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= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0491 X(o=-0.049,f=-0.028) 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) 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 0.353 3.008 -29.718 1.00 0.00 N ATOM 2 CA PRO A 1 -0.271 4.323 -29.454 1.00 0.00 C ATOM 3 C PRO A 1 -1.653 4.172 -28.823 1.00 0.00 C ATOM 4 O PRO A 1 -2.663 4.100 -29.522 1.00 0.00 O ATOM 5 CB PRO A 1 -0.368 5.047 -30.791 1.00 0.00 C ATOM 6 CG PRO A 1 0.513 4.259 -31.707 1.00 0.00 C ATOM 7 CD PRO A 1 0.550 2.845 -31.169 1.00 0.00 C ATOM 0 H2 PRO A 1 -0.239 2.260 -29.358 1.00 0.00 H new ATOM 0 H3 PRO A 1 1.247 2.940 -29.232 1.00 0.00 H new ATOM 0 HA PRO A 1 0.333 4.889 -28.745 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.395 5.074 -31.154 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -0.032 6.081 -30.708 1.00 0.00 H new ATOM 0 HG2 PRO A 1 0.125 4.275 -32.725 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.515 4.686 -31.741 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -0.233 2.230 -31.611 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.500 2.359 -31.390 1.00 0.00 H new ATOM 15 N ASP A 2 -1.689 4.125 -27.494 1.00 0.00 N ATOM 16 CA ASP A 2 -2.944 3.984 -26.766 1.00 0.00 C ATOM 17 C ASP A 2 -3.237 5.232 -25.939 1.00 0.00 C ATOM 18 O ASP A 2 -2.362 5.746 -25.243 1.00 0.00 O ATOM 19 CB ASP A 2 -2.895 2.752 -25.860 1.00 0.00 C ATOM 20 CG ASP A 2 -3.692 1.591 -26.420 1.00 0.00 C ATOM 21 OD1 ASP A 2 -3.147 0.847 -27.262 1.00 0.00 O ATOM 22 OD2 ASP A 2 -4.864 1.425 -26.018 1.00 0.00 O ATOM 0 H ASP A 2 -0.862 4.183 -26.900 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.747 3.859 -27.493 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.858 2.445 -25.724 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.282 3.013 -24.875 1.00 0.00 H new ATOM 27 N LYS A 3 -4.473 5.713 -26.019 1.00 0.00 N ATOM 28 CA LYS A 3 -4.881 6.900 -25.277 1.00 0.00 C ATOM 29 C LYS A 3 -4.751 6.673 -23.773 1.00 0.00 C ATOM 30 O LYS A 3 -4.009 7.379 -23.091 1.00 0.00 O ATOM 31 CB LYS A 3 -6.323 7.273 -25.625 1.00 0.00 C ATOM 32 CG LYS A 3 -6.584 8.771 -25.608 1.00 0.00 C ATOM 33 CD LYS A 3 -7.189 9.216 -24.287 1.00 0.00 C ATOM 34 CE LYS A 3 -8.155 10.375 -24.477 1.00 0.00 C ATOM 35 NZ LYS A 3 -7.988 11.415 -23.426 1.00 0.00 N ATOM 0 H LYS A 3 -5.210 5.299 -26.590 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.222 7.720 -25.561 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.562 6.882 -26.614 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.996 6.787 -24.919 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.650 9.306 -25.780 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.257 9.033 -26.424 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.711 8.378 -23.825 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.394 9.513 -23.603 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.997 10.822 -25.458 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.179 10.001 -24.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.665 12.187 -23.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.164 10.995 -22.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.019 11.791 -23.460 1.00 0.00 H new ATOM 49 N ASP A 4 -5.478 5.684 -23.265 1.00 0.00 N ATOM 50 CA ASP A 4 -5.444 5.364 -21.844 1.00 0.00 C ATOM 51 C ASP A 4 -4.641 4.091 -21.590 1.00 0.00 C ATOM 52 O ASP A 4 -3.979 3.959 -20.561 1.00 0.00 O ATOM 53 CB ASP A 4 -6.866 5.199 -21.302 1.00 0.00 C ATOM 54 CG ASP A 4 -7.655 4.148 -22.059 1.00 0.00 C ATOM 55 OD1 ASP A 4 -8.043 4.415 -23.215 1.00 0.00 O ATOM 56 OD2 ASP A 4 -7.883 3.057 -21.495 1.00 0.00 O ATOM 0 H ASP A 4 -6.098 5.091 -23.817 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.957 6.189 -21.324 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.821 4.926 -20.248 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.388 6.154 -21.362 1.00 0.00 H new ATOM 61 N PHE A 5 -4.706 3.158 -22.535 1.00 0.00 N ATOM 62 CA PHE A 5 -3.984 1.896 -22.412 1.00 0.00 C ATOM 63 C PHE A 5 -4.478 1.106 -21.203 1.00 0.00 C ATOM 64 O PHE A 5 -3.684 0.513 -20.470 1.00 0.00 O ATOM 65 CB PHE A 5 -2.481 2.152 -22.292 1.00 0.00 C ATOM 66 CG PHE A 5 -1.639 1.161 -23.047 1.00 0.00 C ATOM 67 CD1 PHE A 5 -1.927 -0.194 -22.993 1.00 0.00 C ATOM 68 CD2 PHE A 5 -0.562 1.585 -23.808 1.00 0.00 C ATOM 69 CE1 PHE A 5 -1.155 -1.108 -23.685 1.00 0.00 C ATOM 70 CE2 PHE A 5 0.214 0.675 -24.502 1.00 0.00 C ATOM 71 CZ PHE A 5 -0.083 -0.673 -24.440 1.00 0.00 C ATOM 0 H PHE A 5 -5.250 3.252 -23.393 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.172 1.308 -23.310 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.262 3.155 -22.657 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.200 2.127 -21.239 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.764 -0.539 -22.404 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.326 2.638 -23.860 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.390 -2.161 -23.636 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.051 1.017 -25.092 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.522 -1.386 -24.981 1.00 0.00 H new ATOM 81 N ILE A 6 -5.791 1.101 -21.002 1.00 0.00 N ATOM 82 CA ILE A 6 -6.390 0.383 -19.882 1.00 0.00 C ATOM 83 C ILE A 6 -7.535 -0.509 -20.348 1.00 0.00 C ATOM 84 O ILE A 6 -8.635 -0.468 -19.796 1.00 0.00 O ATOM 85 CB ILE A 6 -6.914 1.358 -18.808 1.00 0.00 C ATOM 86 CG1 ILE A 6 -5.839 2.386 -18.451 1.00 0.00 C ATOM 87 CG2 ILE A 6 -7.353 0.593 -17.568 1.00 0.00 C ATOM 88 CD1 ILE A 6 -4.597 1.775 -17.841 1.00 0.00 C ATOM 0 H ILE A 6 -6.461 1.586 -21.599 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.606 -0.238 -19.448 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.777 1.888 -19.211 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.560 2.935 -19.350 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.258 3.110 -17.753 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.720 1.294 -16.819 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.148 -0.104 -17.833 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.506 0.040 -17.163 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.878 2.562 -17.613 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.863 1.250 -16.924 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.154 1.072 -18.546 1.00 0.00 H new ATOM 100 N VAL A 7 -7.271 -1.317 -21.370 1.00 0.00 N ATOM 101 CA VAL A 7 -8.275 -2.217 -21.913 1.00 0.00 C ATOM 102 C VAL A 7 -8.291 -3.545 -21.157 1.00 0.00 C ATOM 103 O VAL A 7 -8.195 -4.615 -21.758 1.00 0.00 O ATOM 104 CB VAL A 7 -8.037 -2.484 -23.413 1.00 0.00 C ATOM 105 CG1 VAL A 7 -6.698 -3.173 -23.632 1.00 0.00 C ATOM 106 CG2 VAL A 7 -9.174 -3.310 -23.997 1.00 0.00 C ATOM 0 H VAL A 7 -6.366 -1.365 -21.838 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.241 -1.727 -21.792 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.012 -1.526 -23.932 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.551 -3.352 -24.697 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.896 -2.537 -23.256 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.687 -4.124 -23.100 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.988 -3.488 -25.056 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.236 -4.264 -23.474 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -10.114 -2.770 -23.879 1.00 0.00 H new ATOM 116 N ASN A 8 -8.412 -3.467 -19.837 1.00 0.00 N ATOM 117 CA ASN A 8 -8.441 -4.661 -18.999 1.00 0.00 C ATOM 118 C ASN A 8 -8.854 -4.310 -17.568 1.00 0.00 C ATOM 119 O ASN A 8 -8.082 -3.701 -16.828 1.00 0.00 O ATOM 120 CB ASN A 8 -7.069 -5.338 -18.996 1.00 0.00 C ATOM 121 CG ASN A 8 -7.151 -6.816 -19.320 1.00 0.00 C ATOM 122 OD1 ASN A 8 -6.477 -7.302 -20.229 1.00 0.00 O ATOM 123 ND2 ASN A 8 -7.982 -7.539 -18.578 1.00 0.00 N ATOM 0 H ASN A 8 -8.492 -2.589 -19.323 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.177 -5.350 -19.412 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.423 -4.845 -19.722 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.606 -5.209 -18.018 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.081 -8.539 -18.751 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.521 -7.094 -17.835 1.00 0.00 H new ATOM 130 N PRO A 9 -10.084 -4.682 -17.160 1.00 0.00 N ATOM 131 CA PRO A 9 -10.593 -4.395 -15.812 1.00 0.00 C ATOM 132 C PRO A 9 -9.833 -5.153 -14.723 1.00 0.00 C ATOM 133 O PRO A 9 -10.412 -5.957 -13.991 1.00 0.00 O ATOM 134 CB PRO A 9 -12.057 -4.862 -15.864 1.00 0.00 C ATOM 135 CG PRO A 9 -12.371 -5.031 -17.311 1.00 0.00 C ATOM 136 CD PRO A 9 -11.076 -5.398 -17.973 1.00 0.00 C ATOM 0 HA PRO A 9 -10.478 -3.341 -15.559 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.190 -5.798 -15.322 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.719 -4.130 -15.402 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.120 -5.809 -17.460 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.778 -4.112 -17.732 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.907 -6.475 -17.963 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.050 -5.081 -19.016 1.00 0.00 H new ATOM 144 N SER A 10 -8.532 -4.891 -14.619 1.00 0.00 N ATOM 145 CA SER A 10 -7.692 -5.545 -13.620 1.00 0.00 C ATOM 146 C SER A 10 -7.917 -7.052 -13.615 1.00 0.00 C ATOM 147 O SER A 10 -7.883 -7.695 -12.566 1.00 0.00 O ATOM 148 CB SER A 10 -7.971 -4.970 -12.231 1.00 0.00 C ATOM 149 OG SER A 10 -7.982 -3.553 -12.257 1.00 0.00 O ATOM 0 H SER A 10 -8.036 -4.229 -15.216 1.00 0.00 H new ATOM 0 HA SER A 10 -6.651 -5.355 -13.881 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.931 -5.337 -11.868 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.211 -5.318 -11.531 1.00 0.00 H new ATOM 0 HG SER A 10 -8.164 -3.211 -11.357 1.00 0.00 H new ATOM 155 N ASP A 11 -8.145 -7.605 -14.799 1.00 0.00 N ATOM 156 CA ASP A 11 -8.378 -9.041 -14.947 1.00 0.00 C ATOM 157 C ASP A 11 -9.440 -9.530 -13.967 1.00 0.00 C ATOM 158 O ASP A 11 -9.342 -10.630 -13.423 1.00 0.00 O ATOM 159 CB ASP A 11 -7.076 -9.815 -14.735 1.00 0.00 C ATOM 160 CG ASP A 11 -6.131 -9.690 -15.914 1.00 0.00 C ATOM 161 OD1 ASP A 11 -6.512 -10.107 -17.029 1.00 0.00 O ATOM 162 OD2 ASP A 11 -5.010 -9.172 -15.723 1.00 0.00 O ATOM 0 H ASP A 11 -8.174 -7.082 -15.674 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.739 -9.219 -15.960 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.581 -9.449 -13.836 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.305 -10.867 -14.567 1.00 0.00 H new ATOM 167 N LEU A 12 -10.457 -8.701 -13.747 1.00 0.00 N ATOM 168 CA LEU A 12 -11.543 -9.042 -12.834 1.00 0.00 C ATOM 169 C LEU A 12 -11.006 -9.425 -11.457 1.00 0.00 C ATOM 170 O LEU A 12 -10.837 -10.606 -11.153 1.00 0.00 O ATOM 171 CB LEU A 12 -12.374 -10.193 -13.405 1.00 0.00 C ATOM 172 CG LEU A 12 -13.322 -9.803 -14.542 1.00 0.00 C ATOM 173 CD1 LEU A 12 -14.445 -8.919 -14.021 1.00 0.00 C ATOM 174 CD2 LEU A 12 -12.560 -9.102 -15.654 1.00 0.00 C ATOM 0 H LEU A 12 -10.551 -7.787 -14.190 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.176 -8.161 -12.723 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.696 -10.967 -13.766 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.960 -10.634 -12.598 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.764 -10.712 -14.950 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -15.109 -8.652 -14.843 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -15.009 -9.458 -13.260 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.023 -8.013 -13.586 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.250 -8.832 -16.454 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.090 -8.201 -15.261 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.793 -9.770 -16.046 1.00 0.00 H new ATOM 186 N VAL A 13 -10.740 -8.421 -10.629 1.00 0.00 N ATOM 187 CA VAL A 13 -10.224 -8.654 -9.285 1.00 0.00 C ATOM 188 C VAL A 13 -10.485 -7.454 -8.379 1.00 0.00 C ATOM 189 O VAL A 13 -9.588 -6.982 -7.679 1.00 0.00 O ATOM 190 CB VAL A 13 -8.711 -8.953 -9.312 1.00 0.00 C ATOM 191 CG1 VAL A 13 -7.932 -7.753 -9.828 1.00 0.00 C ATOM 192 CG2 VAL A 13 -8.223 -9.360 -7.930 1.00 0.00 C ATOM 0 H VAL A 13 -10.873 -7.438 -10.865 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.750 -9.522 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.539 -9.785 -9.995 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.868 -7.987 -9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.260 -7.514 -10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.109 -6.897 -9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.154 -9.567 -7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.411 -8.550 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.754 -10.255 -7.605 1.00 0.00 H new ATOM 202 N LEU A 14 -11.721 -6.963 -8.398 1.00 0.00 N ATOM 203 CA LEU A 14 -12.101 -5.821 -7.584 1.00 0.00 C ATOM 204 C LEU A 14 -12.710 -6.266 -6.256 1.00 0.00 C ATOM 205 O LEU A 14 -13.672 -5.671 -5.773 1.00 0.00 O ATOM 206 CB LEU A 14 -13.087 -4.932 -8.344 1.00 0.00 C ATOM 207 CG LEU A 14 -12.711 -3.451 -8.403 1.00 0.00 C ATOM 208 CD1 LEU A 14 -12.558 -2.883 -7.000 1.00 0.00 C ATOM 209 CD2 LEU A 14 -11.430 -3.257 -9.201 1.00 0.00 C ATOM 0 H LEU A 14 -12.475 -7.342 -8.971 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.199 -5.249 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.181 -5.308 -9.363 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.068 -5.024 -7.879 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.514 -2.912 -8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.290 -1.828 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.499 -2.988 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.775 -3.426 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.178 -2.197 -9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.619 -3.809 -8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.575 -3.626 -10.216 1.00 0.00 H new ATOM 221 N ASP A 15 -12.143 -7.317 -5.670 1.00 0.00 N ATOM 222 CA ASP A 15 -12.630 -7.839 -4.400 1.00 0.00 C ATOM 223 C ASP A 15 -12.435 -6.817 -3.285 1.00 0.00 C ATOM 224 O ASP A 15 -13.375 -6.480 -2.566 1.00 0.00 O ATOM 225 CB ASP A 15 -11.910 -9.140 -4.048 1.00 0.00 C ATOM 226 CG ASP A 15 -12.270 -10.273 -4.989 1.00 0.00 C ATOM 227 OD1 ASP A 15 -13.469 -10.615 -5.074 1.00 0.00 O ATOM 228 OD2 ASP A 15 -11.353 -10.819 -5.639 1.00 0.00 O ATOM 0 H ASP A 15 -11.346 -7.823 -6.056 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.696 -8.041 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.833 -8.975 -4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.161 -9.426 -3.027 1.00 0.00 H new ATOM 233 N ASN A 16 -11.207 -6.327 -3.149 1.00 0.00 N ATOM 234 CA ASN A 16 -10.884 -5.342 -2.123 1.00 0.00 C ATOM 235 C ASN A 16 -9.695 -4.489 -2.553 1.00 0.00 C ATOM 236 O ASN A 16 -8.685 -5.009 -3.026 1.00 0.00 O ATOM 237 CB ASN A 16 -10.578 -6.038 -0.796 1.00 0.00 C ATOM 238 CG ASN A 16 -9.510 -7.106 -0.936 1.00 0.00 C ATOM 239 OD1 ASN A 16 -9.803 -8.251 -1.280 1.00 0.00 O ATOM 240 ND2 ASN A 16 -8.263 -6.735 -0.670 1.00 0.00 N ATOM 0 H ASN A 16 -10.418 -6.596 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.748 -4.691 -1.989 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.253 -5.296 -0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.491 -6.489 -0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.502 -7.410 -0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.066 -5.775 -0.388 1.00 0.00 H new ATOM 247 N LYS A 17 -9.823 -3.176 -2.390 1.00 0.00 N ATOM 248 CA LYS A 17 -8.765 -2.253 -2.763 1.00 0.00 C ATOM 249 C LYS A 17 -7.862 -1.935 -1.575 1.00 0.00 C ATOM 250 O LYS A 17 -7.433 -0.795 -1.399 1.00 0.00 O ATOM 251 CB LYS A 17 -9.360 -0.963 -3.330 1.00 0.00 C ATOM 252 CG LYS A 17 -10.216 -0.196 -2.334 1.00 0.00 C ATOM 253 CD LYS A 17 -11.402 0.468 -3.013 1.00 0.00 C ATOM 254 CE LYS A 17 -11.692 1.836 -2.417 1.00 0.00 C ATOM 255 NZ LYS A 17 -12.427 2.713 -3.371 1.00 0.00 N ATOM 0 H LYS A 17 -10.653 -2.729 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.158 -2.734 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.550 -0.319 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.964 -1.205 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.572 -0.876 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.609 0.561 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.202 0.570 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.282 -0.167 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.279 1.718 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.755 2.314 -2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.606 3.636 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.856 2.847 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.333 2.269 -3.623 1.00 0.00 H new ATOM 269 N ALA A 18 -7.572 -2.949 -0.766 1.00 0.00 N ATOM 270 CA ALA A 18 -6.719 -2.776 0.398 1.00 0.00 C ATOM 271 C ALA A 18 -5.257 -3.010 0.046 1.00 0.00 C ATOM 272 O ALA A 18 -4.379 -2.249 0.451 1.00 0.00 O ATOM 273 CB ALA A 18 -7.155 -3.707 1.517 1.00 0.00 C ATOM 0 H ALA A 18 -7.917 -3.900 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.820 -1.747 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.506 -3.565 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.185 -3.484 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.087 -4.741 1.178 1.00 0.00 H new ATOM 279 N ALA A 19 -5.000 -4.070 -0.713 1.00 0.00 N ATOM 280 CA ALA A 19 -3.647 -4.403 -1.120 1.00 0.00 C ATOM 281 C ALA A 19 -3.181 -3.523 -2.275 1.00 0.00 C ATOM 282 O ALA A 19 -1.989 -3.451 -2.565 1.00 0.00 O ATOM 283 CB ALA A 19 -3.554 -5.873 -1.499 1.00 0.00 C ATOM 0 H ALA A 19 -5.714 -4.712 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.987 -4.216 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.533 -6.107 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.828 -6.488 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.234 -6.079 -2.326 1.00 0.00 H new ATOM 289 N LEU A 20 -4.124 -2.848 -2.929 1.00 0.00 N ATOM 290 CA LEU A 20 -3.789 -1.971 -4.044 1.00 0.00 C ATOM 291 C LEU A 20 -2.792 -0.907 -3.601 1.00 0.00 C ATOM 292 O LEU A 20 -1.855 -0.579 -4.328 1.00 0.00 O ATOM 293 CB LEU A 20 -5.052 -1.309 -4.603 1.00 0.00 C ATOM 294 CG LEU A 20 -5.114 -1.223 -6.128 1.00 0.00 C ATOM 295 CD1 LEU A 20 -3.978 -0.364 -6.661 1.00 0.00 C ATOM 296 CD2 LEU A 20 -5.066 -2.613 -6.743 1.00 0.00 C ATOM 0 H LEU A 20 -5.119 -2.892 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.333 -2.573 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.922 -1.863 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.128 -0.302 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.058 -0.756 -6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.039 -0.314 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.057 0.641 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.023 -0.802 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.111 -2.532 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.138 -3.107 -6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.914 -3.198 -6.387 1.00 0.00 H new ATOM 308 N ARG A 21 -2.995 -0.380 -2.398 1.00 0.00 N ATOM 309 CA ARG A 21 -2.110 0.633 -1.854 1.00 0.00 C ATOM 310 C ARG A 21 -0.908 -0.009 -1.180 1.00 0.00 C ATOM 311 O ARG A 21 0.187 0.553 -1.173 1.00 0.00 O ATOM 312 CB ARG A 21 -2.853 1.532 -0.865 1.00 0.00 C ATOM 313 CG ARG A 21 -3.582 0.765 0.227 1.00 0.00 C ATOM 314 CD ARG A 21 -5.075 1.059 0.224 1.00 0.00 C ATOM 315 NE ARG A 21 -5.641 1.033 -1.125 1.00 0.00 N ATOM 316 CZ ARG A 21 -5.974 2.120 -1.822 1.00 0.00 C ATOM 317 NH1 ARG A 21 -5.778 3.334 -1.317 1.00 0.00 N ATOM 318 NH2 ARG A 21 -6.500 1.994 -3.033 1.00 0.00 N ATOM 0 H ARG A 21 -3.767 -0.641 -1.784 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.757 1.249 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.141 2.216 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.573 2.142 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.422 -0.304 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.162 1.027 1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.589 0.326 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.252 2.037 0.672 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.791 0.123 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.369 3.440 -0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.036 4.159 -1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.649 1.066 -3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.755 2.825 -3.567 1.00 0.00 H new ATOM 332 N ASP A 22 -1.116 -1.195 -0.624 1.00 0.00 N ATOM 333 CA ASP A 22 -0.039 -1.914 0.043 1.00 0.00 C ATOM 334 C ASP A 22 0.950 -2.443 -0.979 1.00 0.00 C ATOM 335 O ASP A 22 2.152 -2.514 -0.722 1.00 0.00 O ATOM 336 CB ASP A 22 -0.593 -3.055 0.895 1.00 0.00 C ATOM 337 CG ASP A 22 -1.489 -2.561 2.015 1.00 0.00 C ATOM 338 OD1 ASP A 22 -2.108 -1.489 1.849 1.00 0.00 O ATOM 339 OD2 ASP A 22 -1.571 -3.245 3.056 1.00 0.00 O ATOM 0 H ASP A 22 -2.015 -1.677 -0.621 1.00 0.00 H new ATOM 0 HA ASP A 22 0.480 -1.220 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.155 -3.739 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.235 -3.622 1.320 1.00 0.00 H new ATOM 344 N TYR A 23 0.443 -2.787 -2.149 1.00 0.00 N ATOM 345 CA TYR A 23 1.293 -3.276 -3.220 1.00 0.00 C ATOM 346 C TYR A 23 2.243 -2.168 -3.651 1.00 0.00 C ATOM 347 O TYR A 23 3.322 -2.427 -4.186 1.00 0.00 O ATOM 348 CB TYR A 23 0.453 -3.749 -4.407 1.00 0.00 C ATOM 349 CG TYR A 23 1.138 -4.798 -5.254 1.00 0.00 C ATOM 350 CD1 TYR A 23 1.532 -6.011 -4.704 1.00 0.00 C ATOM 351 CD2 TYR A 23 1.390 -4.575 -6.601 1.00 0.00 C ATOM 352 CE1 TYR A 23 2.158 -6.974 -5.474 1.00 0.00 C ATOM 353 CE2 TYR A 23 2.017 -5.531 -7.378 1.00 0.00 C ATOM 354 CZ TYR A 23 2.399 -6.727 -6.809 1.00 0.00 C ATOM 355 OH TYR A 23 3.022 -7.683 -7.580 1.00 0.00 O ATOM 0 H TYR A 23 -0.549 -2.737 -2.382 1.00 0.00 H new ATOM 0 HA TYR A 23 1.868 -4.128 -2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.490 -4.152 -4.037 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.209 -2.891 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.346 -6.205 -3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.091 -3.639 -7.049 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.456 -7.913 -5.033 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.206 -5.342 -8.424 1.00 0.00 H new ATOM 0 HH TYR A 23 3.116 -7.353 -8.498 1.00 0.00 H new ATOM 365 N LEU A 24 1.833 -0.929 -3.393 1.00 0.00 N ATOM 366 CA LEU A 24 2.633 0.231 -3.729 1.00 0.00 C ATOM 367 C LEU A 24 3.643 0.522 -2.627 1.00 0.00 C ATOM 368 O LEU A 24 4.736 1.025 -2.889 1.00 0.00 O ATOM 369 CB LEU A 24 1.738 1.451 -3.962 1.00 0.00 C ATOM 370 CG LEU A 24 1.795 2.035 -5.376 1.00 0.00 C ATOM 371 CD1 LEU A 24 1.243 1.039 -6.385 1.00 0.00 C ATOM 372 CD2 LEU A 24 1.025 3.345 -5.441 1.00 0.00 C ATOM 0 H LEU A 24 0.942 -0.708 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 24 3.176 0.016 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.707 1.174 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.018 2.229 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 24 2.837 2.236 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.291 1.470 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.836 0.125 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.207 0.808 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.075 3.747 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.016 3.169 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.463 4.060 -4.745 1.00 0.00 H new ATOM 384 N ARG A 25 3.274 0.197 -1.392 1.00 0.00 N ATOM 385 CA ARG A 25 4.153 0.423 -0.256 1.00 0.00 C ATOM 386 C ARG A 25 5.116 -0.751 -0.067 1.00 0.00 C ATOM 387 O ARG A 25 6.154 -0.614 0.580 1.00 0.00 O ATOM 388 CB ARG A 25 3.339 0.669 1.022 1.00 0.00 C ATOM 389 CG ARG A 25 2.845 -0.599 1.703 1.00 0.00 C ATOM 390 CD ARG A 25 1.807 -0.289 2.769 1.00 0.00 C ATOM 391 NE ARG A 25 0.710 0.524 2.247 1.00 0.00 N ATOM 392 CZ ARG A 25 -0.222 1.090 3.011 1.00 0.00 C ATOM 393 NH1 ARG A 25 -0.192 0.937 4.330 1.00 0.00 N ATOM 394 NH2 ARG A 25 -1.186 1.810 2.457 1.00 0.00 N ATOM 0 H ARG A 25 2.375 -0.222 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 25 4.745 1.315 -0.461 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.952 1.231 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.480 1.294 0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.415 -1.269 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.687 -1.123 2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.408 -1.222 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.284 0.235 3.597 1.00 0.00 H new ATOM 0 HE ARG A 25 0.655 0.666 1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.548 0.384 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.909 1.373 4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.215 1.931 1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.900 2.243 3.043 1.00 0.00 H new ATOM 408 N GLN A 26 4.767 -1.900 -0.641 1.00 0.00 N ATOM 409 CA GLN A 26 5.599 -3.087 -0.541 1.00 0.00 C ATOM 410 C GLN A 26 6.317 -3.372 -1.859 1.00 0.00 C ATOM 411 O GLN A 26 7.191 -4.236 -1.922 1.00 0.00 O ATOM 412 CB GLN A 26 4.755 -4.295 -0.128 1.00 0.00 C ATOM 413 CG GLN A 26 5.138 -4.871 1.225 1.00 0.00 C ATOM 414 CD GLN A 26 3.993 -5.613 1.888 1.00 0.00 C ATOM 415 OE1 GLN A 26 3.878 -6.833 1.772 1.00 0.00 O ATOM 416 NE2 GLN A 26 3.138 -4.876 2.587 1.00 0.00 N ATOM 0 H GLN A 26 3.911 -2.030 -1.180 1.00 0.00 H new ATOM 0 HA GLN A 26 6.354 -2.903 0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.705 -4.003 -0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.853 -5.073 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.982 -5.549 1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.470 -4.064 1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.272 -3.867 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.347 -5.319 3.055 1.00 0.00 H new ATOM 425 N ILE A 27 5.950 -2.638 -2.908 1.00 0.00 N ATOM 426 CA ILE A 27 6.568 -2.817 -4.217 1.00 0.00 C ATOM 427 C ILE A 27 8.089 -2.767 -4.105 1.00 0.00 C ATOM 428 O ILE A 27 8.797 -3.574 -4.708 1.00 0.00 O ATOM 429 CB ILE A 27 6.069 -1.744 -5.219 1.00 0.00 C ATOM 430 CG1 ILE A 27 5.809 -2.378 -6.587 1.00 0.00 C ATOM 431 CG2 ILE A 27 7.054 -0.585 -5.346 1.00 0.00 C ATOM 432 CD1 ILE A 27 7.060 -2.899 -7.260 1.00 0.00 C ATOM 0 H ILE A 27 5.230 -1.916 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 27 6.277 -3.798 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 27 5.135 -1.337 -4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.101 -3.198 -6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.337 -1.641 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.667 0.145 -6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.184 -0.110 -4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.015 -0.961 -5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.800 -3.334 -8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.761 -2.078 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.521 -3.660 -6.631 1.00 0.00 H new ATOM 444 N ASN A 28 8.579 -1.814 -3.322 1.00 0.00 N ATOM 445 CA ASN A 28 10.007 -1.653 -3.118 1.00 0.00 C ATOM 446 C ASN A 28 10.540 -2.705 -2.155 1.00 0.00 C ATOM 447 O ASN A 28 11.709 -3.082 -2.222 1.00 0.00 O ATOM 448 CB ASN A 28 10.320 -0.249 -2.594 1.00 0.00 C ATOM 449 CG ASN A 28 10.687 0.714 -3.705 1.00 0.00 C ATOM 450 OD1 ASN A 28 11.789 0.660 -4.252 1.00 0.00 O ATOM 451 ND2 ASN A 28 9.763 1.605 -4.047 1.00 0.00 N ATOM 0 H ASN A 28 8.003 -1.140 -2.817 1.00 0.00 H new ATOM 0 HA ASN A 28 10.502 -1.786 -4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.455 0.136 -2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.141 -0.306 -1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.954 2.279 -4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.862 1.615 -3.568 1.00 0.00 H new ATOM 458 N GLU A 29 9.675 -3.191 -1.267 1.00 0.00 N ATOM 459 CA GLU A 29 10.074 -4.213 -0.314 1.00 0.00 C ATOM 460 C GLU A 29 9.828 -5.602 -0.883 1.00 0.00 C ATOM 461 O GLU A 29 9.627 -6.570 -0.150 1.00 0.00 O ATOM 462 CB GLU A 29 9.337 -4.038 1.015 1.00 0.00 C ATOM 463 CG GLU A 29 9.943 -2.973 1.913 1.00 0.00 C ATOM 464 CD GLU A 29 9.950 -3.377 3.375 1.00 0.00 C ATOM 465 OE1 GLU A 29 8.938 -3.131 4.063 1.00 0.00 O ATOM 466 OE2 GLU A 29 10.967 -3.940 3.830 1.00 0.00 O ATOM 0 H GLU A 29 8.702 -2.894 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 29 11.142 -4.102 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.297 -3.782 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.333 -4.990 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.964 -2.770 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.383 -2.045 1.799 1.00 0.00 H new ATOM 473 N TYR A 30 9.867 -5.681 -2.204 1.00 0.00 N ATOM 474 CA TYR A 30 9.675 -6.928 -2.918 1.00 0.00 C ATOM 475 C TYR A 30 10.849 -7.169 -3.854 1.00 0.00 C ATOM 476 O TYR A 30 11.256 -8.308 -4.081 1.00 0.00 O ATOM 477 CB TYR A 30 8.363 -6.904 -3.704 1.00 0.00 C ATOM 478 CG TYR A 30 7.651 -8.237 -3.735 1.00 0.00 C ATOM 479 CD1 TYR A 30 8.256 -9.357 -4.289 1.00 0.00 C ATOM 480 CD2 TYR A 30 6.372 -8.375 -3.208 1.00 0.00 C ATOM 481 CE1 TYR A 30 7.607 -10.577 -4.320 1.00 0.00 C ATOM 482 CE2 TYR A 30 5.717 -9.592 -3.233 1.00 0.00 C ATOM 483 CZ TYR A 30 6.337 -10.688 -3.790 1.00 0.00 C ATOM 484 OH TYR A 30 5.688 -11.902 -3.818 1.00 0.00 O ATOM 0 H TYR A 30 10.033 -4.878 -2.811 1.00 0.00 H new ATOM 0 HA TYR A 30 9.622 -7.742 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.700 -6.158 -3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.568 -6.587 -4.727 1.00 0.00 H new ATOM 0 HD1 TYR A 30 9.250 -9.274 -4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.882 -7.517 -2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.091 -11.438 -4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.724 -9.683 -2.818 1.00 0.00 H new ATOM 0 HH TYR A 30 4.804 -11.810 -3.404 1.00 0.00 H new ATOM 494 N PHE A 31 11.398 -6.081 -4.381 1.00 0.00 N ATOM 495 CA PHE A 31 12.534 -6.152 -5.277 1.00 0.00 C ATOM 496 C PHE A 31 13.842 -5.981 -4.506 1.00 0.00 C ATOM 497 O PHE A 31 14.910 -6.354 -4.992 1.00 0.00 O ATOM 498 CB PHE A 31 12.422 -5.085 -6.367 1.00 0.00 C ATOM 499 CG PHE A 31 11.741 -5.568 -7.615 1.00 0.00 C ATOM 500 CD1 PHE A 31 10.395 -5.897 -7.602 1.00 0.00 C ATOM 501 CD2 PHE A 31 12.445 -5.693 -8.801 1.00 0.00 C ATOM 502 CE1 PHE A 31 9.765 -6.342 -8.749 1.00 0.00 C ATOM 503 CE2 PHE A 31 11.821 -6.137 -9.951 1.00 0.00 C ATOM 504 CZ PHE A 31 10.479 -6.462 -9.925 1.00 0.00 C ATOM 0 H PHE A 31 11.067 -5.134 -4.198 1.00 0.00 H new ATOM 0 HA PHE A 31 12.536 -7.135 -5.747 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.873 -4.230 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.421 -4.732 -6.622 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.832 -5.805 -6.685 1.00 0.00 H new ATOM 0 HD2 PHE A 31 13.495 -5.440 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.715 -6.596 -8.726 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.382 -6.230 -10.869 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.989 -6.809 -10.823 1.00 0.00 H new ATOM 514 N ALA A 32 13.751 -5.416 -3.303 1.00 0.00 N ATOM 515 CA ALA A 32 14.928 -5.201 -2.475 1.00 0.00 C ATOM 516 C ALA A 32 15.434 -6.515 -1.893 1.00 0.00 C ATOM 517 O ALA A 32 16.639 -6.720 -1.748 1.00 0.00 O ATOM 518 CB ALA A 32 14.615 -4.213 -1.361 1.00 0.00 C ATOM 0 H ALA A 32 12.876 -5.101 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 32 15.715 -4.785 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.504 -4.061 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.306 -3.262 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.810 -4.607 -0.740 1.00 0.00 H new ATOM 524 N ILE A 33 14.503 -7.404 -1.559 1.00 0.00 N ATOM 525 CA ILE A 33 14.849 -8.698 -0.991 1.00 0.00 C ATOM 526 C ILE A 33 15.522 -9.595 -2.027 1.00 0.00 C ATOM 527 O ILE A 33 16.426 -10.363 -1.702 1.00 0.00 O ATOM 528 CB ILE A 33 13.607 -9.420 -0.435 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.787 -8.473 0.445 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.018 -10.656 0.348 1.00 0.00 C ATOM 531 CD1 ILE A 33 13.583 -7.858 1.578 1.00 0.00 C ATOM 0 H ILE A 33 13.501 -7.249 -1.673 1.00 0.00 H new ATOM 0 HA ILE A 33 15.545 -8.506 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 33 12.985 -9.735 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.378 -7.676 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.940 -9.019 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.129 -11.154 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 33 14.561 -11.338 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.660 -10.363 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.939 -7.199 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.969 -8.648 2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 33 14.415 -7.284 1.169 1.00 0.00 H new ATOM 543 N ILE A 34 15.072 -9.491 -3.273 1.00 0.00 N ATOM 544 CA ILE A 34 15.630 -10.295 -4.355 1.00 0.00 C ATOM 545 C ILE A 34 17.117 -10.012 -4.547 1.00 0.00 C ATOM 546 O ILE A 34 17.848 -10.832 -5.104 1.00 0.00 O ATOM 547 CB ILE A 34 14.894 -10.040 -5.687 1.00 0.00 C ATOM 548 CG1 ILE A 34 13.381 -10.163 -5.493 1.00 0.00 C ATOM 549 CG2 ILE A 34 15.378 -11.007 -6.759 1.00 0.00 C ATOM 550 CD1 ILE A 34 12.951 -11.484 -4.891 1.00 0.00 C ATOM 0 H ILE A 34 14.324 -8.859 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 34 15.497 -11.338 -4.069 1.00 0.00 H new ATOM 0 HB ILE A 34 15.117 -9.025 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 34 13.039 -9.352 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 34 12.888 -10.035 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 34 14.848 -10.812 -7.691 1.00 0.00 H new ATOM 0 HG22 ILE A 34 16.448 -10.871 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 34 15.185 -12.031 -6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.866 -11.499 -4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.262 -12.300 -5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 34 13.415 -11.606 -3.912 1.00 0.00 H new ATOM 562 N GLY A 35 17.559 -8.851 -4.080 1.00 0.00 N ATOM 563 CA GLY A 35 18.959 -8.484 -4.211 1.00 0.00 C ATOM 564 C GLY A 35 19.154 -7.073 -4.734 1.00 0.00 C ATOM 565 O GLY A 35 20.282 -6.587 -4.810 1.00 0.00 O ATOM 0 H GLY A 35 16.975 -8.157 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.446 -8.577 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.452 -9.186 -4.883 1.00 0.00 H new ATOM 569 N ARG A 36 18.058 -6.410 -5.098 1.00 0.00 N ATOM 570 CA ARG A 36 18.124 -5.048 -5.617 1.00 0.00 C ATOM 571 C ARG A 36 18.845 -5.013 -6.964 1.00 0.00 C ATOM 572 O ARG A 36 19.935 -4.454 -7.081 1.00 0.00 O ATOM 573 CB ARG A 36 18.836 -4.132 -4.617 1.00 0.00 C ATOM 574 CG ARG A 36 18.333 -2.698 -4.641 1.00 0.00 C ATOM 575 CD ARG A 36 18.665 -1.968 -3.349 1.00 0.00 C ATOM 576 NE ARG A 36 19.314 -0.683 -3.596 1.00 0.00 N ATOM 577 CZ ARG A 36 20.598 -0.551 -3.923 1.00 0.00 C ATOM 578 NH1 ARG A 36 21.373 -1.620 -4.043 1.00 0.00 N ATOM 579 NH2 ARG A 36 21.106 0.656 -4.132 1.00 0.00 N ATOM 0 H ARG A 36 17.115 -6.795 -5.043 1.00 0.00 H new ATOM 0 HA ARG A 36 17.105 -4.691 -5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.709 -4.536 -3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.905 -4.137 -4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 36 18.779 -2.169 -5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 36 17.254 -2.693 -4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 36 17.750 -1.808 -2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 36 19.317 -2.592 -2.738 1.00 0.00 H new ATOM 0 HE ARG A 36 18.750 0.163 -3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 36 20.986 -2.551 -3.885 1.00 0.00 H new ATOM 0 HH12 ARG A 36 22.356 -1.512 -4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.513 1.481 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.089 0.759 -4.383 1.00 0.00 H new ATOM 593 N PRO A 37 18.239 -5.608 -8.004 1.00 0.00 N ATOM 594 CA PRO A 37 18.827 -5.641 -9.348 1.00 0.00 C ATOM 595 C PRO A 37 19.188 -4.248 -9.852 1.00 0.00 C ATOM 596 O PRO A 37 18.318 -3.484 -10.272 1.00 0.00 O ATOM 597 CB PRO A 37 17.721 -6.253 -10.211 1.00 0.00 C ATOM 598 CG PRO A 37 16.888 -7.041 -9.260 1.00 0.00 C ATOM 599 CD PRO A 37 16.935 -6.298 -7.955 1.00 0.00 C ATOM 0 HA PRO A 37 19.759 -6.205 -9.371 1.00 0.00 H new ATOM 0 HB2 PRO A 37 17.132 -5.481 -10.706 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.136 -6.888 -10.994 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.863 -7.131 -9.621 1.00 0.00 H new ATOM 0 HG3 PRO A 37 17.277 -8.053 -9.147 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.109 -5.592 -7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 37 16.870 -6.976 -7.104 1.00 0.00 H new ATOM 607 N ARG A 38 20.475 -3.922 -9.807 1.00 0.00 N ATOM 608 CA ARG A 38 20.950 -2.619 -10.257 1.00 0.00 C ATOM 609 C ARG A 38 20.660 -2.414 -11.741 1.00 0.00 C ATOM 610 O ARG A 38 20.860 -3.315 -12.554 1.00 0.00 O ATOM 611 CB ARG A 38 22.452 -2.484 -9.993 1.00 0.00 C ATOM 612 CG ARG A 38 22.798 -1.380 -9.007 1.00 0.00 C ATOM 613 CD ARG A 38 22.717 -0.008 -9.656 1.00 0.00 C ATOM 614 NE ARG A 38 23.753 0.895 -9.161 1.00 0.00 N ATOM 615 CZ ARG A 38 23.791 1.367 -7.916 1.00 0.00 C ATOM 616 NH1 ARG A 38 22.855 1.022 -7.041 1.00 0.00 N ATOM 617 NH2 ARG A 38 24.768 2.183 -7.547 1.00 0.00 N ATOM 0 H ARG A 38 21.208 -4.542 -9.463 1.00 0.00 H new ATOM 0 HA ARG A 38 20.418 -1.851 -9.695 1.00 0.00 H new ATOM 0 HB2 ARG A 38 22.833 -3.432 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 38 22.963 -2.291 -10.936 1.00 0.00 H new ATOM 0 HG2 ARG A 38 22.116 -1.423 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 38 23.803 -1.541 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 38 22.813 -0.112 -10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 38 21.736 0.426 -9.464 1.00 0.00 H new ATOM 0 HE ARG A 38 24.490 1.181 -9.806 1.00 0.00 H new ATOM 0 HH11 ARG A 38 22.102 0.393 -7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 38 22.888 1.386 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 38 25.490 2.449 -8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 38 24.798 2.545 -6.594 1.00 0.00 H new ATOM 631 N PHE A 39 20.187 -1.220 -12.086 1.00 0.00 N ATOM 632 CA PHE A 39 19.870 -0.894 -13.471 1.00 0.00 C ATOM 633 C PHE A 39 20.563 0.395 -13.899 1.00 0.00 C ATOM 634 O PHE A 39 20.141 1.491 -13.536 1.00 0.00 O ATOM 635 CB PHE A 39 18.357 -0.755 -13.650 1.00 0.00 C ATOM 636 CG PHE A 39 17.751 0.343 -12.821 1.00 0.00 C ATOM 637 CD1 PHE A 39 17.635 0.207 -11.448 1.00 0.00 C ATOM 638 CD2 PHE A 39 17.302 1.510 -13.417 1.00 0.00 C ATOM 639 CE1 PHE A 39 17.079 1.216 -10.682 1.00 0.00 C ATOM 640 CE2 PHE A 39 16.746 2.522 -12.657 1.00 0.00 C ATOM 641 CZ PHE A 39 16.634 2.375 -11.288 1.00 0.00 C ATOM 0 H PHE A 39 20.015 -0.463 -11.425 1.00 0.00 H new ATOM 0 HA PHE A 39 20.232 -1.707 -14.101 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.140 -0.567 -14.701 1.00 0.00 H new ATOM 0 HB3 PHE A 39 17.880 -1.700 -13.390 1.00 0.00 H new ATOM 0 HD1 PHE A 39 17.982 -0.697 -10.970 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.387 1.631 -14.487 1.00 0.00 H new ATOM 0 HE1 PHE A 39 16.993 1.098 -9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.399 3.427 -13.133 1.00 0.00 H new ATOM 0 HZ PHE A 39 16.199 3.164 -10.693 1.00 0.00 H new HETATM 651 N NH2 A 40 21.633 0.261 -14.675 1.00 0.00 N TER 654 NH2 A 40