USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 CYS SG : rot -99:sc= 0.535 USER MOD Set 1.2: A 27 CYS SG : rot -168:sc= 0.074 USER MOD Set 1.3: A 47 CYS SG : rot -55:sc= -0.0184 USER MOD Set 1.4: A 50 CYS SG : rot -153:sc= -0.0297 USER MOD Set 2.1: A 18 ASN : amide:sc= -0.914! C(o=-2!,f=-7!) USER MOD Set 2.2: A 20 MET CE :methyl -132:sc= -1.26 (180deg=-3.48!) USER MOD Set 2.3: A 32 GLN : amide:sc= -1.09 K(o=-2,f=-1.4) USER MOD Set 2.4: A 34 TYR OH : rot -140:sc= 1.26 USER MOD Single : A 3 THR OG1 : rot -20:sc= 0.147 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -107:sc= -0.812 (180deg=-2.51!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.756 K(o=0.76,f=-0.039) USER MOD Single : A 22 THR OG1 : rot 90:sc= 0 USER MOD Single : A 23 TYR OH : rot 21:sc= 1.27 USER MOD Single : A 38 MET CE :methyl 152:sc= -0.69 (180deg=-1.8!) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -52:sc= 0.864 USER MOD Single : A 53 MET CE :methyl -152:sc= -0.304 (180deg=-1.03) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 86:sc= 0.221 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 -8.668 10.061 -14.750 1.00 0.00 N ATOM 30 CA THR A 3 -7.355 10.302 -15.315 1.00 0.00 C ATOM 31 C THR A 3 -6.547 11.233 -14.433 1.00 0.00 C ATOM 32 O THR A 3 -6.662 12.456 -14.509 1.00 0.00 O ATOM 33 CB THR A 3 -7.411 10.855 -16.744 1.00 0.00 C ATOM 34 OG1 THR A 3 -8.357 11.931 -16.842 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.775 9.745 -17.708 1.00 0.00 C ATOM 0 HA THR A 3 -6.863 9.330 -15.363 1.00 0.00 H new ATOM 0 HB THR A 3 -6.428 11.247 -17.003 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.988 11.881 -16.094 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.814 10.142 -18.722 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.024 8.957 -17.655 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.750 9.336 -17.441 1.00 0.00 H new ATOM 43 N TYR A 4 -5.758 10.633 -13.568 1.00 0.00 N ATOM 44 CA TYR A 4 -4.913 11.383 -12.658 1.00 0.00 C ATOM 45 C TYR A 4 -3.456 11.227 -13.037 1.00 0.00 C ATOM 46 O TYR A 4 -2.602 11.979 -12.575 1.00 0.00 O ATOM 47 CB TYR A 4 -5.152 10.944 -11.216 1.00 0.00 C ATOM 48 CG TYR A 4 -6.367 11.596 -10.591 1.00 0.00 C ATOM 49 CD1 TYR A 4 -6.292 12.888 -10.089 1.00 0.00 C ATOM 50 CD2 TYR A 4 -7.583 10.932 -10.513 1.00 0.00 C ATOM 51 CE1 TYR A 4 -7.393 13.502 -9.528 1.00 0.00 C ATOM 52 CE2 TYR A 4 -8.692 11.538 -9.950 1.00 0.00 C ATOM 53 CZ TYR A 4 -8.590 12.824 -9.458 1.00 0.00 C ATOM 54 OH TYR A 4 -9.691 13.439 -8.903 1.00 0.00 O ATOM 0 H TYR A 4 -5.683 9.620 -13.474 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.173 12.439 -12.736 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.273 9.861 -11.187 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.272 11.182 -10.619 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.355 13.422 -10.138 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.665 9.926 -10.898 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.317 14.509 -9.146 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.632 11.008 -9.896 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.456 12.827 -8.930 1.00 0.00 H new ATOM 64 N ASP A 5 -3.179 10.266 -13.904 1.00 0.00 N ATOM 65 CA ASP A 5 -1.831 10.070 -14.396 1.00 0.00 C ATOM 66 C ASP A 5 -1.706 10.756 -15.735 1.00 0.00 C ATOM 67 O ASP A 5 -2.519 10.532 -16.632 1.00 0.00 O ATOM 68 CB ASP A 5 -1.490 8.582 -14.515 1.00 0.00 C ATOM 69 CG ASP A 5 -1.297 7.920 -13.164 1.00 0.00 C ATOM 70 OD1 ASP A 5 -0.174 7.978 -12.629 1.00 0.00 O ATOM 71 OD2 ASP A 5 -2.272 7.341 -12.637 1.00 0.00 O ATOM 0 H ASP A 5 -3.868 9.614 -14.278 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.123 10.502 -13.689 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.288 8.072 -15.055 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.581 8.467 -15.105 1.00 0.00 H new ATOM 76 N GLU A 6 -0.706 11.603 -15.860 1.00 0.00 N ATOM 77 CA GLU A 6 -0.552 12.430 -17.041 1.00 0.00 C ATOM 78 C GLU A 6 0.823 12.206 -17.648 1.00 0.00 C ATOM 79 O GLU A 6 1.837 12.618 -17.084 1.00 0.00 O ATOM 80 CB GLU A 6 -0.749 13.899 -16.660 1.00 0.00 C ATOM 81 CG GLU A 6 -0.831 14.848 -17.841 1.00 0.00 C ATOM 82 CD GLU A 6 -1.065 16.276 -17.399 1.00 0.00 C ATOM 83 OE1 GLU A 6 -2.152 16.566 -16.852 1.00 0.00 O ATOM 84 OE2 GLU A 6 -0.157 17.116 -17.576 1.00 0.00 O ATOM 0 H GLU A 6 0.017 11.738 -15.154 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.302 12.159 -17.784 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.663 13.990 -16.073 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.075 14.209 -16.017 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.093 14.792 -18.417 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.638 14.535 -18.503 1.00 0.00 H new ATOM 91 N ILE A 7 0.856 11.540 -18.788 1.00 0.00 N ATOM 92 CA ILE A 7 2.115 11.181 -19.419 1.00 0.00 C ATOM 93 C ILE A 7 2.294 11.962 -20.711 1.00 0.00 C ATOM 94 O ILE A 7 1.320 12.336 -21.362 1.00 0.00 O ATOM 95 CB ILE A 7 2.200 9.665 -19.739 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.662 8.819 -18.586 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.630 9.260 -20.048 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.192 8.496 -18.724 1.00 0.00 C ATOM 0 H ILE A 7 0.026 11.236 -19.297 1.00 0.00 H new ATOM 0 HA ILE A 7 2.906 11.427 -18.710 1.00 0.00 H new ATOM 0 HB ILE A 7 1.580 9.484 -20.617 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.229 7.889 -18.530 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.825 9.349 -17.647 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.666 8.193 -20.269 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.989 9.822 -20.910 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.263 9.473 -19.187 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.129 7.893 -17.875 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.383 9.422 -18.751 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.027 7.940 -19.647 1.00 0.00 H new ATOM 110 N GLU A 8 3.539 12.224 -21.062 1.00 0.00 N ATOM 111 CA GLU A 8 3.855 12.838 -22.336 1.00 0.00 C ATOM 112 C GLU A 8 3.623 11.844 -23.464 1.00 0.00 C ATOM 113 O GLU A 8 3.850 10.642 -23.298 1.00 0.00 O ATOM 114 CB GLU A 8 5.317 13.294 -22.358 1.00 0.00 C ATOM 115 CG GLU A 8 5.613 14.471 -21.447 1.00 0.00 C ATOM 116 CD GLU A 8 4.947 15.747 -21.918 1.00 0.00 C ATOM 117 OE1 GLU A 8 5.421 16.334 -22.916 1.00 0.00 O ATOM 118 OE2 GLU A 8 3.955 16.164 -21.293 1.00 0.00 O ATOM 0 H GLU A 8 4.351 12.020 -20.479 1.00 0.00 H new ATOM 0 HA GLU A 8 3.207 13.703 -22.473 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.952 12.456 -22.069 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.587 13.562 -23.379 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.275 14.239 -20.437 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.691 14.625 -21.395 1.00 0.00 H new ATOM 125 N ILE A 9 3.175 12.342 -24.608 1.00 0.00 N ATOM 126 CA ILE A 9 3.074 11.524 -25.809 1.00 0.00 C ATOM 127 C ILE A 9 4.473 11.049 -26.200 1.00 0.00 C ATOM 128 O ILE A 9 4.652 9.998 -26.810 1.00 0.00 O ATOM 129 CB ILE A 9 2.398 12.296 -26.971 1.00 0.00 C ATOM 130 CG1 ILE A 9 2.041 11.346 -28.111 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.293 13.419 -27.481 1.00 0.00 C ATOM 132 CD1 ILE A 9 1.117 11.959 -29.142 1.00 0.00 C ATOM 0 H ILE A 9 2.875 13.309 -24.730 1.00 0.00 H new ATOM 0 HA ILE A 9 2.442 10.661 -25.601 1.00 0.00 H new ATOM 0 HB ILE A 9 1.481 12.741 -26.585 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.958 11.022 -28.604 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.570 10.455 -27.696 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.792 13.942 -28.295 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.496 14.119 -26.671 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.232 13.000 -27.842 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.906 11.228 -29.922 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.185 12.258 -28.663 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.594 12.833 -29.584 1.00 0.00 H new ATOM 144 N GLU A 10 5.453 11.859 -25.816 1.00 0.00 N ATOM 145 CA GLU A 10 6.870 11.542 -25.962 1.00 0.00 C ATOM 146 C GLU A 10 7.229 10.222 -25.261 1.00 0.00 C ATOM 147 O GLU A 10 8.158 9.523 -25.671 1.00 0.00 O ATOM 148 CB GLU A 10 7.690 12.685 -25.351 1.00 0.00 C ATOM 149 CG GLU A 10 9.188 12.601 -25.595 1.00 0.00 C ATOM 150 CD GLU A 10 9.567 12.922 -27.024 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.216 14.024 -27.496 1.00 0.00 O ATOM 152 OE2 GLU A 10 10.235 12.088 -27.669 1.00 0.00 O ATOM 0 H GLU A 10 5.283 12.769 -25.388 1.00 0.00 H new ATOM 0 HA GLU A 10 7.095 11.427 -27.022 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.324 13.630 -25.752 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.513 12.705 -24.276 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.700 13.291 -24.924 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.536 11.598 -25.348 1.00 0.00 H new ATOM 159 N ASP A 11 6.501 9.890 -24.199 1.00 0.00 N ATOM 160 CA ASP A 11 6.811 8.704 -23.405 1.00 0.00 C ATOM 161 C ASP A 11 5.983 7.506 -23.856 1.00 0.00 C ATOM 162 O ASP A 11 6.496 6.389 -23.934 1.00 0.00 O ATOM 163 CB ASP A 11 6.586 8.978 -21.916 1.00 0.00 C ATOM 164 CG ASP A 11 7.033 7.825 -21.033 1.00 0.00 C ATOM 165 OD1 ASP A 11 8.255 7.673 -20.821 1.00 0.00 O ATOM 166 OD2 ASP A 11 6.172 7.072 -20.541 1.00 0.00 O ATOM 0 H ASP A 11 5.696 10.422 -23.869 1.00 0.00 H new ATOM 0 HA ASP A 11 7.863 8.465 -23.560 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.128 9.880 -21.631 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.528 9.174 -21.743 1.00 0.00 H new ATOM 171 N MET A 12 4.704 7.736 -24.149 1.00 0.00 N ATOM 172 CA MET A 12 3.845 6.677 -24.675 1.00 0.00 C ATOM 173 C MET A 12 4.382 6.151 -26.005 1.00 0.00 C ATOM 174 O MET A 12 4.943 6.897 -26.804 1.00 0.00 O ATOM 175 CB MET A 12 2.407 7.168 -24.848 1.00 0.00 C ATOM 176 CG MET A 12 1.680 7.402 -23.534 1.00 0.00 C ATOM 177 SD MET A 12 -0.082 7.697 -23.759 1.00 0.00 S ATOM 178 CE MET A 12 -0.577 6.185 -24.582 1.00 0.00 C ATOM 0 H MET A 12 4.243 8.638 -24.032 1.00 0.00 H new ATOM 0 HA MET A 12 3.846 5.863 -23.951 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.416 8.097 -25.419 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.851 6.438 -25.436 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.820 6.536 -22.887 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.125 8.256 -23.024 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.780 6.392 -25.633 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.224 5.450 -24.505 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.477 5.791 -24.109 1.00 0.00 H new ATOM 188 N THR A 13 4.201 4.860 -26.234 1.00 0.00 N ATOM 189 CA THR A 13 4.754 4.208 -27.409 1.00 0.00 C ATOM 190 C THR A 13 3.773 4.259 -28.577 1.00 0.00 C ATOM 191 O THR A 13 2.633 3.804 -28.467 1.00 0.00 O ATOM 192 CB THR A 13 5.101 2.742 -27.099 1.00 0.00 C ATOM 193 OG1 THR A 13 5.864 2.678 -25.888 1.00 0.00 O ATOM 194 CG2 THR A 13 5.892 2.112 -28.237 1.00 0.00 C ATOM 0 H THR A 13 3.673 4.241 -25.618 1.00 0.00 H new ATOM 0 HA THR A 13 5.661 4.744 -27.688 1.00 0.00 H new ATOM 0 HB THR A 13 4.171 2.185 -26.982 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.084 1.744 -25.689 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.123 1.076 -27.990 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.301 2.143 -29.152 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.820 2.665 -28.385 1.00 0.00 H new ATOM 202 N PHE A 14 4.223 4.806 -29.696 1.00 0.00 N ATOM 203 CA PHE A 14 3.389 4.886 -30.881 1.00 0.00 C ATOM 204 C PHE A 14 3.264 3.514 -31.533 1.00 0.00 C ATOM 205 O PHE A 14 4.245 2.781 -31.651 1.00 0.00 O ATOM 206 CB PHE A 14 3.950 5.916 -31.873 1.00 0.00 C ATOM 207 CG PHE A 14 5.352 5.633 -32.352 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.451 5.986 -31.579 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.570 5.025 -33.581 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.736 5.732 -32.021 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.853 4.772 -34.026 1.00 0.00 C ATOM 212 CZ PHE A 14 7.938 5.125 -33.244 1.00 0.00 C ATOM 0 H PHE A 14 5.158 5.199 -29.806 1.00 0.00 H new ATOM 0 HA PHE A 14 2.394 5.216 -30.583 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.288 5.965 -32.738 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.933 6.899 -31.403 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.300 6.464 -30.622 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.727 4.747 -34.196 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.582 6.009 -31.409 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.009 4.299 -34.984 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.942 4.926 -33.590 1.00 0.00 H new ATOM 222 N GLU A 15 2.052 3.164 -31.927 1.00 0.00 N ATOM 223 CA GLU A 15 1.797 1.886 -32.569 1.00 0.00 C ATOM 224 C GLU A 15 1.262 2.105 -33.980 1.00 0.00 C ATOM 225 O GLU A 15 0.048 2.184 -34.191 1.00 0.00 O ATOM 226 CB GLU A 15 0.814 1.054 -31.735 1.00 0.00 C ATOM 227 CG GLU A 15 0.513 -0.316 -32.318 1.00 0.00 C ATOM 228 CD GLU A 15 1.769 -1.106 -32.608 1.00 0.00 C ATOM 229 OE1 GLU A 15 2.306 -0.984 -33.728 1.00 0.00 O ATOM 230 OE2 GLU A 15 2.226 -1.855 -31.715 1.00 0.00 O ATOM 0 H GLU A 15 1.225 3.750 -31.813 1.00 0.00 H new ATOM 0 HA GLU A 15 2.734 1.334 -32.638 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.221 0.929 -30.731 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.120 1.607 -31.634 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.112 -0.875 -31.622 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.060 -0.199 -33.238 1.00 0.00 H new ATOM 237 N PRO A 16 2.172 2.216 -34.964 1.00 0.00 N ATOM 238 CA PRO A 16 1.818 2.539 -36.350 1.00 0.00 C ATOM 239 C PRO A 16 1.033 1.422 -37.031 1.00 0.00 C ATOM 240 O PRO A 16 0.397 1.646 -38.058 1.00 0.00 O ATOM 241 CB PRO A 16 3.173 2.740 -37.036 1.00 0.00 C ATOM 242 CG PRO A 16 4.138 1.965 -36.210 1.00 0.00 C ATOM 243 CD PRO A 16 3.626 2.026 -34.798 1.00 0.00 C ATOM 0 HA PRO A 16 1.168 3.412 -36.404 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.153 2.378 -38.064 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.444 3.795 -37.075 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.205 0.933 -36.555 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.139 2.390 -36.280 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.851 1.111 -34.250 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.077 2.849 -34.243 1.00 0.00 H new ATOM 251 N GLU A 17 1.060 0.230 -36.440 1.00 0.00 N ATOM 252 CA GLU A 17 0.359 -0.920 -37.003 1.00 0.00 C ATOM 253 C GLU A 17 -1.149 -0.746 -36.908 1.00 0.00 C ATOM 254 O GLU A 17 -1.897 -1.260 -37.738 1.00 0.00 O ATOM 255 CB GLU A 17 0.764 -2.203 -36.279 1.00 0.00 C ATOM 256 CG GLU A 17 2.183 -2.658 -36.568 1.00 0.00 C ATOM 257 CD GLU A 17 2.538 -3.929 -35.826 1.00 0.00 C ATOM 258 OE1 GLU A 17 1.760 -4.904 -35.900 1.00 0.00 O ATOM 259 OE2 GLU A 17 3.594 -3.959 -35.158 1.00 0.00 O ATOM 0 H GLU A 17 1.559 0.036 -35.572 1.00 0.00 H new ATOM 0 HA GLU A 17 0.640 -0.991 -38.054 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.654 -2.051 -35.205 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.075 -2.999 -36.560 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.300 -2.820 -37.640 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.880 -1.869 -36.287 1.00 0.00 H new ATOM 266 N ASN A 18 -1.595 -0.023 -35.894 1.00 0.00 N ATOM 267 CA ASN A 18 -3.023 0.167 -35.680 1.00 0.00 C ATOM 268 C ASN A 18 -3.387 1.646 -35.773 1.00 0.00 C ATOM 269 O ASN A 18 -4.527 2.034 -35.513 1.00 0.00 O ATOM 270 CB ASN A 18 -3.429 -0.406 -34.321 1.00 0.00 C ATOM 271 CG ASN A 18 -4.920 -0.693 -34.219 1.00 0.00 C ATOM 272 OD1 ASN A 18 -5.522 -0.568 -33.155 1.00 0.00 O ATOM 273 ND2 ASN A 18 -5.517 -1.107 -35.318 1.00 0.00 N ATOM 0 H ASN A 18 -0.996 0.439 -35.210 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.569 -0.365 -36.459 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.874 -1.327 -34.140 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.145 0.296 -33.537 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.511 -1.336 -35.303 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.985 -1.199 -36.184 1.00 0.00 H new ATOM 280 N GLN A 19 -2.398 2.461 -36.153 1.00 0.00 N ATOM 281 CA GLN A 19 -2.572 3.908 -36.288 1.00 0.00 C ATOM 282 C GLN A 19 -3.004 4.536 -34.958 1.00 0.00 C ATOM 283 O GLN A 19 -3.881 5.402 -34.921 1.00 0.00 O ATOM 284 CB GLN A 19 -3.591 4.248 -37.389 1.00 0.00 C ATOM 285 CG GLN A 19 -3.116 3.981 -38.814 1.00 0.00 C ATOM 286 CD GLN A 19 -3.238 2.528 -39.240 1.00 0.00 C ATOM 287 OE1 GLN A 19 -4.287 2.101 -39.717 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.163 1.766 -39.109 1.00 0.00 N ATOM 0 H GLN A 19 -1.457 2.136 -36.375 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.607 4.327 -36.573 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.500 3.673 -37.212 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.858 5.301 -37.303 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.692 4.601 -39.501 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.074 4.290 -38.903 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.309 2.154 -38.709 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.189 0.791 -39.408 1.00 0.00 H new ATOM 297 N MET A 20 -2.368 4.114 -33.869 1.00 0.00 N ATOM 298 CA MET A 20 -2.720 4.604 -32.542 1.00 0.00 C ATOM 299 C MET A 20 -1.487 4.705 -31.655 1.00 0.00 C ATOM 300 O MET A 20 -0.389 4.308 -32.048 1.00 0.00 O ATOM 301 CB MET A 20 -3.745 3.673 -31.884 1.00 0.00 C ATOM 302 CG MET A 20 -3.235 2.257 -31.680 1.00 0.00 C ATOM 303 SD MET A 20 -4.381 1.218 -30.757 1.00 0.00 S ATOM 304 CE MET A 20 -3.568 -0.372 -30.891 1.00 0.00 C ATOM 0 H MET A 20 -1.607 3.435 -33.880 1.00 0.00 H new ATOM 0 HA MET A 20 -3.154 5.597 -32.657 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.035 4.089 -30.919 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.644 3.642 -32.500 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.045 1.802 -32.652 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.282 2.293 -31.153 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.294 -1.127 -31.192 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.774 -0.313 -31.636 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.140 -0.644 -29.926 1.00 0.00 H new ATOM 314 N PHE A 21 -1.671 5.247 -30.463 1.00 0.00 N ATOM 315 CA PHE A 21 -0.625 5.256 -29.453 1.00 0.00 C ATOM 316 C PHE A 21 -0.990 4.276 -28.352 1.00 0.00 C ATOM 317 O PHE A 21 -2.163 4.136 -27.998 1.00 0.00 O ATOM 318 CB PHE A 21 -0.419 6.657 -28.868 1.00 0.00 C ATOM 319 CG PHE A 21 0.170 7.642 -29.837 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.645 8.391 -30.668 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.541 7.817 -29.912 1.00 0.00 C ATOM 322 CE1 PHE A 21 -0.101 9.298 -31.556 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.090 8.721 -30.800 1.00 0.00 C ATOM 324 CZ PHE A 21 1.267 9.462 -31.623 1.00 0.00 C ATOM 0 H PHE A 21 -2.542 5.690 -30.169 1.00 0.00 H new ATOM 0 HA PHE A 21 0.313 4.957 -29.921 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.378 7.038 -28.516 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.233 6.584 -27.998 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.717 8.265 -30.622 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.189 7.240 -29.269 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.747 9.879 -32.198 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.161 8.848 -30.850 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.693 10.170 -32.319 1.00 0.00 H new ATOM 334 N THR A 22 0.004 3.586 -27.819 1.00 0.00 N ATOM 335 CA THR A 22 -0.239 2.560 -26.825 1.00 0.00 C ATOM 336 C THR A 22 0.777 2.639 -25.692 1.00 0.00 C ATOM 337 O THR A 22 1.787 3.336 -25.800 1.00 0.00 O ATOM 338 CB THR A 22 -0.198 1.151 -27.454 1.00 0.00 C ATOM 339 OG1 THR A 22 1.072 0.926 -28.085 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.308 0.974 -28.481 1.00 0.00 C ATOM 0 H THR A 22 0.986 3.719 -28.059 1.00 0.00 H new ATOM 0 HA THR A 22 -1.235 2.737 -26.420 1.00 0.00 H new ATOM 0 HB THR A 22 -0.344 0.426 -26.653 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.694 0.533 -27.438 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.253 -0.028 -28.907 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.276 1.111 -27.998 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.191 1.712 -29.274 1.00 0.00 H new ATOM 348 N TYR A 23 0.506 1.936 -24.605 1.00 0.00 N ATOM 349 CA TYR A 23 1.423 1.895 -23.484 1.00 0.00 C ATOM 350 C TYR A 23 1.352 0.529 -22.819 1.00 0.00 C ATOM 351 O TYR A 23 0.272 0.078 -22.445 1.00 0.00 O ATOM 352 CB TYR A 23 1.099 3.004 -22.477 1.00 0.00 C ATOM 353 CG TYR A 23 2.302 3.462 -21.680 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.341 4.140 -22.303 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.402 3.214 -20.315 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.443 4.564 -21.593 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.506 3.637 -19.595 1.00 0.00 C ATOM 358 CZ TYR A 23 4.523 4.311 -20.240 1.00 0.00 C ATOM 359 OH TYR A 23 5.624 4.737 -19.532 1.00 0.00 O ATOM 0 H TYR A 23 -0.343 1.386 -24.477 1.00 0.00 H new ATOM 0 HA TYR A 23 2.437 2.061 -23.849 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.679 3.857 -23.010 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.331 2.648 -21.790 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.284 4.339 -23.363 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.608 2.684 -19.810 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.241 5.092 -22.094 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.571 3.441 -18.535 1.00 0.00 H new ATOM 0 HH TYR A 23 6.069 5.459 -20.023 1.00 0.00 H new ATOM 369 N PRO A 24 2.499 -0.153 -22.706 1.00 0.00 N ATOM 370 CA PRO A 24 2.581 -1.491 -22.109 1.00 0.00 C ATOM 371 C PRO A 24 1.973 -1.558 -20.707 1.00 0.00 C ATOM 372 O PRO A 24 2.505 -0.982 -19.754 1.00 0.00 O ATOM 373 CB PRO A 24 4.087 -1.771 -22.053 1.00 0.00 C ATOM 374 CG PRO A 24 4.680 -0.900 -23.105 1.00 0.00 C ATOM 375 CD PRO A 24 3.812 0.326 -23.171 1.00 0.00 C ATOM 0 HA PRO A 24 2.018 -2.221 -22.691 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.496 -1.537 -21.070 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.300 -2.823 -22.245 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.708 -0.636 -22.858 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.704 -1.412 -24.067 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.196 1.124 -22.535 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.758 0.724 -24.184 1.00 0.00 H new ATOM 383 N CYS A 25 0.861 -2.269 -20.599 1.00 0.00 N ATOM 384 CA CYS A 25 0.171 -2.459 -19.332 1.00 0.00 C ATOM 385 C CYS A 25 0.133 -3.940 -18.984 1.00 0.00 C ATOM 386 O CYS A 25 -0.061 -4.783 -19.862 1.00 0.00 O ATOM 387 CB CYS A 25 -1.257 -1.901 -19.422 1.00 0.00 C ATOM 388 SG CYS A 25 -2.317 -2.261 -17.981 1.00 0.00 S ATOM 0 H CYS A 25 0.411 -2.731 -21.389 1.00 0.00 H new ATOM 0 HA CYS A 25 0.708 -1.923 -18.549 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.201 -0.820 -19.552 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.734 -2.306 -20.315 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.084 -3.275 -18.249 1.00 0.00 H new ATOM 393 N PRO A 26 0.369 -4.299 -17.720 1.00 0.00 N ATOM 394 CA PRO A 26 0.228 -5.669 -17.290 1.00 0.00 C ATOM 395 C PRO A 26 -1.196 -5.968 -16.827 1.00 0.00 C ATOM 396 O PRO A 26 -1.654 -5.447 -15.808 1.00 0.00 O ATOM 397 CB PRO A 26 1.214 -5.762 -16.124 1.00 0.00 C ATOM 398 CG PRO A 26 1.337 -4.368 -15.583 1.00 0.00 C ATOM 399 CD PRO A 26 0.797 -3.417 -16.629 1.00 0.00 C ATOM 0 HA PRO A 26 0.425 -6.387 -18.086 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.851 -6.448 -15.359 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.181 -6.139 -16.458 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.779 -4.269 -14.652 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.378 -4.136 -15.357 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.034 -2.828 -16.242 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.560 -2.713 -16.961 1.00 0.00 H new ATOM 407 N CYS A 27 -1.841 -6.877 -17.544 1.00 0.00 N ATOM 408 CA CYS A 27 -3.222 -7.265 -17.286 1.00 0.00 C ATOM 409 C CYS A 27 -3.663 -8.236 -18.375 1.00 0.00 C ATOM 410 O CYS A 27 -4.337 -9.232 -18.111 1.00 0.00 O ATOM 411 CB CYS A 27 -4.159 -6.041 -17.275 1.00 0.00 C ATOM 412 SG CYS A 27 -4.441 -5.288 -18.915 1.00 0.00 S ATOM 0 H CYS A 27 -1.417 -7.371 -18.329 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.278 -7.735 -16.304 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.120 -6.339 -16.856 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.741 -5.286 -16.609 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.030 -4.138 -18.769 1.00 0.00 H new ATOM 417 N GLY A 28 -3.267 -7.921 -19.604 1.00 0.00 N ATOM 418 CA GLY A 28 -3.599 -8.745 -20.745 1.00 0.00 C ATOM 419 C GLY A 28 -3.632 -7.942 -22.032 1.00 0.00 C ATOM 420 O GLY A 28 -3.617 -8.511 -23.124 1.00 0.00 O ATOM 0 H GLY A 28 -2.713 -7.095 -19.829 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.869 -9.549 -20.837 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.570 -9.213 -20.584 1.00 0.00 H new ATOM 424 N ASP A 29 -3.682 -6.622 -21.898 1.00 0.00 N ATOM 425 CA ASP A 29 -3.701 -5.727 -23.050 1.00 0.00 C ATOM 426 C ASP A 29 -2.876 -4.484 -22.747 1.00 0.00 C ATOM 427 O ASP A 29 -2.330 -4.354 -21.654 1.00 0.00 O ATOM 428 CB ASP A 29 -5.129 -5.334 -23.417 1.00 0.00 C ATOM 429 CG ASP A 29 -5.329 -5.204 -24.919 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.675 -4.350 -25.546 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.155 -5.966 -25.477 1.00 0.00 O ATOM 0 H ASP A 29 -3.710 -6.145 -20.997 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.267 -6.251 -23.902 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.820 -6.080 -23.025 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.377 -4.387 -22.937 1.00 0.00 H new ATOM 436 N ARG A 30 -2.733 -3.610 -23.728 1.00 0.00 N ATOM 437 CA ARG A 30 -1.987 -2.376 -23.546 1.00 0.00 C ATOM 438 C ARG A 30 -2.924 -1.174 -23.643 1.00 0.00 C ATOM 439 O ARG A 30 -3.966 -1.250 -24.297 1.00 0.00 O ATOM 440 CB ARG A 30 -0.886 -2.267 -24.603 1.00 0.00 C ATOM 441 CG ARG A 30 -1.414 -2.185 -26.027 1.00 0.00 C ATOM 442 CD ARG A 30 -0.285 -2.110 -27.042 1.00 0.00 C ATOM 443 NE ARG A 30 0.392 -3.391 -27.228 1.00 0.00 N ATOM 444 CZ ARG A 30 1.607 -3.521 -27.754 1.00 0.00 C ATOM 445 NH1 ARG A 30 2.315 -2.447 -28.092 1.00 0.00 N ATOM 446 NH2 ARG A 30 2.123 -4.729 -27.936 1.00 0.00 N ATOM 0 H ARG A 30 -3.125 -3.732 -24.662 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.529 -2.386 -22.557 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.282 -1.383 -24.397 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.226 -3.130 -24.518 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.034 -3.057 -26.236 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.053 -1.308 -26.128 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.684 -1.772 -27.999 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.441 -1.364 -26.718 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.097 -4.238 -26.937 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.927 -1.515 -27.948 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.246 -2.556 -28.495 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.588 -5.557 -27.673 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.054 -4.830 -28.339 1.00 0.00 H new ATOM 460 N PHE A 31 -2.554 -0.069 -22.992 1.00 0.00 N ATOM 461 CA PHE A 31 -3.307 1.179 -23.114 1.00 0.00 C ATOM 462 C PHE A 31 -3.416 1.575 -24.579 1.00 0.00 C ATOM 463 O PHE A 31 -2.428 1.521 -25.310 1.00 0.00 O ATOM 464 CB PHE A 31 -2.631 2.317 -22.341 1.00 0.00 C ATOM 465 CG PHE A 31 -2.630 2.142 -20.852 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.764 2.426 -20.111 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.496 1.706 -20.194 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.768 2.275 -18.741 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.492 1.555 -18.823 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.630 1.839 -18.096 1.00 0.00 C ATOM 0 H PHE A 31 -1.741 -0.014 -22.378 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.298 1.011 -22.693 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.601 2.410 -22.684 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.134 3.253 -22.584 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.657 2.770 -20.612 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.603 1.481 -20.759 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.660 2.498 -18.174 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.599 1.215 -18.319 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.629 1.720 -17.023 1.00 0.00 H new ATOM 480 N GLN A 32 -4.605 1.960 -25.006 1.00 0.00 N ATOM 481 CA GLN A 32 -4.828 2.291 -26.404 1.00 0.00 C ATOM 482 C GLN A 32 -5.520 3.639 -26.553 1.00 0.00 C ATOM 483 O GLN A 32 -6.505 3.924 -25.871 1.00 0.00 O ATOM 484 CB GLN A 32 -5.674 1.207 -27.073 1.00 0.00 C ATOM 485 CG GLN A 32 -4.986 -0.151 -27.157 1.00 0.00 C ATOM 486 CD GLN A 32 -5.882 -1.240 -27.725 1.00 0.00 C ATOM 487 OE1 GLN A 32 -5.412 -2.167 -28.391 1.00 0.00 O ATOM 488 NE2 GLN A 32 -7.176 -1.153 -27.453 1.00 0.00 N ATOM 0 H GLN A 32 -5.428 2.051 -24.410 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.854 2.349 -26.890 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.608 1.097 -26.521 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.935 1.534 -28.080 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.094 -0.062 -27.778 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.653 -0.445 -26.162 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.529 -0.373 -26.899 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.819 -1.866 -27.797 1.00 0.00 H new ATOM 497 N ILE A 33 -4.986 4.468 -27.435 1.00 0.00 N ATOM 498 CA ILE A 33 -5.632 5.713 -27.811 1.00 0.00 C ATOM 499 C ILE A 33 -5.443 5.961 -29.307 1.00 0.00 C ATOM 500 O ILE A 33 -4.326 5.891 -29.822 1.00 0.00 O ATOM 501 CB ILE A 33 -5.103 6.920 -26.994 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.879 8.186 -27.364 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.610 7.125 -27.215 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.485 9.400 -26.553 1.00 0.00 C ATOM 0 H ILE A 33 -4.098 4.298 -27.907 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.694 5.616 -27.586 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.256 6.708 -25.936 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.724 8.401 -28.421 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.945 8.001 -27.229 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.269 7.978 -26.629 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.070 6.231 -26.903 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.421 7.312 -28.272 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.077 10.258 -26.871 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.667 9.206 -25.496 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.427 9.612 -26.706 1.00 0.00 H new ATOM 516 N TYR A 34 -6.537 6.218 -30.007 1.00 0.00 N ATOM 517 CA TYR A 34 -6.490 6.399 -31.447 1.00 0.00 C ATOM 518 C TYR A 34 -6.290 7.860 -31.797 1.00 0.00 C ATOM 519 O TYR A 34 -6.648 8.750 -31.025 1.00 0.00 O ATOM 520 CB TYR A 34 -7.762 5.867 -32.105 1.00 0.00 C ATOM 521 CG TYR A 34 -7.822 4.357 -32.162 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.342 3.618 -31.106 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.354 3.672 -33.274 1.00 0.00 C ATOM 524 CE1 TYR A 34 -8.394 2.238 -31.163 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.404 2.294 -33.337 1.00 0.00 C ATOM 526 CZ TYR A 34 -7.924 1.582 -32.280 1.00 0.00 C ATOM 527 OH TYR A 34 -7.973 0.208 -32.344 1.00 0.00 O ATOM 0 H TYR A 34 -7.468 6.306 -29.600 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.642 5.831 -31.829 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.628 6.237 -31.557 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.832 6.265 -33.117 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.710 4.129 -30.229 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.943 4.227 -34.105 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.801 1.676 -30.335 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.037 1.777 -34.211 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.151 -0.130 -32.756 1.00 0.00 H new ATOM 537 N LEU A 35 -5.723 8.096 -32.969 1.00 0.00 N ATOM 538 CA LEU A 35 -5.412 9.443 -33.418 1.00 0.00 C ATOM 539 C LEU A 35 -6.682 10.284 -33.518 1.00 0.00 C ATOM 540 O LEU A 35 -6.671 11.478 -33.233 1.00 0.00 O ATOM 541 CB LEU A 35 -4.699 9.387 -34.774 1.00 0.00 C ATOM 542 CG LEU A 35 -3.556 10.393 -34.973 1.00 0.00 C ATOM 543 CD1 LEU A 35 -4.065 11.828 -34.960 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.490 10.196 -33.908 1.00 0.00 C ATOM 0 H LEU A 35 -5.467 7.364 -33.632 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.751 9.912 -32.689 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.301 8.382 -34.912 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.439 9.547 -35.558 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.115 10.209 -35.953 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.229 12.512 -35.104 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.788 11.965 -35.764 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.543 12.036 -34.003 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.686 10.916 -34.061 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.929 10.346 -32.922 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.090 9.184 -33.977 1.00 0.00 H new ATOM 556 N ASP A 36 -7.777 9.641 -33.904 1.00 0.00 N ATOM 557 CA ASP A 36 -9.066 10.316 -34.027 1.00 0.00 C ATOM 558 C ASP A 36 -9.499 10.915 -32.694 1.00 0.00 C ATOM 559 O ASP A 36 -9.913 12.068 -32.631 1.00 0.00 O ATOM 560 CB ASP A 36 -10.128 9.341 -34.532 1.00 0.00 C ATOM 561 CG ASP A 36 -11.511 9.959 -34.569 1.00 0.00 C ATOM 562 OD1 ASP A 36 -11.765 10.811 -35.446 1.00 0.00 O ATOM 563 OD2 ASP A 36 -12.355 9.589 -33.727 1.00 0.00 O ATOM 0 H ASP A 36 -7.799 8.649 -34.139 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.955 11.127 -34.747 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.858 9.001 -35.532 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.144 8.461 -33.889 1.00 0.00 H new ATOM 568 N ASP A 37 -9.368 10.137 -31.626 1.00 0.00 N ATOM 569 CA ASP A 37 -9.766 10.586 -30.294 1.00 0.00 C ATOM 570 C ASP A 37 -8.900 11.754 -29.841 1.00 0.00 C ATOM 571 O ASP A 37 -9.367 12.652 -29.143 1.00 0.00 O ATOM 572 CB ASP A 37 -9.662 9.443 -29.280 1.00 0.00 C ATOM 573 CG ASP A 37 -10.511 8.244 -29.655 1.00 0.00 C ATOM 574 OD1 ASP A 37 -11.742 8.278 -29.425 1.00 0.00 O ATOM 575 OD2 ASP A 37 -9.954 7.264 -30.190 1.00 0.00 O ATOM 0 H ASP A 37 -8.989 9.191 -31.655 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.804 10.914 -30.349 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.621 9.132 -29.195 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.967 9.806 -28.298 1.00 0.00 H new ATOM 580 N MET A 38 -7.637 11.741 -30.249 1.00 0.00 N ATOM 581 CA MET A 38 -6.714 12.816 -29.907 1.00 0.00 C ATOM 582 C MET A 38 -7.024 14.055 -30.742 1.00 0.00 C ATOM 583 O MET A 38 -6.931 15.184 -30.260 1.00 0.00 O ATOM 584 CB MET A 38 -5.265 12.365 -30.131 1.00 0.00 C ATOM 585 CG MET A 38 -4.953 11.025 -29.486 1.00 0.00 C ATOM 586 SD MET A 38 -3.205 10.591 -29.550 1.00 0.00 S ATOM 587 CE MET A 38 -2.546 11.651 -28.264 1.00 0.00 C ATOM 0 H MET A 38 -7.229 10.998 -30.817 1.00 0.00 H new ATOM 0 HA MET A 38 -6.837 13.065 -28.853 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.072 12.300 -31.202 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.589 13.121 -29.731 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.277 11.047 -28.445 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.532 10.247 -29.984 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.655 11.192 -27.836 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.286 12.621 -28.689 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.295 11.786 -27.484 1.00 0.00 H new ATOM 597 N PHE A 39 -7.419 13.827 -31.993 1.00 0.00 N ATOM 598 CA PHE A 39 -7.819 14.903 -32.897 1.00 0.00 C ATOM 599 C PHE A 39 -9.085 15.589 -32.387 1.00 0.00 C ATOM 600 O PHE A 39 -9.293 16.783 -32.612 1.00 0.00 O ATOM 601 CB PHE A 39 -8.041 14.340 -34.307 1.00 0.00 C ATOM 602 CG PHE A 39 -8.596 15.332 -35.291 1.00 0.00 C ATOM 603 CD1 PHE A 39 -7.780 16.298 -35.860 1.00 0.00 C ATOM 604 CD2 PHE A 39 -9.934 15.298 -35.648 1.00 0.00 C ATOM 605 CE1 PHE A 39 -8.290 17.209 -36.767 1.00 0.00 C ATOM 606 CE2 PHE A 39 -10.450 16.207 -36.553 1.00 0.00 C ATOM 607 CZ PHE A 39 -9.626 17.162 -37.113 1.00 0.00 C ATOM 0 H PHE A 39 -7.471 12.896 -32.407 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.023 15.647 -32.935 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -7.092 13.961 -34.687 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.721 13.491 -34.243 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.735 16.339 -35.592 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.583 14.552 -35.214 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.644 17.956 -37.204 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.496 16.170 -36.821 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.026 17.872 -37.822 1.00 0.00 H new ATOM 617 N GLU A 40 -9.916 14.824 -31.683 1.00 0.00 N ATOM 618 CA GLU A 40 -11.147 15.340 -31.096 1.00 0.00 C ATOM 619 C GLU A 40 -10.870 16.483 -30.123 1.00 0.00 C ATOM 620 O GLU A 40 -11.745 17.307 -29.850 1.00 0.00 O ATOM 621 CB GLU A 40 -11.883 14.221 -30.362 1.00 0.00 C ATOM 622 CG GLU A 40 -12.457 13.155 -31.277 1.00 0.00 C ATOM 623 CD GLU A 40 -13.586 13.678 -32.135 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.726 13.752 -31.633 1.00 0.00 O ATOM 625 OE2 GLU A 40 -13.350 14.008 -33.310 1.00 0.00 O ATOM 0 H GLU A 40 -9.755 13.833 -31.505 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.764 15.723 -31.908 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.197 13.750 -29.658 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.692 14.656 -29.776 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.666 12.767 -31.919 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.818 12.320 -30.676 1.00 0.00 H new ATOM 632 N GLY A 41 -9.655 16.525 -29.601 1.00 0.00 N ATOM 633 CA GLY A 41 -9.304 17.534 -28.628 1.00 0.00 C ATOM 634 C GLY A 41 -9.251 16.963 -27.230 1.00 0.00 C ATOM 635 O GLY A 41 -9.123 17.696 -26.248 1.00 0.00 O ATOM 0 H GLY A 41 -8.904 15.876 -29.835 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.336 17.965 -28.883 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.033 18.344 -28.664 1.00 0.00 H new ATOM 639 N GLU A 42 -9.358 15.646 -27.141 1.00 0.00 N ATOM 640 CA GLU A 42 -9.280 14.960 -25.868 1.00 0.00 C ATOM 641 C GLU A 42 -8.046 14.069 -25.853 1.00 0.00 C ATOM 642 O GLU A 42 -7.529 13.700 -26.908 1.00 0.00 O ATOM 643 CB GLU A 42 -10.553 14.144 -25.618 1.00 0.00 C ATOM 644 CG GLU A 42 -10.626 13.549 -24.220 1.00 0.00 C ATOM 645 CD GLU A 42 -10.500 14.597 -23.128 1.00 0.00 C ATOM 646 OE1 GLU A 42 -9.375 15.075 -22.880 1.00 0.00 O ATOM 647 OE2 GLU A 42 -11.529 14.952 -22.516 1.00 0.00 O ATOM 0 H GLU A 42 -9.500 15.031 -27.942 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.196 15.692 -25.065 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.422 14.782 -25.779 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.609 13.339 -26.351 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.573 13.021 -24.104 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.833 12.811 -24.102 1.00 0.00 H new ATOM 654 N LYS A 43 -7.567 13.734 -24.667 1.00 0.00 N ATOM 655 CA LYS A 43 -6.325 12.996 -24.544 1.00 0.00 C ATOM 656 C LYS A 43 -6.361 12.028 -23.360 1.00 0.00 C ATOM 657 O LYS A 43 -6.182 12.412 -22.206 1.00 0.00 O ATOM 658 CB LYS A 43 -5.140 13.971 -24.422 1.00 0.00 C ATOM 659 CG LYS A 43 -5.174 14.899 -23.204 1.00 0.00 C ATOM 660 CD LYS A 43 -6.264 15.950 -23.307 1.00 0.00 C ATOM 661 CE LYS A 43 -6.571 16.575 -21.959 1.00 0.00 C ATOM 662 NZ LYS A 43 -7.905 17.228 -21.955 1.00 0.00 N ATOM 0 H LYS A 43 -8.018 13.961 -23.781 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.195 12.398 -25.446 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.217 13.392 -24.390 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.101 14.583 -25.323 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.329 14.306 -22.303 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.207 15.391 -23.099 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.955 16.727 -24.006 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.169 15.497 -23.713 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.537 15.808 -21.185 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.804 17.310 -21.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.070 17.675 -21.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.939 17.952 -22.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.641 16.515 -22.131 1.00 0.00 H new ATOM 676 N VAL A 44 -6.596 10.764 -23.659 1.00 0.00 N ATOM 677 CA VAL A 44 -6.630 9.727 -22.641 1.00 0.00 C ATOM 678 C VAL A 44 -6.592 8.351 -23.282 1.00 0.00 C ATOM 679 O VAL A 44 -7.338 8.077 -24.222 1.00 0.00 O ATOM 680 CB VAL A 44 -7.875 9.860 -21.726 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.116 10.191 -22.537 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.100 8.594 -20.912 1.00 0.00 C ATOM 0 H VAL A 44 -6.768 10.427 -24.606 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.745 9.852 -22.017 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.685 10.681 -21.035 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.974 10.278 -21.870 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.967 11.135 -23.062 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.299 9.398 -23.262 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.980 8.719 -20.281 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.253 7.751 -21.586 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.228 8.404 -20.286 1.00 0.00 H new ATOM 692 N ALA A 45 -5.715 7.496 -22.781 1.00 0.00 N ATOM 693 CA ALA A 45 -5.604 6.142 -23.283 1.00 0.00 C ATOM 694 C ALA A 45 -6.326 5.190 -22.348 1.00 0.00 C ATOM 695 O ALA A 45 -6.158 5.257 -21.127 1.00 0.00 O ATOM 696 CB ALA A 45 -4.147 5.738 -23.441 1.00 0.00 C ATOM 0 H ALA A 45 -5.069 7.720 -22.024 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.069 6.094 -24.268 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.091 4.717 -23.819 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.657 6.412 -24.143 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.647 5.794 -22.474 1.00 0.00 H new ATOM 702 N VAL A 46 -7.141 4.319 -22.913 1.00 0.00 N ATOM 703 CA VAL A 46 -7.919 3.385 -22.121 1.00 0.00 C ATOM 704 C VAL A 46 -7.469 1.961 -22.415 1.00 0.00 C ATOM 705 O VAL A 46 -7.273 1.591 -23.576 1.00 0.00 O ATOM 706 CB VAL A 46 -9.434 3.520 -22.405 1.00 0.00 C ATOM 707 CG1 VAL A 46 -10.242 2.589 -21.512 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.890 4.958 -22.227 1.00 0.00 C ATOM 0 H VAL A 46 -7.282 4.239 -23.920 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.751 3.618 -21.070 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.607 3.231 -23.442 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.303 2.704 -21.732 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.943 1.557 -21.697 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.059 2.838 -20.467 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.958 5.029 -22.432 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.695 5.278 -21.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.345 5.601 -22.918 1.00 0.00 H new ATOM 718 N CYS A 47 -7.276 1.183 -21.367 1.00 0.00 N ATOM 719 CA CYS A 47 -6.838 -0.191 -21.508 1.00 0.00 C ATOM 720 C CYS A 47 -8.003 -1.148 -21.271 1.00 0.00 C ATOM 721 O CYS A 47 -8.747 -1.004 -20.297 1.00 0.00 O ATOM 722 CB CYS A 47 -5.723 -0.477 -20.508 1.00 0.00 C ATOM 723 SG CYS A 47 -4.806 -2.021 -20.811 1.00 0.00 S ATOM 0 H CYS A 47 -7.417 1.483 -20.402 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.465 -0.340 -22.521 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.020 0.356 -20.521 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.153 -0.516 -19.507 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.639 -3.017 -20.863 1.00 0.00 H new ATOM 728 N PRO A 48 -8.197 -2.114 -22.179 1.00 0.00 N ATOM 729 CA PRO A 48 -9.213 -3.150 -22.028 1.00 0.00 C ATOM 730 C PRO A 48 -8.761 -4.264 -21.077 1.00 0.00 C ATOM 731 O PRO A 48 -7.565 -4.461 -20.872 1.00 0.00 O ATOM 732 CB PRO A 48 -9.396 -3.677 -23.451 1.00 0.00 C ATOM 733 CG PRO A 48 -8.098 -3.418 -24.140 1.00 0.00 C ATOM 734 CD PRO A 48 -7.437 -2.259 -23.434 1.00 0.00 C ATOM 0 HA PRO A 48 -10.135 -2.768 -21.590 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.634 -4.741 -23.448 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.217 -3.168 -23.956 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.462 -4.302 -24.105 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.262 -3.184 -25.192 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.384 -2.460 -23.240 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.483 -1.350 -24.034 1.00 0.00 H new ATOM 742 N SER A 49 -9.735 -4.967 -20.499 1.00 0.00 N ATOM 743 CA SER A 49 -9.511 -6.034 -19.520 1.00 0.00 C ATOM 744 C SER A 49 -9.322 -5.475 -18.113 1.00 0.00 C ATOM 745 O SER A 49 -10.029 -5.882 -17.191 1.00 0.00 O ATOM 746 CB SER A 49 -8.344 -6.948 -19.905 1.00 0.00 C ATOM 747 OG SER A 49 -8.680 -7.766 -21.013 1.00 0.00 O ATOM 0 H SER A 49 -10.722 -4.808 -20.701 1.00 0.00 H new ATOM 0 HA SER A 49 -10.413 -6.646 -19.523 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.470 -6.344 -20.147 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.073 -7.575 -19.055 1.00 0.00 H new ATOM 0 HG SER A 49 -7.918 -8.339 -21.240 1.00 0.00 H new ATOM 753 N CYS A 50 -8.391 -4.547 -17.935 1.00 0.00 N ATOM 754 CA CYS A 50 -8.217 -3.934 -16.625 1.00 0.00 C ATOM 755 C CYS A 50 -9.094 -2.688 -16.521 1.00 0.00 C ATOM 756 O CYS A 50 -9.489 -2.285 -15.422 1.00 0.00 O ATOM 757 CB CYS A 50 -6.744 -3.608 -16.353 1.00 0.00 C ATOM 758 SG CYS A 50 -6.077 -2.225 -17.323 1.00 0.00 S ATOM 0 H CYS A 50 -7.759 -4.209 -18.661 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.530 -4.645 -15.860 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.627 -3.380 -15.294 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.147 -4.497 -16.556 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.793 -2.373 -17.463 1.00 0.00 H new ATOM 763 N SER A 51 -9.408 -2.106 -17.679 1.00 0.00 N ATOM 764 CA SER A 51 -10.337 -0.985 -17.779 1.00 0.00 C ATOM 765 C SER A 51 -9.793 0.253 -17.067 1.00 0.00 C ATOM 766 O SER A 51 -10.498 0.893 -16.283 1.00 0.00 O ATOM 767 CB SER A 51 -11.707 -1.387 -17.209 1.00 0.00 C ATOM 768 OG SER A 51 -12.633 -0.311 -17.260 1.00 0.00 O ATOM 0 H SER A 51 -9.023 -2.402 -18.576 1.00 0.00 H new ATOM 0 HA SER A 51 -10.455 -0.730 -18.832 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.101 -2.233 -17.771 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.589 -1.717 -16.177 1.00 0.00 H new ATOM 0 HG SER A 51 -12.237 0.481 -16.841 1.00 0.00 H new ATOM 774 N LEU A 52 -8.552 0.615 -17.357 1.00 0.00 N ATOM 775 CA LEU A 52 -7.956 1.769 -16.726 1.00 0.00 C ATOM 776 C LEU A 52 -7.612 2.833 -17.741 1.00 0.00 C ATOM 777 O LEU A 52 -7.422 2.552 -18.925 1.00 0.00 O ATOM 778 CB LEU A 52 -6.757 1.359 -15.887 1.00 0.00 C ATOM 779 CG LEU A 52 -7.141 0.983 -14.460 1.00 0.00 C ATOM 780 CD1 LEU A 52 -6.062 0.152 -13.792 1.00 0.00 C ATOM 781 CD2 LEU A 52 -7.422 2.241 -13.657 1.00 0.00 C ATOM 0 H LEU A 52 -7.948 0.128 -18.019 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.688 2.211 -16.050 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.259 0.513 -16.360 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.038 2.178 -15.862 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.043 0.372 -14.499 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.371 -0.097 -12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.906 -0.766 -14.359 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.133 0.721 -13.759 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.696 1.968 -12.638 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.530 2.867 -13.638 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.242 2.792 -14.118 1.00 0.00 H new ATOM 793 N MET A 53 -7.565 4.059 -17.263 1.00 0.00 N ATOM 794 CA MET A 53 -7.486 5.229 -18.132 1.00 0.00 C ATOM 795 C MET A 53 -6.452 6.223 -17.638 1.00 0.00 C ATOM 796 O MET A 53 -6.371 6.498 -16.442 1.00 0.00 O ATOM 797 CB MET A 53 -8.846 5.923 -18.189 1.00 0.00 C ATOM 798 CG MET A 53 -9.973 4.988 -18.576 1.00 0.00 C ATOM 799 SD MET A 53 -11.599 5.607 -18.099 1.00 0.00 S ATOM 800 CE MET A 53 -11.441 5.643 -16.311 1.00 0.00 C ATOM 0 H MET A 53 -7.580 4.279 -16.267 1.00 0.00 H new ATOM 0 HA MET A 53 -7.191 4.884 -19.123 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.064 6.363 -17.216 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.799 6.743 -18.906 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.953 4.830 -19.654 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.809 4.017 -18.109 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.423 5.511 -15.856 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.780 4.838 -15.988 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.024 6.601 -16.002 1.00 0.00 H new ATOM 810 N ILE A 54 -5.689 6.784 -18.567 1.00 0.00 N ATOM 811 CA ILE A 54 -4.664 7.759 -18.227 1.00 0.00 C ATOM 812 C ILE A 54 -4.614 8.894 -19.252 1.00 0.00 C ATOM 813 O ILE A 54 -4.971 8.703 -20.411 1.00 0.00 O ATOM 814 CB ILE A 54 -3.278 7.085 -18.066 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.943 6.154 -19.247 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.256 6.292 -16.774 1.00 0.00 C ATOM 817 CD1 ILE A 54 -2.538 6.857 -20.526 1.00 0.00 C ATOM 0 H ILE A 54 -5.762 6.579 -19.564 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.932 8.196 -17.265 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.525 7.872 -18.045 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.135 5.487 -18.946 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.812 5.529 -19.454 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.283 5.816 -16.656 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.437 6.962 -15.933 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.033 5.528 -16.803 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.323 6.116 -21.296 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.351 7.502 -20.860 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.648 7.460 -20.344 1.00 0.00 H new ATOM 829 N ASP A 55 -4.178 10.068 -18.814 1.00 0.00 N ATOM 830 CA ASP A 55 -4.201 11.273 -19.644 1.00 0.00 C ATOM 831 C ASP A 55 -2.870 11.415 -20.390 1.00 0.00 C ATOM 832 O ASP A 55 -1.824 11.015 -19.869 1.00 0.00 O ATOM 833 CB ASP A 55 -4.436 12.487 -18.738 1.00 0.00 C ATOM 834 CG ASP A 55 -5.035 13.679 -19.453 1.00 0.00 C ATOM 835 OD1 ASP A 55 -4.276 14.462 -20.054 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.272 13.857 -19.374 1.00 0.00 O ATOM 0 H ASP A 55 -3.799 10.215 -17.878 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.002 11.206 -20.380 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.097 12.196 -17.921 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.487 12.783 -18.291 1.00 0.00 H new ATOM 841 N VAL A 56 -2.894 11.979 -21.596 1.00 0.00 N ATOM 842 CA VAL A 56 -1.677 12.067 -22.411 1.00 0.00 C ATOM 843 C VAL A 56 -1.479 13.458 -23.031 1.00 0.00 C ATOM 844 O VAL A 56 -2.329 13.959 -23.760 1.00 0.00 O ATOM 845 CB VAL A 56 -1.668 10.997 -23.535 1.00 0.00 C ATOM 846 CG1 VAL A 56 -2.929 11.069 -24.387 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.426 11.137 -24.405 1.00 0.00 C ATOM 0 H VAL A 56 -3.728 12.377 -22.028 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.848 11.881 -21.728 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.647 10.018 -23.055 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.888 10.305 -25.164 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.803 10.900 -23.758 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.000 12.053 -24.850 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.441 10.377 -25.186 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.412 12.126 -24.862 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.465 11.008 -23.791 1.00 0.00 H new ATOM 857 N VAL A 57 -0.335 14.071 -22.756 1.00 0.00 N ATOM 858 CA VAL A 57 -0.017 15.383 -23.315 1.00 0.00 C ATOM 859 C VAL A 57 0.478 15.250 -24.757 1.00 0.00 C ATOM 860 O VAL A 57 1.537 14.672 -25.006 1.00 0.00 O ATOM 861 CB VAL A 57 1.044 16.119 -22.473 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.316 17.505 -23.036 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.608 16.205 -21.021 1.00 0.00 C ATOM 0 H VAL A 57 0.389 13.683 -22.151 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.935 15.970 -23.299 1.00 0.00 H new ATOM 0 HB VAL A 57 1.971 15.548 -22.519 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.068 18.005 -22.425 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.680 17.417 -24.060 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.395 18.088 -23.027 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.370 16.728 -20.443 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.334 16.749 -20.956 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.475 15.200 -20.621 1.00 0.00 H new ATOM 873 N PHE A 58 -0.295 15.789 -25.694 1.00 0.00 N ATOM 874 CA PHE A 58 0.013 15.677 -27.119 1.00 0.00 C ATOM 875 C PHE A 58 0.158 17.059 -27.750 1.00 0.00 C ATOM 876 O PHE A 58 -0.233 18.067 -27.152 1.00 0.00 O ATOM 877 CB PHE A 58 -1.095 14.901 -27.840 1.00 0.00 C ATOM 878 CG PHE A 58 -2.414 15.627 -27.888 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.298 15.569 -26.823 1.00 0.00 C ATOM 880 CD2 PHE A 58 -2.767 16.369 -29.002 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.508 16.237 -26.871 1.00 0.00 C ATOM 882 CE2 PHE A 58 -3.973 17.040 -29.056 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.845 16.974 -27.989 1.00 0.00 C ATOM 0 H PHE A 58 -1.147 16.312 -25.492 1.00 0.00 H new ATOM 0 HA PHE A 58 0.957 15.141 -27.221 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.772 14.687 -28.859 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.237 13.942 -27.342 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.039 14.996 -25.945 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.089 16.424 -29.841 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.189 16.182 -26.035 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.233 17.615 -29.932 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.789 17.497 -28.028 1.00 0.00 H new ATOM 893 N ASP A 59 0.730 17.105 -28.946 1.00 0.00 N ATOM 894 CA ASP A 59 0.818 18.347 -29.706 1.00 0.00 C ATOM 895 C ASP A 59 0.122 18.188 -31.049 1.00 0.00 C ATOM 896 O ASP A 59 -0.103 17.076 -31.522 1.00 0.00 O ATOM 897 CB ASP A 59 2.274 18.753 -29.953 1.00 0.00 C ATOM 898 CG ASP A 59 2.404 20.190 -30.425 1.00 0.00 C ATOM 899 OD1 ASP A 59 2.383 21.100 -29.572 1.00 0.00 O ATOM 900 OD2 ASP A 59 2.521 20.418 -31.649 1.00 0.00 O ATOM 0 H ASP A 59 1.141 16.296 -29.412 1.00 0.00 H new ATOM 0 HA ASP A 59 0.331 19.124 -29.117 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.845 18.623 -29.034 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.712 18.088 -30.698 1.00 0.00 H new ATOM 905 N LYS A 60 -0.207 19.309 -31.655 1.00 0.00 N ATOM 906 CA LYS A 60 -0.785 19.328 -32.986 1.00 0.00 C ATOM 907 C LYS A 60 0.185 18.726 -33.997 1.00 0.00 C ATOM 908 O LYS A 60 -0.211 17.977 -34.892 1.00 0.00 O ATOM 909 CB LYS A 60 -1.103 20.772 -33.383 1.00 0.00 C ATOM 910 CG LYS A 60 -2.089 21.467 -32.455 1.00 0.00 C ATOM 911 CD LYS A 60 -1.568 22.822 -31.991 1.00 0.00 C ATOM 912 CE LYS A 60 -0.342 22.675 -31.100 1.00 0.00 C ATOM 913 NZ LYS A 60 0.134 23.982 -30.573 1.00 0.00 N ATOM 0 H LYS A 60 -0.082 20.233 -31.241 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.700 18.736 -32.980 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.176 21.344 -33.405 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.506 20.779 -34.396 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.041 21.600 -32.969 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.281 20.835 -31.588 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.317 23.433 -32.858 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.353 23.348 -31.447 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.579 22.014 -30.266 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.460 22.200 -31.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.970 23.831 -29.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.386 24.605 -31.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.620 24.425 -30.011 1.00 0.00 H new ATOM 927 N GLU A 61 1.457 19.047 -33.833 1.00 0.00 N ATOM 928 CA GLU A 61 2.465 18.647 -34.797 1.00 0.00 C ATOM 929 C GLU A 61 2.877 17.190 -34.648 1.00 0.00 C ATOM 930 O GLU A 61 3.149 16.532 -35.652 1.00 0.00 O ATOM 931 CB GLU A 61 3.683 19.553 -34.708 1.00 0.00 C ATOM 932 CG GLU A 61 3.420 20.950 -35.230 1.00 0.00 C ATOM 933 CD GLU A 61 4.655 21.812 -35.196 1.00 0.00 C ATOM 934 OE1 GLU A 61 5.594 21.539 -35.973 1.00 0.00 O ATOM 935 OE2 GLU A 61 4.701 22.757 -34.378 1.00 0.00 O ATOM 0 H GLU A 61 1.815 19.583 -33.042 1.00 0.00 H new ATOM 0 HA GLU A 61 2.012 18.750 -35.783 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.008 19.614 -33.670 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.502 19.108 -35.273 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.049 20.890 -36.253 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.636 21.417 -34.634 1.00 0.00 H new ATOM 942 N ASP A 62 2.924 16.663 -33.425 1.00 0.00 N ATOM 943 CA ASP A 62 3.321 15.267 -33.261 1.00 0.00 C ATOM 944 C ASP A 62 2.226 14.340 -33.779 1.00 0.00 C ATOM 945 O ASP A 62 2.516 13.265 -34.313 1.00 0.00 O ATOM 946 CB ASP A 62 3.723 14.914 -31.817 1.00 0.00 C ATOM 947 CG ASP A 62 2.677 15.218 -30.761 1.00 0.00 C ATOM 948 OD1 ASP A 62 1.522 14.780 -30.904 1.00 0.00 O ATOM 949 OD2 ASP A 62 3.029 15.874 -29.763 1.00 0.00 O ATOM 0 H ASP A 62 2.701 17.160 -32.563 1.00 0.00 H new ATOM 0 HA ASP A 62 4.220 15.120 -33.860 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.962 13.851 -31.773 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.635 15.456 -31.568 1.00 0.00 H new ATOM 954 N LEU A 63 0.974 14.770 -33.655 1.00 0.00 N ATOM 955 CA LEU A 63 -0.139 14.051 -34.263 1.00 0.00 C ATOM 956 C LEU A 63 -0.003 14.052 -35.782 1.00 0.00 C ATOM 957 O LEU A 63 -0.110 13.008 -36.424 1.00 0.00 O ATOM 958 CB LEU A 63 -1.483 14.676 -33.871 1.00 0.00 C ATOM 959 CG LEU A 63 -1.842 14.605 -32.388 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.242 15.158 -32.165 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.738 13.175 -31.873 1.00 0.00 C ATOM 0 H LEU A 63 0.706 15.609 -33.141 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.112 13.025 -33.895 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.478 15.723 -34.174 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.271 14.183 -34.440 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.132 15.214 -31.828 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.490 15.104 -31.105 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.280 16.197 -32.494 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.961 14.570 -32.736 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.998 13.150 -30.815 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.423 12.537 -32.431 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.718 12.814 -32.005 1.00 0.00 H new ATOM 973 N ALA A 64 0.246 15.228 -36.346 1.00 0.00 N ATOM 974 CA ALA A 64 0.392 15.375 -37.792 1.00 0.00 C ATOM 975 C ALA A 64 1.591 14.583 -38.313 1.00 0.00 C ATOM 976 O ALA A 64 1.532 13.976 -39.387 1.00 0.00 O ATOM 977 CB ALA A 64 0.525 16.846 -38.156 1.00 0.00 C ATOM 0 H ALA A 64 0.352 16.097 -35.823 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.502 14.972 -38.267 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.633 16.945 -39.236 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.365 17.383 -37.830 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.402 17.265 -37.663 1.00 0.00 H new ATOM 983 N GLU A 65 2.674 14.588 -37.547 1.00 0.00 N ATOM 984 CA GLU A 65 3.877 13.861 -37.916 1.00 0.00 C ATOM 985 C GLU A 65 3.616 12.356 -37.893 1.00 0.00 C ATOM 986 O GLU A 65 3.922 11.647 -38.853 1.00 0.00 O ATOM 987 CB GLU A 65 5.022 14.230 -36.971 1.00 0.00 C ATOM 988 CG GLU A 65 6.354 13.617 -37.356 1.00 0.00 C ATOM 989 CD GLU A 65 7.493 14.124 -36.500 1.00 0.00 C ATOM 990 OE1 GLU A 65 7.662 13.626 -35.370 1.00 0.00 O ATOM 991 OE2 GLU A 65 8.231 15.026 -36.957 1.00 0.00 O ATOM 0 H GLU A 65 2.742 15.091 -36.662 1.00 0.00 H new ATOM 0 HA GLU A 65 4.163 14.140 -38.930 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.125 15.315 -36.946 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.764 13.911 -35.961 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.291 12.533 -37.266 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.564 13.839 -38.402 1.00 0.00 H new ATOM 998 N TYR A 66 3.020 11.877 -36.805 1.00 0.00 N ATOM 999 CA TYR A 66 2.679 10.465 -36.686 1.00 0.00 C ATOM 1000 C TYR A 66 1.668 10.054 -37.759 1.00 0.00 C ATOM 1001 O TYR A 66 1.723 8.938 -38.286 1.00 0.00 O ATOM 1002 CB TYR A 66 2.127 10.165 -35.292 1.00 0.00 C ATOM 1003 CG TYR A 66 1.621 8.750 -35.144 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.498 7.692 -34.946 1.00 0.00 C ATOM 1005 CD2 TYR A 66 0.264 8.472 -35.225 1.00 0.00 C ATOM 1006 CE1 TYR A 66 2.033 6.396 -34.833 1.00 0.00 C ATOM 1007 CE2 TYR A 66 -0.206 7.182 -35.107 1.00 0.00 C ATOM 1008 CZ TYR A 66 0.680 6.150 -34.913 1.00 0.00 C ATOM 1009 OH TYR A 66 0.211 4.866 -34.811 1.00 0.00 O ATOM 0 H TYR A 66 2.764 12.444 -35.997 1.00 0.00 H new ATOM 0 HA TYR A 66 3.588 9.883 -36.835 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.908 10.344 -34.553 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.316 10.859 -35.073 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.559 7.885 -34.879 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.435 9.280 -35.383 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.726 5.581 -34.683 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.266 6.983 -35.167 1.00 0.00 H new ATOM 0 HH TYR A 66 0.096 4.634 -33.866 1.00 0.00 H new ATOM 1019 N TYR A 67 0.749 10.961 -38.069 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.222 10.761 -39.143 1.00 0.00 C ATOM 1021 C TYR A 67 0.481 10.370 -40.439 1.00 0.00 C ATOM 1022 O TYR A 67 0.032 9.473 -41.157 1.00 0.00 O ATOM 1023 CB TYR A 67 -1.050 12.042 -39.335 1.00 0.00 C ATOM 1024 CG TYR A 67 -1.537 12.283 -40.751 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -2.612 11.575 -41.276 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -0.921 13.231 -41.559 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -3.054 11.804 -42.565 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -1.356 13.465 -42.847 1.00 0.00 C ATOM 1029 CZ TYR A 67 -2.424 12.751 -43.347 1.00 0.00 C ATOM 1030 OH TYR A 67 -2.863 12.987 -44.631 1.00 0.00 O ATOM 0 H TYR A 67 0.654 11.854 -37.586 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.892 9.946 -38.869 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.914 12.001 -38.672 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.448 12.896 -39.023 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.109 10.835 -40.667 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.086 13.795 -41.171 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.889 11.244 -42.959 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.862 14.204 -43.461 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.311 13.684 -45.042 1.00 0.00 H new ATOM 1040 N GLU A 68 1.588 11.037 -40.717 1.00 0.00 N ATOM 1041 CA GLU A 68 2.358 10.777 -41.924 1.00 0.00 C ATOM 1042 C GLU A 68 3.148 9.478 -41.788 1.00 0.00 C ATOM 1043 O GLU A 68 3.298 8.722 -42.751 1.00 0.00 O ATOM 1044 CB GLU A 68 3.305 11.946 -42.189 1.00 0.00 C ATOM 1045 CG GLU A 68 4.063 11.842 -43.501 1.00 0.00 C ATOM 1046 CD GLU A 68 5.151 12.886 -43.617 1.00 0.00 C ATOM 1047 OE1 GLU A 68 4.833 14.093 -43.564 1.00 0.00 O ATOM 1048 OE2 GLU A 68 6.334 12.501 -43.746 1.00 0.00 O ATOM 0 H GLU A 68 1.976 11.767 -40.120 1.00 0.00 H new ATOM 0 HA GLU A 68 1.672 10.672 -42.764 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.731 12.873 -42.185 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.022 12.012 -41.371 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.504 10.849 -43.586 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.366 11.953 -44.331 1.00 0.00 H new ATOM 1055 N GLU A 69 3.663 9.232 -40.590 1.00 0.00 N ATOM 1056 CA GLU A 69 4.420 8.015 -40.305 1.00 0.00 C ATOM 1057 C GLU A 69 3.563 6.770 -40.530 1.00 0.00 C ATOM 1058 O GLU A 69 3.936 5.876 -41.287 1.00 0.00 O ATOM 1059 CB GLU A 69 4.930 8.029 -38.861 1.00 0.00 C ATOM 1060 CG GLU A 69 5.991 9.083 -38.587 1.00 0.00 C ATOM 1061 CD GLU A 69 7.282 8.823 -39.334 1.00 0.00 C ATOM 1062 OE1 GLU A 69 8.056 7.940 -38.908 1.00 0.00 O ATOM 1063 OE2 GLU A 69 7.541 9.500 -40.352 1.00 0.00 O ATOM 0 H GLU A 69 3.570 9.863 -39.794 1.00 0.00 H new ATOM 0 HA GLU A 69 5.269 7.984 -40.988 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.087 8.195 -38.191 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.338 7.047 -38.622 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.605 10.063 -38.868 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.196 9.116 -37.517 1.00 0.00 H new ATOM 1070 N ALA A 70 2.409 6.731 -39.878 1.00 0.00 N ATOM 1071 CA ALA A 70 1.529 5.570 -39.943 1.00 0.00 C ATOM 1072 C ALA A 70 0.720 5.539 -41.238 1.00 0.00 C ATOM 1073 O ALA A 70 0.254 4.481 -41.662 1.00 0.00 O ATOM 1074 CB ALA A 70 0.602 5.550 -38.737 1.00 0.00 C ATOM 0 H ALA A 70 2.059 7.492 -39.296 1.00 0.00 H new ATOM 0 HA ALA A 70 2.155 4.678 -39.931 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.051 4.679 -38.795 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.194 5.499 -37.823 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.002 6.457 -38.728 1.00 0.00 H new ATOM 1080 N GLY A 71 0.548 6.702 -41.858 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.244 6.779 -43.071 1.00 0.00 C ATOM 1082 C GLY A 71 -1.718 6.703 -42.752 1.00 0.00 C ATOM 1083 O GLY A 71 -2.450 5.893 -43.317 1.00 0.00 O ATOM 0 H GLY A 71 0.941 7.589 -41.543 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.028 7.711 -43.594 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.030 5.965 -43.743 1.00 0.00 H new