 27 5.711 -3.677 -3.024 1.00 0.00 N ATOM 426 CA ILE A 27 6.399 -3.815 -4.301 1.00 0.00 C ATOM 427 C ILE A 27 7.887 -3.519 -4.145 1.00 0.00 C ATOM 428 O ILE A 27 8.737 -4.233 -4.677 1.00 0.00 O ATOM 429 CB ILE A 27 5.779 -2.885 -5.374 1.00 0.00 C ATOM 430 CG1 ILE A 27 5.717 -3.601 -6.725 1.00 0.00 C ATOM 431 CG2 ILE A 27 6.544 -1.570 -5.499 1.00 0.00 C ATOM 432 CD1 ILE A 27 4.389 -3.440 -7.432 1.00 0.00 C ATOM 0 H ILE A 27 4.870 -3.100 -3.057 1.00 0.00 H new ATOM 0 HA ILE A 27 6.279 -4.846 -4.633 1.00 0.00 H new ATOM 0 HB ILE A 27 4.766 -2.642 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.510 -3.218 -7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.913 -4.663 -6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.076 -0.948 -6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.526 -1.047 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.577 -1.775 -5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.416 -3.973 -8.382 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.593 -3.849 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.200 -2.382 -7.614 1.00 0.00 H new ATOM 444 N ASN A 28 8.186 -2.460 -3.403 1.00 0.00 N ATOM 445 CA ASN A 28 9.561 -2.060 -3.162 1.00 0.00 C ATOM 446 C ASN A 28 10.211 -2.954 -2.112 1.00 0.00 C ATOM 447 O ASN A 28 11.430 -3.122 -2.101 1.00 0.00 O ATOM 448 CB ASN A 28 9.625 -0.597 -2.720 1.00 0.00 C ATOM 449 CG ASN A 28 11.015 -0.010 -2.863 1.00 0.00 C ATOM 450 OD1 ASN A 28 11.417 0.409 -3.949 1.00 0.00 O ATOM 451 ND2 ASN A 28 11.759 0.023 -1.763 1.00 0.00 N ATOM 0 H ASN A 28 7.490 -1.863 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 28 10.112 -2.169 -4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.923 -0.010 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.306 -0.520 -1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.704 0.407 -1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.386 -0.335 -0.884 1.00 0.00 H new ATOM 458 N GLU A 29 9.394 -3.541 -1.239 1.00 0.00 N ATOM 459 CA GLU A 29 9.911 -4.425 -0.209 1.00 0.00 C ATOM 460 C GLU A 29 9.928 -5.868 -0.700 1.00 0.00 C ATOM 461 O GLU A 29 9.843 -6.812 0.085 1.00 0.00 O ATOM 462 CB GLU A 29 9.091 -4.303 1.076 1.00 0.00 C ATOM 463 CG GLU A 29 9.927 -3.965 2.300 1.00 0.00 C ATOM 464 CD GLU A 29 9.674 -2.561 2.811 1.00 0.00 C ATOM 465 OE1 GLU A 29 10.035 -1.597 2.102 1.00 0.00 O ATOM 466 OE2 GLU A 29 9.114 -2.423 3.920 1.00 0.00 O ATOM 0 H GLU A 29 8.381 -3.419 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 29 10.935 -4.125 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.331 -3.533 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.566 -5.242 1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.709 -4.681 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.983 -4.073 2.055 1.00 0.00 H new ATOM 473 N TYR A 30 10.057 -6.012 -2.009 1.00 0.00 N ATOM 474 CA TYR A 30 10.111 -7.312 -2.648 1.00 0.00 C ATOM 475 C TYR A 30 11.329 -7.394 -3.555 1.00 0.00 C ATOM 476 O TYR A 30 11.932 -8.454 -3.712 1.00 0.00 O ATOM 477 CB TYR A 30 8.833 -7.574 -3.448 1.00 0.00 C ATOM 478 CG TYR A 30 8.723 -8.991 -3.965 1.00 0.00 C ATOM 479 CD1 TYR A 30 8.825 -10.075 -3.103 1.00 0.00 C ATOM 480 CD2 TYR A 30 8.517 -9.244 -5.316 1.00 0.00 C ATOM 481 CE1 TYR A 30 8.726 -11.372 -3.571 1.00 0.00 C ATOM 482 CE2 TYR A 30 8.415 -10.536 -5.791 1.00 0.00 C ATOM 483 CZ TYR A 30 8.521 -11.596 -4.915 1.00 0.00 C ATOM 484 OH TYR A 30 8.421 -12.885 -5.386 1.00 0.00 O ATOM 0 H TYR A 30 10.127 -5.228 -2.657 1.00 0.00 H new ATOM 0 HA TYR A 30 10.192 -8.077 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.970 -7.357 -2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.794 -6.884 -4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.984 -9.902 -2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.435 -8.416 -6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.809 -12.204 -2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 30 8.253 -10.716 -6.844 1.00 0.00 H new ATOM 0 HH TYR A 30 8.276 -12.869 -6.355 1.00 0.00 H new ATOM 494 N PHE A 31 11.692 -6.257 -4.138 1.00 0.00 N ATOM 495 CA PHE A 31 12.841 -6.179 -5.017 1.00 0.00 C ATOM 496 C PHE A 31 13.993 -5.433 -4.342 1.00 0.00 C ATOM 497 O PHE A 31 15.113 -5.417 -4.851 1.00 0.00 O ATOM 498 CB PHE A 31 12.464 -5.485 -6.327 1.00 0.00 C ATOM 499 CG PHE A 31 11.671 -6.355 -7.259 1.00 0.00 C ATOM 500 CD1 PHE A 31 12.055 -7.664 -7.503 1.00 0.00 C ATOM 501 CD2 PHE A 31 10.539 -5.864 -7.892 1.00 0.00 C ATOM 502 CE1 PHE A 31 11.327 -8.467 -8.360 1.00 0.00 C ATOM 503 CE2 PHE A 31 9.807 -6.664 -8.751 1.00 0.00 C ATOM 504 CZ PHE A 31 10.203 -7.967 -8.984 1.00 0.00 C ATOM 0 H PHE A 31 11.199 -5.373 -4.013 1.00 0.00 H new ATOM 0 HA PHE A 31 13.169 -7.195 -5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.887 -4.588 -6.101 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.374 -5.160 -6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.934 -8.061 -7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.226 -4.846 -7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.638 -9.485 -8.541 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.927 -6.271 -9.239 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.633 -8.593 -9.654 1.00 0.00 H new ATOM 514 N ALA A 32 13.716 -4.814 -3.193 1.00 0.00 N ATOM 515 CA ALA A 32 14.737 -4.075 -2.466 1.00 0.00 C ATOM 516 C ALA A 32 15.827 -5.010 -1.951 1.00 0.00 C ATOM 517 O ALA A 32 16.984 -4.612 -1.810 1.00 0.00 O ATOM 518 CB ALA A 32 14.113 -3.306 -1.312 1.00 0.00 C ATOM 0 H ALA A 32 12.796 -4.812 -2.752 1.00 0.00 H new ATOM 0 HA ALA A 32 15.196 -3.365 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.889 -2.758 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.375 -2.604 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.627 -4.004 -0.630 1.00 0.00 H new ATOM 524 N ILE A 33 15.450 -6.252 -1.670 1.00 0.00 N ATOM 525 CA ILE A 33 16.387 -7.239 -1.168 1.00 0.00 C ATOM 526 C ILE A 33 16.895 -8.148 -2.283 1.00 0.00 C ATOM 527 O ILE A 33 18.068 -8.094 -2.655 1.00 0.00 O ATOM 528 CB ILE A 33 15.754 -8.105 -0.062 1.00 0.00 C ATOM 529 CG1 ILE A 33 15.074 -7.217 0.983 1.00 0.00 C ATOM 530 CG2 ILE A 33 16.808 -8.986 0.591 1.00 0.00 C ATOM 531 CD1 ILE A 33 14.175 -7.979 1.932 1.00 0.00 C ATOM 0 H ILE A 33 14.497 -6.596 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 33 17.228 -6.684 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 33 14.999 -8.749 -0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 33 15.839 -6.697 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 33 14.486 -6.454 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 33 16.344 -9.591 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 33 17.252 -9.639 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 33 17.584 -8.360 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.727 -7.286 2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.388 -8.477 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 33 14.762 -8.724 2.470 1.00 0.00 H new ATOM 543 N ILE A 34 16.011 -8.992 -2.807 1.00 0.00 N ATOM 544 CA ILE A 34 16.368 -9.916 -3.865 1.00 0.00 C ATOM 545 C ILE A 34 16.636 -9.196 -5.182 1.00 0.00 C ATOM 546 O ILE A 34 17.275 -9.745 -6.080 1.00 0.00 O ATOM 547 CB ILE A 34 15.253 -10.951 -4.074 1.00 0.00 C ATOM 548 CG1 ILE A 34 13.897 -10.257 -4.214 1.00 0.00 C ATOM 549 CG2 ILE A 34 15.228 -11.947 -2.925 1.00 0.00 C ATOM 550 CD1 ILE A 34 12.843 -11.117 -4.876 1.00 0.00 C ATOM 0 H ILE A 34 15.037 -9.051 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 34 17.285 -10.417 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 34 15.457 -11.496 -4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 34 13.545 -9.962 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 34 14.024 -9.342 -4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 34 14.432 -12.673 -3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 34 16.186 -12.465 -2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 34 15.049 -11.418 -1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.908 -10.561 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.173 -11.391 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.687 -12.020 -4.286 1.00 0.00 H new ATOM 562 N GLY A 35 16.147 -7.968 -5.296 1.00 0.00 N ATOM 563 CA GLY A 35 16.348 -7.199 -6.511 1.00 0.00 C ATOM 564 C GLY A 35 17.555 -6.285 -6.429 1.00 0.00 C ATOM 565 O GLY A 35 17.513 -5.146 -6.894 1.00 0.00 O ATOM 0 H GLY A 35 15.615 -7.490 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.470 -7.881 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.458 -6.602 -6.711 1.00 0.00 H new ATOM 569 N ARG A 36 18.634 -6.786 -5.836 1.00 0.00 N ATOM 570 CA ARG A 36 19.859 -6.008 -5.695 1.00 0.00 C ATOM 571 C ARG A 36 21.090 -6.903 -5.846 1.00 0.00 C ATOM 572 O ARG A 36 21.580 -7.465 -4.867 1.00 0.00 O ATOM 573 CB ARG A 36 19.889 -5.307 -4.336 1.00 0.00 C ATOM 574 CG ARG A 36 20.900 -4.175 -4.257 1.00 0.00 C ATOM 575 CD ARG A 36 20.406 -2.937 -4.989 1.00 0.00 C ATOM 576 NE ARG A 36 21.170 -1.745 -4.626 1.00 0.00 N ATOM 577 CZ ARG A 36 20.786 -0.504 -4.913 1.00 0.00 C ATOM 578 NH1 ARG A 36 19.652 -0.286 -5.566 1.00 0.00 N ATOM 579 NH2 ARG A 36 21.539 0.524 -4.545 1.00 0.00 N ATOM 0 H ARG A 36 18.685 -7.727 -5.446 1.00 0.00 H new ATOM 0 HA ARG A 36 19.877 -5.256 -6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.897 -4.912 -4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 36 20.117 -6.041 -3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.092 -3.929 -3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 36 21.847 -4.500 -4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 36 20.477 -3.099 -6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 36 19.353 -2.776 -4.760 1.00 0.00 H new ATOM 0 HE ARG A 36 22.049 -1.872 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 36 19.068 -1.072 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.364 0.668 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.412 0.363 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.245 1.476 -4.765 1.00 0.00 H new ATOM 593 N PRO A 37 21.606 -7.045 -7.080 1.00 0.00 N ATOM 594 CA PRO A 37 22.784 -7.878 -7.349 1.00 0.00 C ATOM 595 C PRO A 37 24.052 -7.308 -6.723 1.00 0.00 C ATOM 596 O PRO A 37 24.917 -6.776 -7.420 1.00 0.00 O ATOM 597 CB PRO A 37 22.889 -7.870 -8.878 1.00 0.00 C ATOM 598 CG PRO A 37 22.189 -6.624 -9.301 1.00 0.00 C ATOM 599 CD PRO A 37 21.086 -6.410 -8.305 1.00 0.00 C ATOM 0 HA PRO A 37 22.681 -8.876 -6.923 1.00 0.00 H new ATOM 0 HB2 PRO A 37 23.929 -7.869 -9.203 1.00 0.00 H new ATOM 0 HB3 PRO A 37 22.420 -8.754 -9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 37 22.874 -5.776 -9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 37 21.789 -6.724 -10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 37 20.882 -5.350 -8.153 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.154 -6.871 -8.632 1.00 0.00 H new ATOM 607 N ARG A 38 24.158 -7.426 -5.404 1.00 0.00 N ATOM 608 CA ARG A 38 25.321 -6.925 -4.683 1.00 0.00 C ATOM 609 C ARG A 38 26.589 -7.651 -5.122 1.00 0.00 C ATOM 610 O ARG A 38 26.635 -8.880 -5.145 1.00 0.00 O ATOM 611 CB ARG A 38 25.121 -7.090 -3.175 1.00 0.00 C ATOM 612 CG ARG A 38 25.752 -5.979 -2.353 1.00 0.00 C ATOM 613 CD ARG A 38 25.197 -5.949 -0.938 1.00 0.00 C ATOM 614 NE ARG A 38 25.707 -4.813 -0.173 1.00 0.00 N ATOM 615 CZ ARG A 38 25.641 -4.723 1.152 1.00 0.00 C ATOM 616 NH1 ARG A 38 25.088 -5.698 1.866 1.00 0.00 N ATOM 617 NH2 ARG A 38 26.128 -3.655 1.769 1.00 0.00 N ATOM 0 H ARG A 38 23.452 -7.865 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 38 25.433 -5.866 -4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 38 24.053 -7.128 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 38 25.543 -8.046 -2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.832 -6.119 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 38 25.571 -5.019 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 38 24.109 -5.901 -0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 38 25.457 -6.876 -0.427 1.00 0.00 H new ATOM 0 HE ARG A 38 26.139 -4.044 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 38 24.711 -6.522 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 38 25.041 -5.622 2.882 1.00 0.00 H new ATOM 0 HH21 ARG A 38 26.553 -2.903 1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 38 26.077 -3.586 2.785 1.00 0.00 H new ATOM 631 N PHE A 39 27.615 -6.882 -5.470 1.00 0.00 N ATOM 632 CA PHE A 39 28.883 -7.454 -5.909 1.00 0.00 C ATOM 633 C PHE A 39 29.843 -7.611 -4.735 1.00 0.00 C ATOM 634 O PHE A 39 29.685 -6.969 -3.697 1.00 0.00 O ATOM 635 CB PHE A 39 29.514 -6.573 -6.991 1.00 0.00 C ATOM 636 CG PHE A 39 29.777 -7.302 -8.279 1.00 0.00 C ATOM 637 CD1 PHE A 39 30.894 -8.110 -8.418 1.00 0.00 C ATOM 638 CD2 PHE A 39 28.905 -7.179 -9.350 1.00 0.00 C ATOM 639 CE1 PHE A 39 31.138 -8.781 -9.601 1.00 0.00 C ATOM 640 CE2 PHE A 39 29.144 -7.847 -10.535 1.00 0.00 C ATOM 641 CZ PHE A 39 30.261 -8.650 -10.661 1.00 0.00 C ATOM 0 H PHE A 39 27.594 -5.862 -5.457 1.00 0.00 H new ATOM 0 HA PHE A 39 28.686 -8.442 -6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.856 -5.727 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 39 30.452 -6.165 -6.615 1.00 0.00 H new ATOM 0 HD1 PHE A 39 31.582 -8.217 -7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 39 28.029 -6.554 -9.257 1.00 0.00 H new ATOM 0 HE1 PHE A 39 32.013 -9.407 -9.697 1.00 0.00 H new ATOM 0 HE2 PHE A 39 28.458 -7.742 -11.363 1.00 0.00 H new ATOM 0 HZ PHE A 39 30.449 -9.174 -11.586 1.00 0.00 H new HETATM 651 N NH2 A 40 30.843 -8.470 -4.899 1.00 0.00 N TER 654 NH2 A 40