USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=20 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 -94:sc= 0.919 USER MOD Set 1.2: A 27 CYS SG : rot -169:sc= -0.0242 USER MOD Set 1.3: A 47 CYS SG : rot -173:sc= 0.325 USER MOD Set 1.4: A 50 CYS SG : rot -148:sc= -0.364 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.492 K(o=0.49,f=-0.33) USER MOD Set 2.2: A 20 MET CE :methyl -127:sc= 0 (180deg=-0.0272) USER MOD Single : A 3 THR OG1 : rot 121:sc= 1.11 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -112:sc= -0.904 (180deg=-2.5) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 1.06 K(o=1.1,f=-0.021) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.104 F(o=-1.5!,f=-0.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 144:sc= -0.287 (180deg=-1.51) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= 0.833 (180deg=0.699) USER MOD Single : A 49 SER OG : rot 160:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -154:sc= -0.258 (180deg=-1.06) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 -9.103 10.575 -15.028 1.00 0.00 N ATOM 30 CA THR A 3 -7.716 10.276 -15.315 1.00 0.00 C ATOM 31 C THR A 3 -6.809 10.701 -14.164 1.00 0.00 C ATOM 32 O THR A 3 -6.663 11.889 -13.875 1.00 0.00 O ATOM 33 CB THR A 3 -7.292 10.974 -16.609 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.871 12.284 -16.656 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.735 10.175 -17.823 1.00 0.00 C ATOM 0 HA THR A 3 -7.617 9.197 -15.438 1.00 0.00 H new ATOM 0 HB THR A 3 -6.205 11.050 -16.624 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.159 12.954 -16.727 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.423 10.690 -18.731 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.280 9.185 -17.793 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.820 10.076 -17.817 1.00 0.00 H new ATOM 43 N TYR A 4 -6.221 9.719 -13.494 1.00 0.00 N ATOM 44 CA TYR A 4 -5.332 9.984 -12.369 1.00 0.00 C ATOM 45 C TYR A 4 -3.905 10.236 -12.848 1.00 0.00 C ATOM 46 O TYR A 4 -3.109 10.878 -12.159 1.00 0.00 O ATOM 47 CB TYR A 4 -5.350 8.809 -11.387 1.00 0.00 C ATOM 48 CG TYR A 4 -6.634 8.683 -10.589 1.00 0.00 C ATOM 49 CD1 TYR A 4 -7.818 8.272 -11.188 1.00 0.00 C ATOM 50 CD2 TYR A 4 -6.652 8.962 -9.228 1.00 0.00 C ATOM 51 CE1 TYR A 4 -8.984 8.142 -10.455 1.00 0.00 C ATOM 52 CE2 TYR A 4 -7.814 8.838 -8.488 1.00 0.00 C ATOM 53 CZ TYR A 4 -8.976 8.427 -9.106 1.00 0.00 C ATOM 54 OH TYR A 4 -10.131 8.289 -8.368 1.00 0.00 O ATOM 0 H TYR A 4 -6.343 8.730 -13.710 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.690 10.880 -11.862 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.188 7.885 -11.941 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.515 8.916 -10.695 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.828 8.050 -12.245 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.743 9.281 -8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.895 7.819 -10.937 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.811 9.062 -7.431 1.00 0.00 H new ATOM 0 HH TYR A 4 -9.953 8.529 -7.435 1.00 0.00 H new ATOM 64 N ASP A 5 -3.590 9.730 -14.030 1.00 0.00 N ATOM 65 CA ASP A 5 -2.253 9.871 -14.590 1.00 0.00 C ATOM 66 C ASP A 5 -2.301 10.627 -15.909 1.00 0.00 C ATOM 67 O ASP A 5 -3.258 10.497 -16.677 1.00 0.00 O ATOM 68 CB ASP A 5 -1.598 8.499 -14.798 1.00 0.00 C ATOM 69 CG ASP A 5 -1.121 7.863 -13.505 1.00 0.00 C ATOM 70 OD1 ASP A 5 -1.967 7.410 -12.704 1.00 0.00 O ATOM 71 OD2 ASP A 5 0.108 7.809 -13.289 1.00 0.00 O ATOM 0 H ASP A 5 -4.243 9.217 -14.622 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.652 10.439 -13.879 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.312 7.832 -15.282 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.752 8.606 -15.477 1.00 0.00 H new ATOM 76 N GLU A 6 -1.269 11.417 -16.162 1.00 0.00 N ATOM 77 CA GLU A 6 -1.172 12.187 -17.393 1.00 0.00 C ATOM 78 C GLU A 6 0.267 12.174 -17.896 1.00 0.00 C ATOM 79 O GLU A 6 1.148 12.801 -17.302 1.00 0.00 O ATOM 80 CB GLU A 6 -1.647 13.623 -17.148 1.00 0.00 C ATOM 81 CG GLU A 6 -1.696 14.483 -18.401 1.00 0.00 C ATOM 82 CD GLU A 6 -2.322 15.843 -18.151 1.00 0.00 C ATOM 83 OE1 GLU A 6 -3.564 15.960 -18.232 1.00 0.00 O ATOM 84 OE2 GLU A 6 -1.576 16.803 -17.871 1.00 0.00 O ATOM 0 H GLU A 6 -0.481 11.542 -15.526 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.810 11.737 -18.154 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.641 13.594 -16.701 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.984 14.095 -16.422 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.685 14.618 -18.785 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.263 13.962 -19.173 1.00 0.00 H new ATOM 91 N ILE A 7 0.506 11.451 -18.978 1.00 0.00 N ATOM 92 CA ILE A 7 1.857 11.297 -19.510 1.00 0.00 C ATOM 93 C ILE A 7 1.976 12.031 -20.838 1.00 0.00 C ATOM 94 O ILE A 7 0.968 12.335 -21.469 1.00 0.00 O ATOM 95 CB ILE A 7 2.241 9.807 -19.730 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.697 8.909 -18.613 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.752 9.650 -19.820 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.312 8.363 -18.894 1.00 0.00 C ATOM 0 H ILE A 7 -0.215 10.961 -19.507 1.00 0.00 H new ATOM 0 HA ILE A 7 2.539 11.719 -18.772 1.00 0.00 H new ATOM 0 HB ILE A 7 1.788 9.494 -20.671 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.383 8.076 -18.462 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.673 9.475 -17.682 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.000 8.600 -19.974 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.130 10.239 -20.656 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.210 9.999 -18.894 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.008 7.737 -18.061 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.387 9.190 -19.016 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.334 7.769 -19.807 1.00 0.00 H new ATOM 110 N GLU A 8 3.199 12.323 -21.257 1.00 0.00 N ATOM 111 CA GLU A 8 3.417 12.973 -22.539 1.00 0.00 C ATOM 112 C GLU A 8 3.322 11.950 -23.668 1.00 0.00 C ATOM 113 O GLU A 8 3.658 10.777 -23.484 1.00 0.00 O ATOM 114 CB GLU A 8 4.775 13.686 -22.584 1.00 0.00 C ATOM 115 CG GLU A 8 4.900 14.864 -21.623 1.00 0.00 C ATOM 116 CD GLU A 8 5.076 14.436 -20.180 1.00 0.00 C ATOM 117 OE1 GLU A 8 6.148 13.890 -19.854 1.00 0.00 O ATOM 118 OE2 GLU A 8 4.148 14.646 -19.368 1.00 0.00 O ATOM 0 H GLU A 8 4.050 12.121 -20.731 1.00 0.00 H new ATOM 0 HA GLU A 8 2.640 13.726 -22.669 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.559 12.963 -22.358 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.952 14.041 -23.599 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.750 15.479 -21.920 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.010 15.488 -21.705 1.00 0.00 H new ATOM 125 N ILE A 9 2.868 12.409 -24.831 1.00 0.00 N ATOM 126 CA ILE A 9 2.643 11.545 -25.991 1.00 0.00 C ATOM 127 C ILE A 9 3.917 10.807 -26.417 1.00 0.00 C ATOM 128 O ILE A 9 3.858 9.688 -26.927 1.00 0.00 O ATOM 129 CB ILE A 9 2.080 12.364 -27.182 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.739 11.452 -28.362 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.068 13.442 -27.618 1.00 0.00 C ATOM 132 CD1 ILE A 9 1.021 12.160 -29.491 1.00 0.00 C ATOM 0 H ILE A 9 2.645 13.390 -24.998 1.00 0.00 H new ATOM 0 HA ILE A 9 1.910 10.795 -25.693 1.00 0.00 H new ATOM 0 HB ILE A 9 1.164 12.850 -26.846 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.659 11.012 -28.748 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.117 10.630 -28.007 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.650 14.002 -28.454 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.257 14.120 -26.786 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.004 12.975 -27.926 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.812 11.450 -30.291 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.084 12.576 -29.122 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.649 12.964 -29.874 1.00 0.00 H new ATOM 144 N GLU A 10 5.058 11.432 -26.175 1.00 0.00 N ATOM 145 CA GLU A 10 6.351 10.879 -26.563 1.00 0.00 C ATOM 146 C GLU A 10 6.705 9.627 -25.758 1.00 0.00 C ATOM 147 O GLU A 10 7.451 8.771 -26.232 1.00 0.00 O ATOM 148 CB GLU A 10 7.445 11.934 -26.392 1.00 0.00 C ATOM 149 CG GLU A 10 7.483 12.549 -25.004 1.00 0.00 C ATOM 150 CD GLU A 10 8.709 13.404 -24.782 1.00 0.00 C ATOM 151 OE1 GLU A 10 8.685 14.595 -25.156 1.00 0.00 O ATOM 152 OE2 GLU A 10 9.701 12.883 -24.230 1.00 0.00 O ATOM 0 H GLU A 10 5.117 12.335 -25.705 1.00 0.00 H new ATOM 0 HA GLU A 10 6.281 10.588 -27.611 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.413 11.480 -26.606 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.294 12.725 -27.127 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.590 13.155 -24.854 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.458 11.755 -24.258 1.00 0.00 H new ATOM 159 N ASP A 11 6.187 9.532 -24.537 1.00 0.00 N ATOM 160 CA ASP A 11 6.541 8.427 -23.649 1.00 0.00 C ATOM 161 C ASP A 11 5.824 7.148 -24.061 1.00 0.00 C ATOM 162 O ASP A 11 6.402 6.059 -24.020 1.00 0.00 O ATOM 163 CB ASP A 11 6.207 8.770 -22.196 1.00 0.00 C ATOM 164 CG ASP A 11 6.765 7.756 -21.215 1.00 0.00 C ATOM 165 OD1 ASP A 11 7.985 7.798 -20.940 1.00 0.00 O ATOM 166 OD2 ASP A 11 5.993 6.914 -20.713 1.00 0.00 O ATOM 0 H ASP A 11 5.526 10.200 -24.141 1.00 0.00 H new ATOM 0 HA ASP A 11 7.616 8.265 -23.732 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.605 9.757 -21.959 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.125 8.826 -22.079 1.00 0.00 H new ATOM 171 N MET A 12 4.563 7.281 -24.461 1.00 0.00 N ATOM 172 CA MET A 12 3.778 6.135 -24.907 1.00 0.00 C ATOM 173 C MET A 12 4.368 5.523 -26.175 1.00 0.00 C ATOM 174 O MET A 12 5.088 6.183 -26.925 1.00 0.00 O ATOM 175 CB MET A 12 2.321 6.537 -25.150 1.00 0.00 C ATOM 176 CG MET A 12 1.575 6.920 -23.880 1.00 0.00 C ATOM 177 SD MET A 12 -0.163 7.305 -24.176 1.00 0.00 S ATOM 178 CE MET A 12 -0.732 5.776 -24.914 1.00 0.00 C ATOM 0 H MET A 12 4.063 8.170 -24.485 1.00 0.00 H new ATOM 0 HA MET A 12 3.809 5.386 -24.116 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.296 7.377 -25.844 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.800 5.710 -25.632 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.644 6.102 -23.163 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.061 7.783 -23.425 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.980 5.948 -25.961 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.054 5.024 -24.846 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.617 5.424 -24.385 1.00 0.00 H new ATOM 188 N THR A 13 4.058 4.257 -26.408 1.00 0.00 N ATOM 189 CA THR A 13 4.599 3.538 -27.546 1.00 0.00 C ATOM 190 C THR A 13 3.680 3.683 -28.755 1.00 0.00 C ATOM 191 O THR A 13 2.574 3.138 -28.779 1.00 0.00 O ATOM 192 CB THR A 13 4.767 2.045 -27.213 1.00 0.00 C ATOM 193 OG1 THR A 13 5.355 1.900 -25.912 1.00 0.00 O ATOM 194 CG2 THR A 13 5.645 1.355 -28.246 1.00 0.00 C ATOM 0 H THR A 13 3.432 3.706 -25.820 1.00 0.00 H new ATOM 0 HA THR A 13 5.574 3.965 -27.780 1.00 0.00 H new ATOM 0 HB THR A 13 3.782 1.579 -27.225 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.458 0.948 -25.704 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.749 0.301 -27.989 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.187 1.445 -29.231 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.629 1.824 -28.259 1.00 0.00 H new ATOM 202 N PHE A 14 4.133 4.438 -29.744 1.00 0.00 N ATOM 203 CA PHE A 14 3.360 4.632 -30.961 1.00 0.00 C ATOM 204 C PHE A 14 3.502 3.423 -31.871 1.00 0.00 C ATOM 205 O PHE A 14 4.601 2.903 -32.063 1.00 0.00 O ATOM 206 CB PHE A 14 3.794 5.911 -31.698 1.00 0.00 C ATOM 207 CG PHE A 14 5.235 5.932 -32.144 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.246 6.283 -31.261 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.576 5.611 -33.452 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.566 6.310 -31.673 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.895 5.637 -33.866 1.00 0.00 C ATOM 212 CZ PHE A 14 7.890 5.986 -32.976 1.00 0.00 C ATOM 0 H PHE A 14 5.029 4.925 -29.728 1.00 0.00 H new ATOM 0 HA PHE A 14 2.312 4.745 -30.682 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.157 6.042 -32.573 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.619 6.766 -31.045 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.000 6.538 -30.241 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.802 5.338 -34.154 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.344 6.585 -30.976 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.146 5.384 -34.885 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.921 6.006 -33.298 1.00 0.00 H new ATOM 222 N GLU A 15 2.388 2.965 -32.410 1.00 0.00 N ATOM 223 CA GLU A 15 2.404 1.849 -33.335 1.00 0.00 C ATOM 224 C GLU A 15 1.886 2.288 -34.697 1.00 0.00 C ATOM 225 O GLU A 15 0.674 2.360 -34.918 1.00 0.00 O ATOM 226 CB GLU A 15 1.580 0.675 -32.790 1.00 0.00 C ATOM 227 CG GLU A 15 1.576 -0.548 -33.698 1.00 0.00 C ATOM 228 CD GLU A 15 2.975 -1.012 -34.054 1.00 0.00 C ATOM 229 OE1 GLU A 15 3.529 -0.523 -35.060 1.00 0.00 O ATOM 230 OE2 GLU A 15 3.525 -1.869 -33.326 1.00 0.00 O ATOM 0 H GLU A 15 1.461 3.348 -32.223 1.00 0.00 H new ATOM 0 HA GLU A 15 3.433 1.509 -33.449 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.973 0.390 -31.814 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.553 1.005 -32.636 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.042 -1.360 -33.205 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.030 -0.316 -34.612 1.00 0.00 H new ATOM 237 N PRO A 16 2.807 2.603 -35.625 1.00 0.00 N ATOM 238 CA PRO A 16 2.458 3.040 -36.978 1.00 0.00 C ATOM 239 C PRO A 16 1.679 1.976 -37.736 1.00 0.00 C ATOM 240 O PRO A 16 0.843 2.291 -38.578 1.00 0.00 O ATOM 241 CB PRO A 16 3.814 3.296 -37.649 1.00 0.00 C ATOM 242 CG PRO A 16 4.804 2.542 -36.828 1.00 0.00 C ATOM 243 CD PRO A 16 4.268 2.556 -35.426 1.00 0.00 C ATOM 0 HA PRO A 16 1.813 3.919 -36.966 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.814 2.949 -38.682 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.049 4.360 -37.670 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.918 1.521 -37.193 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.788 3.009 -36.875 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.570 1.668 -34.870 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.626 3.420 -34.866 1.00 0.00 H new ATOM 251 N GLU A 17 1.938 0.715 -37.408 1.00 0.00 N ATOM 252 CA GLU A 17 1.280 -0.403 -38.074 1.00 0.00 C ATOM 253 C GLU A 17 -0.200 -0.477 -37.706 1.00 0.00 C ATOM 254 O GLU A 17 -1.003 -1.032 -38.453 1.00 0.00 O ATOM 255 CB GLU A 17 1.969 -1.719 -37.709 1.00 0.00 C ATOM 256 CG GLU A 17 3.429 -1.781 -38.130 1.00 0.00 C ATOM 257 CD GLU A 17 4.077 -3.100 -37.775 1.00 0.00 C ATOM 258 OE1 GLU A 17 3.860 -4.090 -38.508 1.00 0.00 O ATOM 259 OE2 GLU A 17 4.803 -3.164 -36.761 1.00 0.00 O ATOM 0 H GLU A 17 2.601 0.441 -36.683 1.00 0.00 H new ATOM 0 HA GLU A 17 1.358 -0.240 -39.149 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.904 -1.866 -36.631 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.430 -2.543 -38.176 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.501 -1.622 -39.206 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.977 -0.970 -37.651 1.00 0.00 H new ATOM 266 N ASN A 18 -0.559 0.089 -36.558 1.00 0.00 N ATOM 267 CA ASN A 18 -1.944 0.077 -36.100 1.00 0.00 C ATOM 268 C ASN A 18 -2.542 1.483 -36.205 1.00 0.00 C ATOM 269 O ASN A 18 -3.753 1.670 -36.085 1.00 0.00 O ATOM 270 CB ASN A 18 -2.001 -0.427 -34.654 1.00 0.00 C ATOM 271 CG ASN A 18 -3.324 -1.084 -34.287 1.00 0.00 C ATOM 272 OD1 ASN A 18 -3.358 -2.003 -33.469 1.00 0.00 O ATOM 273 ND2 ASN A 18 -4.415 -0.616 -34.870 1.00 0.00 N ATOM 0 H ASN A 18 0.089 0.561 -35.928 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.529 -0.593 -36.730 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.194 -1.142 -34.496 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.822 0.410 -33.979 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.325 -1.018 -34.646 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.346 0.147 -35.543 1.00 0.00 H new ATOM 280 N GLN A 19 -1.665 2.461 -36.442 1.00 0.00 N ATOM 281 CA GLN A 19 -2.045 3.868 -36.605 1.00 0.00 C ATOM 282 C GLN A 19 -2.518 4.480 -35.291 1.00 0.00 C ATOM 283 O GLN A 19 -3.399 5.342 -35.292 1.00 0.00 O ATOM 284 CB GLN A 19 -3.143 4.065 -37.664 1.00 0.00 C ATOM 285 CG GLN A 19 -2.720 3.829 -39.107 1.00 0.00 C ATOM 286 CD GLN A 19 -2.805 2.376 -39.526 1.00 0.00 C ATOM 287 OE1 GLN A 19 -3.864 1.902 -39.935 1.00 0.00 O ATOM 288 NE2 GLN A 19 -1.690 1.671 -39.473 1.00 0.00 N ATOM 0 H GLN A 19 -0.662 2.298 -36.527 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.141 4.376 -36.941 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.970 3.393 -37.433 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.526 5.082 -37.579 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.350 4.427 -39.765 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.696 4.179 -39.240 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.831 2.100 -39.127 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.687 0.698 -39.778 1.00 0.00 H new ATOM 297 N MET A 20 -1.921 4.071 -34.176 1.00 0.00 N ATOM 298 CA MET A 20 -2.347 4.582 -32.876 1.00 0.00 C ATOM 299 C MET A 20 -1.249 4.435 -31.828 1.00 0.00 C ATOM 300 O MET A 20 -0.195 3.851 -32.089 1.00 0.00 O ATOM 301 CB MET A 20 -3.614 3.867 -32.400 1.00 0.00 C ATOM 302 CG MET A 20 -3.414 2.386 -32.117 1.00 0.00 C ATOM 303 SD MET A 20 -4.871 1.612 -31.389 1.00 0.00 S ATOM 304 CE MET A 20 -4.255 -0.044 -31.117 1.00 0.00 C ATOM 0 H MET A 20 -1.154 3.399 -34.144 1.00 0.00 H new ATOM 0 HA MET A 20 -2.561 5.643 -33.001 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.977 4.354 -31.495 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.390 3.981 -33.157 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.162 1.874 -33.046 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.566 2.261 -31.443 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.934 -0.764 -31.573 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.267 -0.143 -31.566 1.00 0.00 H new ATOM 0 HE3 MET A 20 -4.188 -0.236 -30.046 1.00 0.00 H new ATOM 314 N PHE A 21 -1.507 4.972 -30.643 1.00 0.00 N ATOM 315 CA PHE A 21 -0.563 4.903 -29.540 1.00 0.00 C ATOM 316 C PHE A 21 -1.028 3.886 -28.507 1.00 0.00 C ATOM 317 O PHE A 21 -2.220 3.778 -28.217 1.00 0.00 O ATOM 318 CB PHE A 21 -0.407 6.274 -28.872 1.00 0.00 C ATOM 319 CG PHE A 21 0.394 7.260 -29.672 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.146 7.878 -30.790 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.691 7.572 -29.299 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.595 8.785 -31.521 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.436 8.478 -30.026 1.00 0.00 C ATOM 324 CZ PHE A 21 1.888 9.085 -31.139 1.00 0.00 C ATOM 0 H PHE A 21 -2.372 5.465 -30.422 1.00 0.00 H new ATOM 0 HA PHE A 21 0.402 4.593 -29.942 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.397 6.691 -28.688 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.068 6.140 -27.900 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.157 7.647 -31.092 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.124 7.101 -28.429 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.164 9.259 -32.390 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.446 8.712 -29.725 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.470 9.793 -31.710 1.00 0.00 H new ATOM 334 N THR A 22 -0.081 3.139 -27.966 1.00 0.00 N ATOM 335 CA THR A 22 -0.374 2.161 -26.933 1.00 0.00 C ATOM 336 C THR A 22 0.608 2.315 -25.780 1.00 0.00 C ATOM 337 O THR A 22 1.647 2.959 -25.925 1.00 0.00 O ATOM 338 CB THR A 22 -0.314 0.717 -27.485 1.00 0.00 C ATOM 339 OG1 THR A 22 0.952 0.478 -28.114 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.428 0.468 -28.490 1.00 0.00 C ATOM 0 H THR A 22 0.904 3.192 -28.227 1.00 0.00 H new ATOM 0 HA THR A 22 -1.388 2.343 -26.577 1.00 0.00 H new ATOM 0 HB THR A 22 -0.440 0.035 -26.644 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.978 -0.439 -28.458 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.361 -0.555 -28.861 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.394 0.616 -28.007 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.329 1.164 -29.323 1.00 0.00 H new ATOM 348 N TYR A 23 0.273 1.751 -24.636 1.00 0.00 N ATOM 349 CA TYR A 23 1.154 1.804 -23.485 1.00 0.00 C ATOM 350 C TYR A 23 1.194 0.439 -22.816 1.00 0.00 C ATOM 351 O TYR A 23 0.163 -0.074 -22.384 1.00 0.00 O ATOM 352 CB TYR A 23 0.694 2.879 -22.494 1.00 0.00 C ATOM 353 CG TYR A 23 1.710 3.202 -21.416 1.00 0.00 C ATOM 354 CD1 TYR A 23 2.746 4.093 -21.663 1.00 0.00 C ATOM 355 CD2 TYR A 23 1.631 2.622 -20.155 1.00 0.00 C ATOM 356 CE1 TYR A 23 3.674 4.398 -20.687 1.00 0.00 C ATOM 357 CE2 TYR A 23 2.558 2.923 -19.172 1.00 0.00 C ATOM 358 CZ TYR A 23 3.577 3.811 -19.443 1.00 0.00 C ATOM 359 OH TYR A 23 4.507 4.107 -18.469 1.00 0.00 O ATOM 0 H TYR A 23 -0.602 1.251 -24.478 1.00 0.00 H new ATOM 0 HA TYR A 23 2.157 2.069 -23.819 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.462 3.791 -23.045 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.231 2.549 -22.020 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.827 4.556 -22.636 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.834 1.926 -19.939 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.473 5.094 -20.897 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.483 2.464 -18.197 1.00 0.00 H new ATOM 0 HH TYR A 23 4.294 3.610 -17.651 1.00 0.00 H new ATOM 369 N PRO A 24 2.385 -0.175 -22.766 1.00 0.00 N ATOM 370 CA PRO A 24 2.587 -1.488 -22.144 1.00 0.00 C ATOM 371 C PRO A 24 2.108 -1.536 -20.693 1.00 0.00 C ATOM 372 O PRO A 24 2.604 -0.801 -19.831 1.00 0.00 O ATOM 373 CB PRO A 24 4.102 -1.692 -22.212 1.00 0.00 C ATOM 374 CG PRO A 24 4.553 -0.826 -23.335 1.00 0.00 C ATOM 375 CD PRO A 24 3.631 0.361 -23.340 1.00 0.00 C ATOM 0 HA PRO A 24 2.015 -2.263 -22.654 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.582 -1.407 -21.276 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.353 -2.737 -22.393 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.588 -0.515 -23.196 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.505 -1.361 -24.284 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.029 1.182 -22.743 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.476 0.746 -24.348 1.00 0.00 H new ATOM 383 N CYS A 25 1.138 -2.401 -20.446 1.00 0.00 N ATOM 384 CA CYS A 25 0.566 -2.584 -19.125 1.00 0.00 C ATOM 385 C CYS A 25 0.369 -4.069 -18.856 1.00 0.00 C ATOM 386 O CYS A 25 0.037 -4.830 -19.768 1.00 0.00 O ATOM 387 CB CYS A 25 -0.772 -1.841 -19.037 1.00 0.00 C ATOM 388 SG CYS A 25 -1.785 -2.220 -17.566 1.00 0.00 S ATOM 0 H CYS A 25 0.724 -2.999 -21.161 1.00 0.00 H new ATOM 0 HA CYS A 25 1.242 -2.178 -18.373 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.575 -0.769 -19.054 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.356 -2.072 -19.928 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.627 -3.169 -17.851 1.00 0.00 H new ATOM 393 N PRO A 26 0.638 -4.521 -17.628 1.00 0.00 N ATOM 394 CA PRO A 26 0.368 -5.886 -17.243 1.00 0.00 C ATOM 395 C PRO A 26 -1.030 -6.046 -16.646 1.00 0.00 C ATOM 396 O PRO A 26 -1.340 -5.487 -15.592 1.00 0.00 O ATOM 397 CB PRO A 26 1.448 -6.157 -16.196 1.00 0.00 C ATOM 398 CG PRO A 26 1.786 -4.818 -15.604 1.00 0.00 C ATOM 399 CD PRO A 26 1.245 -3.755 -16.534 1.00 0.00 C ATOM 0 HA PRO A 26 0.390 -6.577 -18.086 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.087 -6.844 -15.430 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.326 -6.617 -16.649 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.347 -4.717 -14.611 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.865 -4.712 -15.488 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.512 -3.122 -16.034 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.037 -3.100 -16.896 1.00 0.00 H new ATOM 407 N CYS A 27 -1.839 -6.862 -17.301 1.00 0.00 N ATOM 408 CA CYS A 27 -3.216 -7.109 -16.887 1.00 0.00 C ATOM 409 C CYS A 27 -3.854 -8.082 -17.866 1.00 0.00 C ATOM 410 O CYS A 27 -4.582 -9.001 -17.483 1.00 0.00 O ATOM 411 CB CYS A 27 -4.023 -5.803 -16.857 1.00 0.00 C ATOM 412 SG CYS A 27 -4.214 -5.006 -18.488 1.00 0.00 S ATOM 0 H CYS A 27 -1.561 -7.375 -18.138 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.215 -7.530 -15.881 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.012 -6.009 -16.447 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.536 -5.103 -16.178 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.693 -3.807 -18.332 1.00 0.00 H new ATOM 417 N GLY A 28 -3.555 -7.859 -19.137 1.00 0.00 N ATOM 418 CA GLY A 28 -4.058 -8.698 -20.195 1.00 0.00 C ATOM 419 C GLY A 28 -3.995 -7.995 -21.535 1.00 0.00 C ATOM 420 O GLY A 28 -3.906 -8.640 -22.580 1.00 0.00 O ATOM 0 H GLY A 28 -2.960 -7.094 -19.455 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.477 -9.619 -20.238 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.088 -8.981 -19.979 1.00 0.00 H new ATOM 424 N ASP A 29 -4.038 -6.670 -21.503 1.00 0.00 N ATOM 425 CA ASP A 29 -4.009 -5.867 -22.718 1.00 0.00 C ATOM 426 C ASP A 29 -3.192 -4.602 -22.475 1.00 0.00 C ATOM 427 O ASP A 29 -2.718 -4.380 -21.367 1.00 0.00 O ATOM 428 CB ASP A 29 -5.428 -5.511 -23.158 1.00 0.00 C ATOM 429 CG ASP A 29 -5.557 -5.330 -24.663 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.845 -4.480 -25.239 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.378 -6.049 -25.278 1.00 0.00 O ATOM 0 H ASP A 29 -4.093 -6.125 -20.642 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.542 -6.445 -23.516 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.111 -6.296 -22.832 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.737 -4.592 -22.659 1.00 0.00 H new ATOM 436 N ARG A 30 -2.987 -3.808 -23.515 1.00 0.00 N ATOM 437 CA ARG A 30 -2.238 -2.567 -23.395 1.00 0.00 C ATOM 438 C ARG A 30 -3.149 -1.354 -23.576 1.00 0.00 C ATOM 439 O ARG A 30 -4.184 -1.445 -24.245 1.00 0.00 O ATOM 440 CB ARG A 30 -1.078 -2.533 -24.408 1.00 0.00 C ATOM 441 CG ARG A 30 -1.357 -3.217 -25.750 1.00 0.00 C ATOM 442 CD ARG A 30 -2.497 -2.565 -26.526 1.00 0.00 C ATOM 443 NE ARG A 30 -2.551 -3.020 -27.920 1.00 0.00 N ATOM 444 CZ ARG A 30 -3.633 -3.553 -28.501 1.00 0.00 C ATOM 445 NH1 ARG A 30 -4.703 -3.851 -27.780 1.00 0.00 N ATOM 446 NH2 ARG A 30 -3.624 -3.832 -29.799 1.00 0.00 N ATOM 0 H ARG A 30 -3.331 -4.003 -24.455 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.819 -2.523 -22.390 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.814 -1.493 -24.598 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.207 -3.005 -23.953 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.452 -3.195 -26.358 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.598 -4.265 -25.574 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.444 -2.791 -26.035 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.376 -1.482 -26.504 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.707 -2.924 -28.485 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.706 -3.675 -26.775 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.524 -4.257 -28.229 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.791 -3.640 -30.356 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.450 -4.238 -30.239 1.00 0.00 H new ATOM 460 N PHE A 31 -2.761 -0.226 -22.974 1.00 0.00 N ATOM 461 CA PHE A 31 -3.493 1.032 -23.141 1.00 0.00 C ATOM 462 C PHE A 31 -3.678 1.336 -24.621 1.00 0.00 C ATOM 463 O PHE A 31 -2.739 1.188 -25.408 1.00 0.00 O ATOM 464 CB PHE A 31 -2.756 2.199 -22.472 1.00 0.00 C ATOM 465 CG PHE A 31 -2.764 2.168 -20.969 1.00 0.00 C ATOM 466 CD1 PHE A 31 -1.816 1.443 -20.267 1.00 0.00 C ATOM 467 CD2 PHE A 31 -3.714 2.883 -20.260 1.00 0.00 C ATOM 468 CE1 PHE A 31 -1.817 1.429 -18.885 1.00 0.00 C ATOM 469 CE2 PHE A 31 -3.722 2.873 -18.878 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.773 2.145 -18.191 1.00 0.00 C ATOM 0 H PHE A 31 -1.944 -0.159 -22.367 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.466 0.917 -22.663 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.722 2.203 -22.816 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.206 3.134 -22.805 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.067 0.882 -20.806 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.458 3.456 -20.793 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.072 0.860 -18.349 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.470 3.434 -18.337 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.777 2.135 -17.111 1.00 0.00 H new ATOM 480 N GLN A 32 -4.872 1.760 -25.001 1.00 0.00 N ATOM 481 CA GLN A 32 -5.175 2.000 -26.401 1.00 0.00 C ATOM 482 C GLN A 32 -5.880 3.342 -26.583 1.00 0.00 C ATOM 483 O GLN A 32 -6.755 3.710 -25.794 1.00 0.00 O ATOM 484 CB GLN A 32 -6.022 0.846 -26.961 1.00 0.00 C ATOM 485 CG GLN A 32 -7.408 0.727 -26.339 1.00 0.00 C ATOM 486 CD GLN A 32 -8.076 -0.616 -26.599 1.00 0.00 C ATOM 487 OE1 GLN A 32 -7.304 -1.694 -26.565 1.00 0.00 O flip ATOM 488 NE2 GLN A 32 -9.292 -0.688 -26.776 1.00 0.00 N flip ATOM 0 H GLN A 32 -5.645 1.944 -24.361 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.240 2.043 -26.960 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.130 0.979 -28.037 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.486 -0.091 -26.808 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.329 0.883 -25.263 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.043 1.522 -26.731 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.856 0.162 -26.796 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.736 -1.598 -26.902 1.00 0.00 H new ATOM 497 N ILE A 33 -5.466 4.086 -27.602 1.00 0.00 N ATOM 498 CA ILE A 33 -6.065 5.377 -27.908 1.00 0.00 C ATOM 499 C ILE A 33 -5.951 5.679 -29.404 1.00 0.00 C ATOM 500 O ILE A 33 -4.949 5.346 -30.035 1.00 0.00 O ATOM 501 CB ILE A 33 -5.404 6.509 -27.087 1.00 0.00 C ATOM 502 CG1 ILE A 33 -6.086 7.847 -27.368 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.913 6.596 -27.387 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.562 8.976 -26.517 1.00 0.00 C ATOM 0 H ILE A 33 -4.713 3.814 -28.233 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.119 5.328 -27.635 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.526 6.276 -26.029 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.951 8.101 -28.419 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.158 7.742 -27.200 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.470 7.399 -26.798 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.434 5.651 -27.130 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.767 6.800 -28.448 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.090 9.896 -26.768 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.721 8.742 -25.464 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.496 9.107 -26.702 1.00 0.00 H new ATOM 516 N TYR A 34 -6.985 6.297 -29.967 1.00 0.00 N ATOM 517 CA TYR A 34 -7.019 6.589 -31.396 1.00 0.00 C ATOM 518 C TYR A 34 -6.627 8.039 -31.671 1.00 0.00 C ATOM 519 O TYR A 34 -6.914 8.933 -30.876 1.00 0.00 O ATOM 520 CB TYR A 34 -8.407 6.306 -31.965 1.00 0.00 C ATOM 521 CG TYR A 34 -8.834 4.859 -31.832 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.356 3.890 -32.707 1.00 0.00 C ATOM 523 CD2 TYR A 34 -9.724 4.466 -30.838 1.00 0.00 C ATOM 524 CE1 TYR A 34 -8.747 2.570 -32.593 1.00 0.00 C ATOM 525 CE2 TYR A 34 -10.119 3.147 -30.718 1.00 0.00 C ATOM 526 CZ TYR A 34 -9.629 2.205 -31.598 1.00 0.00 C ATOM 527 OH TYR A 34 -10.019 0.890 -31.483 1.00 0.00 O ATOM 0 H TYR A 34 -7.811 6.605 -29.455 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.294 5.940 -31.887 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.135 6.939 -31.457 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.422 6.585 -33.019 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.667 4.174 -33.489 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.112 5.202 -30.150 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.364 1.829 -33.279 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.808 2.855 -29.939 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.642 0.798 -30.732 1.00 0.00 H new ATOM 537 N LEU A 35 -5.993 8.255 -32.817 1.00 0.00 N ATOM 538 CA LEU A 35 -5.463 9.566 -33.189 1.00 0.00 C ATOM 539 C LEU A 35 -6.584 10.581 -33.388 1.00 0.00 C ATOM 540 O LEU A 35 -6.479 11.730 -32.955 1.00 0.00 O ATOM 541 CB LEU A 35 -4.645 9.440 -34.481 1.00 0.00 C ATOM 542 CG LEU A 35 -3.305 10.182 -34.506 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.498 11.676 -34.305 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.368 9.617 -33.454 1.00 0.00 C ATOM 0 H LEU A 35 -5.831 7.529 -33.515 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.826 9.920 -32.378 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.455 8.383 -34.665 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.254 9.803 -35.309 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.856 10.034 -35.488 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.529 12.174 -34.328 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.128 12.072 -35.101 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.975 11.855 -33.342 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.420 10.155 -33.484 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.818 9.730 -32.468 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.192 8.560 -33.653 1.00 0.00 H new ATOM 556 N ASP A 36 -7.662 10.146 -34.030 1.00 0.00 N ATOM 557 CA ASP A 36 -8.768 11.042 -34.369 1.00 0.00 C ATOM 558 C ASP A 36 -9.450 11.564 -33.108 1.00 0.00 C ATOM 559 O ASP A 36 -9.946 12.691 -33.071 1.00 0.00 O ATOM 560 CB ASP A 36 -9.785 10.334 -35.268 1.00 0.00 C ATOM 561 CG ASP A 36 -10.865 11.274 -35.766 1.00 0.00 C ATOM 562 OD1 ASP A 36 -10.527 12.378 -36.234 1.00 0.00 O ATOM 563 OD2 ASP A 36 -12.060 10.915 -35.698 1.00 0.00 O ATOM 0 H ASP A 36 -7.796 9.180 -34.327 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.356 11.891 -34.915 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.268 9.894 -36.121 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.246 9.514 -34.716 1.00 0.00 H new ATOM 568 N ASP A 37 -9.457 10.736 -32.072 1.00 0.00 N ATOM 569 CA ASP A 37 -10.001 11.125 -30.777 1.00 0.00 C ATOM 570 C ASP A 37 -9.110 12.180 -30.130 1.00 0.00 C ATOM 571 O ASP A 37 -9.594 13.187 -29.610 1.00 0.00 O ATOM 572 CB ASP A 37 -10.122 9.899 -29.861 1.00 0.00 C ATOM 573 CG ASP A 37 -11.129 8.874 -30.364 1.00 0.00 C ATOM 574 OD1 ASP A 37 -10.936 8.329 -31.475 1.00 0.00 O ATOM 575 OD2 ASP A 37 -12.114 8.598 -29.645 1.00 0.00 O ATOM 0 H ASP A 37 -9.090 9.785 -32.104 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.995 11.548 -30.927 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.145 9.424 -29.768 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.413 10.226 -28.863 1.00 0.00 H new ATOM 580 N MET A 38 -7.798 11.952 -30.198 1.00 0.00 N ATOM 581 CA MET A 38 -6.816 12.870 -29.623 1.00 0.00 C ATOM 582 C MET A 38 -6.894 14.233 -30.298 1.00 0.00 C ATOM 583 O MET A 38 -6.856 15.271 -29.637 1.00 0.00 O ATOM 584 CB MET A 38 -5.398 12.315 -29.790 1.00 0.00 C ATOM 585 CG MET A 38 -5.210 10.918 -29.232 1.00 0.00 C ATOM 586 SD MET A 38 -3.528 10.300 -29.462 1.00 0.00 S ATOM 587 CE MET A 38 -2.610 11.442 -28.433 1.00 0.00 C ATOM 0 H MET A 38 -7.389 11.133 -30.649 1.00 0.00 H new ATOM 0 HA MET A 38 -7.043 12.977 -28.562 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.145 12.308 -30.850 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.696 12.988 -29.299 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.450 10.920 -28.169 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.912 10.239 -29.716 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.787 10.915 -27.949 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.212 12.248 -29.049 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.271 11.859 -27.673 1.00 0.00 H new ATOM 597 N PHE A 39 -7.027 14.211 -31.618 1.00 0.00 N ATOM 598 CA PHE A 39 -7.038 15.427 -32.426 1.00 0.00 C ATOM 599 C PHE A 39 -8.269 16.283 -32.123 1.00 0.00 C ATOM 600 O PHE A 39 -8.312 17.472 -32.448 1.00 0.00 O ATOM 601 CB PHE A 39 -6.994 15.058 -33.913 1.00 0.00 C ATOM 602 CG PHE A 39 -6.758 16.229 -34.826 1.00 0.00 C ATOM 603 CD1 PHE A 39 -5.501 16.808 -34.919 1.00 0.00 C ATOM 604 CD2 PHE A 39 -7.787 16.746 -35.594 1.00 0.00 C ATOM 605 CE1 PHE A 39 -5.278 17.879 -35.762 1.00 0.00 C ATOM 606 CE2 PHE A 39 -7.570 17.818 -36.437 1.00 0.00 C ATOM 607 CZ PHE A 39 -6.314 18.386 -36.523 1.00 0.00 C ATOM 0 H PHE A 39 -7.130 13.353 -32.159 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.156 16.017 -32.175 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.206 14.322 -34.071 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.935 14.581 -34.187 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.688 16.417 -34.326 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.771 16.306 -35.533 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.294 18.320 -35.826 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.383 18.212 -37.029 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.142 19.224 -37.183 1.00 0.00 H new ATOM 617 N GLU A 40 -9.262 15.682 -31.485 1.00 0.00 N ATOM 618 CA GLU A 40 -10.477 16.398 -31.131 1.00 0.00 C ATOM 619 C GLU A 40 -10.297 17.198 -29.847 1.00 0.00 C ATOM 620 O GLU A 40 -11.121 18.050 -29.517 1.00 0.00 O ATOM 621 CB GLU A 40 -11.649 15.434 -30.988 1.00 0.00 C ATOM 622 CG GLU A 40 -12.698 15.608 -32.069 1.00 0.00 C ATOM 623 CD GLU A 40 -13.263 17.012 -32.094 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.197 17.293 -31.314 1.00 0.00 O ATOM 625 OE2 GLU A 40 -12.766 17.845 -32.880 1.00 0.00 O ATOM 0 H GLU A 40 -9.250 14.702 -31.202 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.692 17.097 -31.939 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.275 14.410 -31.014 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.114 15.579 -30.013 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.259 15.377 -33.040 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.507 14.895 -31.907 1.00 0.00 H new ATOM 632 N GLY A 41 -9.215 16.934 -29.132 1.00 0.00 N ATOM 633 CA GLY A 41 -8.949 17.664 -27.913 1.00 0.00 C ATOM 634 C GLY A 41 -9.176 16.831 -26.671 1.00 0.00 C ATOM 635 O GLY A 41 -8.931 17.289 -25.554 1.00 0.00 O ATOM 0 H GLY A 41 -8.518 16.229 -29.374 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.918 18.018 -27.924 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.589 18.546 -27.876 1.00 0.00 H new ATOM 639 N GLU A 42 -9.662 15.613 -26.856 1.00 0.00 N ATOM 640 CA GLU A 42 -9.801 14.684 -25.749 1.00 0.00 C ATOM 641 C GLU A 42 -8.718 13.627 -25.852 1.00 0.00 C ATOM 642 O GLU A 42 -8.716 12.797 -26.761 1.00 0.00 O ATOM 643 CB GLU A 42 -11.188 14.040 -25.733 1.00 0.00 C ATOM 644 CG GLU A 42 -11.393 13.087 -24.567 1.00 0.00 C ATOM 645 CD GLU A 42 -12.819 12.595 -24.449 1.00 0.00 C ATOM 646 OE1 GLU A 42 -13.184 11.632 -25.151 1.00 0.00 O ATOM 647 OE2 GLU A 42 -13.577 13.162 -23.634 1.00 0.00 O ATOM 0 H GLU A 42 -9.965 15.248 -27.759 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.690 15.230 -24.812 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.945 14.823 -25.691 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.341 13.499 -26.667 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.728 12.231 -24.683 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.110 13.588 -23.641 1.00 0.00 H new ATOM 654 N LYS A 43 -7.789 13.679 -24.923 1.00 0.00 N ATOM 655 CA LYS A 43 -6.611 12.837 -24.984 1.00 0.00 C ATOM 656 C LYS A 43 -6.544 11.911 -23.769 1.00 0.00 C ATOM 657 O LYS A 43 -6.212 12.320 -22.661 1.00 0.00 O ATOM 658 CB LYS A 43 -5.343 13.704 -25.136 1.00 0.00 C ATOM 659 CG LYS A 43 -4.886 14.468 -23.891 1.00 0.00 C ATOM 660 CD LYS A 43 -5.977 15.303 -23.249 1.00 0.00 C ATOM 661 CE LYS A 43 -5.427 16.075 -22.072 1.00 0.00 C ATOM 662 NZ LYS A 43 -6.476 16.392 -21.070 1.00 0.00 N ATOM 0 H LYS A 43 -7.826 14.297 -24.113 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.674 12.197 -25.864 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.526 13.060 -25.460 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.516 14.425 -25.935 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.508 13.756 -23.158 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.055 15.119 -24.161 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.394 15.994 -23.982 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.791 14.658 -22.920 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.636 15.495 -21.597 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.974 17.001 -22.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.125 17.124 -20.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.327 16.740 -21.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.711 15.534 -20.531 1.00 0.00 H new ATOM 676 N VAL A 44 -6.896 10.659 -23.982 1.00 0.00 N ATOM 677 CA VAL A 44 -6.926 9.687 -22.906 1.00 0.00 C ATOM 678 C VAL A 44 -6.935 8.273 -23.461 1.00 0.00 C ATOM 679 O VAL A 44 -7.766 7.924 -24.300 1.00 0.00 O ATOM 680 CB VAL A 44 -8.149 9.917 -21.983 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.395 10.181 -22.804 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.368 8.737 -21.050 1.00 0.00 C ATOM 0 H VAL A 44 -7.166 10.289 -24.893 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.023 9.818 -22.310 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.942 10.795 -21.371 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.243 10.340 -22.138 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.245 11.069 -23.418 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.595 9.324 -23.448 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.233 8.930 -20.416 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.543 7.836 -21.638 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.485 8.598 -20.426 1.00 0.00 H new ATOM 692 N ALA A 45 -5.995 7.471 -23.002 1.00 0.00 N ATOM 693 CA ALA A 45 -5.906 6.095 -23.435 1.00 0.00 C ATOM 694 C ALA A 45 -6.526 5.197 -22.386 1.00 0.00 C ATOM 695 O ALA A 45 -6.327 5.400 -21.187 1.00 0.00 O ATOM 696 CB ALA A 45 -4.460 5.701 -23.694 1.00 0.00 C ATOM 0 H ALA A 45 -5.282 7.751 -22.328 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.452 5.981 -24.371 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.419 4.661 -24.019 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.042 6.341 -24.471 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.881 5.818 -22.778 1.00 0.00 H new ATOM 702 N VAL A 46 -7.295 4.227 -22.837 1.00 0.00 N ATOM 703 CA VAL A 46 -7.971 3.319 -21.933 1.00 0.00 C ATOM 704 C VAL A 46 -7.424 1.917 -22.111 1.00 0.00 C ATOM 705 O VAL A 46 -7.424 1.380 -23.218 1.00 0.00 O ATOM 706 CB VAL A 46 -9.499 3.310 -22.170 1.00 0.00 C ATOM 707 CG1 VAL A 46 -10.199 2.409 -21.167 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.060 4.723 -22.112 1.00 0.00 C ATOM 0 H VAL A 46 -7.468 4.047 -23.826 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.788 3.665 -20.916 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.685 2.910 -23.167 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.273 2.420 -21.355 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.823 1.391 -21.268 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.004 2.769 -20.157 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.136 4.694 -22.281 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.858 5.155 -21.132 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.588 5.334 -22.882 1.00 0.00 H new ATOM 718 N CYS A 47 -6.931 1.342 -21.034 1.00 0.00 N ATOM 719 CA CYS A 47 -6.427 -0.011 -21.076 1.00 0.00 C ATOM 720 C CYS A 47 -7.546 -0.977 -20.742 1.00 0.00 C ATOM 721 O CYS A 47 -8.179 -0.863 -19.696 1.00 0.00 O ATOM 722 CB CYS A 47 -5.278 -0.188 -20.088 1.00 0.00 C ATOM 723 SG CYS A 47 -4.297 -1.701 -20.346 1.00 0.00 S ATOM 0 H CYS A 47 -6.869 1.791 -20.120 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.053 -0.216 -22.079 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.617 0.676 -20.158 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.682 -0.199 -19.076 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.448 -1.839 -19.371 1.00 0.00 H new ATOM 728 N PRO A 48 -7.837 -1.910 -21.644 1.00 0.00 N ATOM 729 CA PRO A 48 -8.816 -2.954 -21.391 1.00 0.00 C ATOM 730 C PRO A 48 -8.264 -4.013 -20.438 1.00 0.00 C ATOM 731 O PRO A 48 -7.051 -4.140 -20.298 1.00 0.00 O ATOM 732 CB PRO A 48 -9.090 -3.536 -22.777 1.00 0.00 C ATOM 733 CG PRO A 48 -7.875 -3.232 -23.584 1.00 0.00 C ATOM 734 CD PRO A 48 -7.230 -2.013 -22.981 1.00 0.00 C ATOM 0 HA PRO A 48 -9.719 -2.579 -20.909 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.267 -4.610 -22.724 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.979 -3.088 -23.222 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.186 -4.076 -23.574 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.141 -3.051 -24.625 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.147 -2.124 -22.920 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.426 -1.122 -23.577 1.00 0.00 H new ATOM 742 N SER A 49 -9.170 -4.720 -19.758 1.00 0.00 N ATOM 743 CA SER A 49 -8.830 -5.781 -18.802 1.00 0.00 C ATOM 744 C SER A 49 -8.651 -5.192 -17.407 1.00 0.00 C ATOM 745 O SER A 49 -9.364 -5.576 -16.481 1.00 0.00 O ATOM 746 CB SER A 49 -7.591 -6.590 -19.234 1.00 0.00 C ATOM 747 OG SER A 49 -7.315 -7.649 -18.329 1.00 0.00 O ATOM 0 H SER A 49 -10.174 -4.571 -19.856 1.00 0.00 H new ATOM 0 HA SER A 49 -9.662 -6.485 -18.782 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.752 -6.997 -20.232 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.727 -5.928 -19.295 1.00 0.00 H new ATOM 0 HG SER A 49 -6.754 -8.320 -18.771 1.00 0.00 H new ATOM 753 N CYS A 50 -7.729 -4.247 -17.253 1.00 0.00 N ATOM 754 CA CYS A 50 -7.568 -3.575 -15.967 1.00 0.00 C ATOM 755 C CYS A 50 -8.481 -2.352 -15.914 1.00 0.00 C ATOM 756 O CYS A 50 -8.891 -1.908 -14.840 1.00 0.00 O ATOM 757 CB CYS A 50 -6.109 -3.172 -15.719 1.00 0.00 C ATOM 758 SG CYS A 50 -5.495 -1.844 -16.799 1.00 0.00 S ATOM 0 H CYS A 50 -7.093 -3.933 -17.986 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.849 -4.271 -15.177 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.005 -2.855 -14.681 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.476 -4.050 -15.849 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.227 -2.021 -17.026 1.00 0.00 H new ATOM 763 N SER A 51 -8.785 -1.823 -17.101 1.00 0.00 N ATOM 764 CA SER A 51 -9.732 -0.724 -17.268 1.00 0.00 C ATOM 765 C SER A 51 -9.193 0.570 -16.654 1.00 0.00 C ATOM 766 O SER A 51 -9.898 1.280 -15.935 1.00 0.00 O ATOM 767 CB SER A 51 -11.090 -1.102 -16.671 1.00 0.00 C ATOM 768 OG SER A 51 -11.581 -2.298 -17.258 1.00 0.00 O ATOM 0 H SER A 51 -8.377 -2.149 -17.977 1.00 0.00 H new ATOM 0 HA SER A 51 -9.866 -0.543 -18.334 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.995 -1.232 -15.593 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.802 -0.293 -16.833 1.00 0.00 H new ATOM 0 HG SER A 51 -12.449 -2.524 -16.863 1.00 0.00 H new ATOM 774 N LEU A 52 -7.942 0.885 -16.975 1.00 0.00 N ATOM 775 CA LEU A 52 -7.292 2.072 -16.462 1.00 0.00 C ATOM 776 C LEU A 52 -7.273 3.142 -17.552 1.00 0.00 C ATOM 777 O LEU A 52 -6.988 2.855 -18.715 1.00 0.00 O ATOM 778 CB LEU A 52 -5.869 1.726 -16.005 1.00 0.00 C ATOM 779 CG LEU A 52 -5.329 2.521 -14.808 1.00 0.00 C ATOM 780 CD1 LEU A 52 -4.024 1.914 -14.316 1.00 0.00 C ATOM 781 CD2 LEU A 52 -5.118 3.984 -15.162 1.00 0.00 C ATOM 0 H LEU A 52 -7.358 0.324 -17.595 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.840 2.457 -15.602 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.838 0.666 -15.754 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.193 1.874 -16.847 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.073 2.468 -14.013 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.653 2.488 -13.467 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.196 0.882 -14.009 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.287 1.936 -15.119 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.735 4.517 -14.292 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.401 4.061 -15.979 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.067 4.424 -15.469 1.00 0.00 H new ATOM 793 N MET A 53 -7.605 4.362 -17.177 1.00 0.00 N ATOM 794 CA MET A 53 -7.652 5.474 -18.120 1.00 0.00 C ATOM 795 C MET A 53 -6.631 6.535 -17.742 1.00 0.00 C ATOM 796 O MET A 53 -6.496 6.881 -16.569 1.00 0.00 O ATOM 797 CB MET A 53 -9.053 6.078 -18.130 1.00 0.00 C ATOM 798 CG MET A 53 -10.118 5.083 -18.534 1.00 0.00 C ATOM 799 SD MET A 53 -11.773 5.589 -18.029 1.00 0.00 S ATOM 800 CE MET A 53 -11.598 5.553 -16.246 1.00 0.00 C ATOM 0 H MET A 53 -7.849 4.614 -16.219 1.00 0.00 H new ATOM 0 HA MET A 53 -7.412 5.102 -19.116 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.283 6.467 -17.138 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.074 6.924 -18.817 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.097 4.954 -19.616 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.889 4.113 -18.093 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.572 5.382 -15.788 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.918 4.750 -15.963 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.197 6.506 -15.900 1.00 0.00 H new ATOM 810 N ILE A 54 -5.930 7.061 -18.740 1.00 0.00 N ATOM 811 CA ILE A 54 -4.861 8.028 -18.505 1.00 0.00 C ATOM 812 C ILE A 54 -4.840 9.105 -19.591 1.00 0.00 C ATOM 813 O ILE A 54 -5.168 8.829 -20.741 1.00 0.00 O ATOM 814 CB ILE A 54 -3.481 7.316 -18.420 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.236 6.381 -19.617 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.395 6.511 -17.137 1.00 0.00 C ATOM 817 CD1 ILE A 54 -2.744 7.066 -20.873 1.00 0.00 C ATOM 0 H ILE A 54 -6.082 6.834 -19.723 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.059 8.515 -17.550 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.716 8.092 -18.435 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.508 5.624 -19.325 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.164 5.858 -19.846 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.426 6.015 -17.083 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.510 7.177 -16.281 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.187 5.763 -17.123 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.601 6.325 -21.659 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.479 7.802 -21.198 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.797 7.565 -20.668 1.00 0.00 H new ATOM 829 N ASP A 55 -4.478 10.331 -19.220 1.00 0.00 N ATOM 830 CA ASP A 55 -4.348 11.413 -20.194 1.00 0.00 C ATOM 831 C ASP A 55 -3.024 11.285 -20.929 1.00 0.00 C ATOM 832 O ASP A 55 -2.046 10.769 -20.378 1.00 0.00 O ATOM 833 CB ASP A 55 -4.389 12.796 -19.528 1.00 0.00 C ATOM 834 CG ASP A 55 -5.780 13.312 -19.229 1.00 0.00 C ATOM 835 OD1 ASP A 55 -6.509 13.684 -20.171 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.131 13.409 -18.037 1.00 0.00 O ATOM 0 H ASP A 55 -4.271 10.599 -18.258 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.190 11.328 -20.881 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.824 12.753 -18.597 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.882 13.511 -20.176 1.00 0.00 H new ATOM 841 N VAL A 56 -2.987 11.757 -22.160 1.00 0.00 N ATOM 842 CA VAL A 56 -1.746 11.784 -22.913 1.00 0.00 C ATOM 843 C VAL A 56 -1.528 13.155 -23.560 1.00 0.00 C ATOM 844 O VAL A 56 -2.219 13.533 -24.502 1.00 0.00 O ATOM 845 CB VAL A 56 -1.707 10.658 -23.976 1.00 0.00 C ATOM 846 CG1 VAL A 56 -2.959 10.671 -24.837 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.461 10.771 -24.839 1.00 0.00 C ATOM 0 H VAL A 56 -3.797 12.125 -22.659 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.930 11.606 -22.212 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.672 9.705 -23.448 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.902 9.870 -25.574 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.836 10.523 -24.206 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.038 11.630 -25.349 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.456 9.970 -25.578 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.458 11.734 -25.349 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.426 10.690 -24.210 1.00 0.00 H new ATOM 857 N VAL A 57 -0.550 13.884 -23.042 1.00 0.00 N ATOM 858 CA VAL A 57 -0.253 15.241 -23.503 1.00 0.00 C ATOM 859 C VAL A 57 0.248 15.216 -24.939 1.00 0.00 C ATOM 860 O VAL A 57 1.341 14.720 -25.216 1.00 0.00 O ATOM 861 CB VAL A 57 0.803 15.932 -22.606 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.040 17.370 -23.054 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.377 15.888 -21.145 1.00 0.00 C ATOM 0 H VAL A 57 0.060 13.557 -22.293 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.180 15.811 -23.446 1.00 0.00 H new ATOM 0 HB VAL A 57 1.742 15.387 -22.707 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.786 17.834 -22.408 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.397 17.376 -24.084 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.107 17.929 -22.991 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.132 16.379 -20.531 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.576 16.403 -21.028 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.270 14.851 -20.828 1.00 0.00 H new ATOM 873 N PHE A 58 -0.548 15.759 -25.846 1.00 0.00 N ATOM 874 CA PHE A 58 -0.244 15.689 -27.267 1.00 0.00 C ATOM 875 C PHE A 58 0.192 17.042 -27.816 1.00 0.00 C ATOM 876 O PHE A 58 -0.082 18.088 -27.221 1.00 0.00 O ATOM 877 CB PHE A 58 -1.469 15.189 -28.045 1.00 0.00 C ATOM 878 CG PHE A 58 -2.661 16.114 -27.978 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.582 16.012 -26.948 1.00 0.00 C ATOM 880 CD2 PHE A 58 -2.857 17.090 -28.946 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.671 16.860 -26.882 1.00 0.00 C ATOM 882 CE2 PHE A 58 -3.945 17.941 -28.886 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.853 17.825 -27.852 1.00 0.00 C ATOM 0 H PHE A 58 -1.411 16.254 -25.623 1.00 0.00 H new ATOM 0 HA PHE A 58 0.582 14.989 -27.393 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.190 15.048 -29.089 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.758 14.212 -27.658 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.447 15.259 -26.186 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.150 17.186 -29.757 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.379 16.768 -26.072 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.085 18.695 -29.646 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.704 18.488 -27.802 1.00 0.00 H new ATOM 893 N ASP A 59 0.868 17.005 -28.955 1.00 0.00 N ATOM 894 CA ASP A 59 1.230 18.217 -29.677 1.00 0.00 C ATOM 895 C ASP A 59 0.546 18.211 -31.031 1.00 0.00 C ATOM 896 O ASP A 59 0.374 17.151 -31.631 1.00 0.00 O ATOM 897 CB ASP A 59 2.742 18.309 -29.879 1.00 0.00 C ATOM 898 CG ASP A 59 3.177 19.645 -30.444 1.00 0.00 C ATOM 899 OD1 ASP A 59 3.375 20.592 -29.654 1.00 0.00 O ATOM 900 OD2 ASP A 59 3.320 19.757 -31.674 1.00 0.00 O ATOM 0 H ASP A 59 1.179 16.143 -29.402 1.00 0.00 H new ATOM 0 HA ASP A 59 0.908 19.078 -29.090 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.242 18.143 -28.925 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.064 17.513 -30.551 1.00 0.00 H new ATOM 905 N LYS A 60 0.170 19.383 -31.514 1.00 0.00 N ATOM 906 CA LYS A 60 -0.500 19.492 -32.805 1.00 0.00 C ATOM 907 C LYS A 60 0.409 19.001 -33.922 1.00 0.00 C ATOM 908 O LYS A 60 -0.040 18.337 -34.856 1.00 0.00 O ATOM 909 CB LYS A 60 -0.930 20.936 -33.097 1.00 0.00 C ATOM 910 CG LYS A 60 -2.071 21.446 -32.228 1.00 0.00 C ATOM 911 CD LYS A 60 -1.601 21.780 -30.827 1.00 0.00 C ATOM 912 CE LYS A 60 -2.738 22.287 -29.960 1.00 0.00 C ATOM 913 NZ LYS A 60 -2.270 22.652 -28.598 1.00 0.00 N ATOM 0 H LYS A 60 0.315 20.272 -31.036 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.392 18.868 -32.760 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.069 21.591 -32.965 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.227 21.008 -34.143 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.509 22.333 -32.686 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.856 20.692 -32.178 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.162 20.894 -30.369 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.816 22.535 -30.877 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.196 23.156 -30.432 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.509 21.520 -29.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.074 22.994 -28.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.855 21.817 -28.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.552 23.401 -28.667 1.00 0.00 H new ATOM 927 N GLU A 61 1.693 19.297 -33.797 1.00 0.00 N ATOM 928 CA GLU A 61 2.649 18.963 -34.837 1.00 0.00 C ATOM 929 C GLU A 61 3.122 17.528 -34.673 1.00 0.00 C ATOM 930 O GLU A 61 3.503 16.876 -35.645 1.00 0.00 O ATOM 931 CB GLU A 61 3.824 19.943 -34.820 1.00 0.00 C ATOM 932 CG GLU A 61 3.397 21.381 -35.077 1.00 0.00 C ATOM 933 CD GLU A 61 4.557 22.350 -35.060 1.00 0.00 C ATOM 934 OE1 GLU A 61 5.164 22.575 -36.131 1.00 0.00 O ATOM 935 OE2 GLU A 61 4.867 22.892 -33.978 1.00 0.00 O ATOM 0 H GLU A 61 2.095 19.767 -32.986 1.00 0.00 H new ATOM 0 HA GLU A 61 2.160 19.049 -35.808 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.326 19.885 -33.854 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.551 19.644 -35.575 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.896 21.439 -36.043 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.670 21.679 -34.322 1.00 0.00 H new ATOM 942 N ASP A 62 3.078 17.030 -33.441 1.00 0.00 N ATOM 943 CA ASP A 62 3.364 15.622 -33.192 1.00 0.00 C ATOM 944 C ASP A 62 2.301 14.752 -33.839 1.00 0.00 C ATOM 945 O ASP A 62 2.619 13.799 -34.550 1.00 0.00 O ATOM 946 CB ASP A 62 3.432 15.326 -31.694 1.00 0.00 C ATOM 947 CG ASP A 62 4.851 15.331 -31.164 1.00 0.00 C ATOM 948 OD1 ASP A 62 5.740 15.910 -31.825 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.080 14.765 -30.077 1.00 0.00 O ATOM 0 H ASP A 62 2.850 17.573 -32.609 1.00 0.00 H new ATOM 0 HA ASP A 62 4.336 15.395 -33.629 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.843 16.067 -31.154 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.978 14.354 -31.498 1.00 0.00 H new ATOM 954 N LEU A 63 1.037 15.101 -33.606 1.00 0.00 N ATOM 955 CA LEU A 63 -0.083 14.353 -34.168 1.00 0.00 C ATOM 956 C LEU A 63 0.041 14.253 -35.682 1.00 0.00 C ATOM 957 O LEU A 63 -0.058 13.166 -36.246 1.00 0.00 O ATOM 958 CB LEU A 63 -1.422 15.005 -33.802 1.00 0.00 C ATOM 959 CG LEU A 63 -1.745 15.068 -32.308 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.113 15.691 -32.093 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.684 13.682 -31.687 1.00 0.00 C ATOM 0 H LEU A 63 0.764 15.898 -33.031 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.055 13.350 -33.742 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.431 16.020 -34.200 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.220 14.459 -34.304 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.998 15.692 -31.818 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.331 15.730 -31.026 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.121 16.701 -32.502 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.870 15.089 -32.596 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.917 13.749 -30.624 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.409 13.032 -32.177 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.683 13.270 -31.814 1.00 0.00 H new ATOM 973 N ALA A 64 0.282 15.389 -36.332 1.00 0.00 N ATOM 974 CA ALA A 64 0.412 15.433 -37.785 1.00 0.00 C ATOM 975 C ALA A 64 1.594 14.590 -38.269 1.00 0.00 C ATOM 976 O ALA A 64 1.522 13.935 -39.309 1.00 0.00 O ATOM 977 CB ALA A 64 0.560 16.872 -38.254 1.00 0.00 C ATOM 0 H ALA A 64 0.391 16.293 -35.873 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.495 15.009 -38.216 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.656 16.893 -39.340 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.319 17.444 -37.957 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.449 17.312 -37.802 1.00 0.00 H new ATOM 983 N GLU A 65 2.675 14.601 -37.499 1.00 0.00 N ATOM 984 CA GLU A 65 3.883 13.874 -37.863 1.00 0.00 C ATOM 985 C GLU A 65 3.653 12.368 -37.774 1.00 0.00 C ATOM 986 O GLU A 65 3.888 11.640 -38.740 1.00 0.00 O ATOM 987 CB GLU A 65 5.035 14.303 -36.958 1.00 0.00 C ATOM 988 CG GLU A 65 6.381 13.716 -37.347 1.00 0.00 C ATOM 989 CD GLU A 65 7.525 14.365 -36.599 1.00 0.00 C ATOM 990 OE1 GLU A 65 7.864 13.899 -35.496 1.00 0.00 O ATOM 991 OE2 GLU A 65 8.088 15.360 -37.108 1.00 0.00 O ATOM 0 H GLU A 65 2.739 15.107 -36.616 1.00 0.00 H new ATOM 0 HA GLU A 65 4.141 14.111 -38.895 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.108 15.391 -36.971 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.806 14.011 -35.933 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.380 12.645 -37.147 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.533 13.840 -38.419 1.00 0.00 H new ATOM 998 N TYR A 66 3.165 11.907 -36.627 1.00 0.00 N ATOM 999 CA TYR A 66 2.889 10.489 -36.428 1.00 0.00 C ATOM 1000 C TYR A 66 1.786 10.009 -37.373 1.00 0.00 C ATOM 1001 O TYR A 66 1.812 8.871 -37.845 1.00 0.00 O ATOM 1002 CB TYR A 66 2.513 10.205 -34.970 1.00 0.00 C ATOM 1003 CG TYR A 66 3.672 10.364 -34.003 1.00 0.00 C ATOM 1004 CD1 TYR A 66 4.677 9.407 -33.932 1.00 0.00 C ATOM 1005 CD2 TYR A 66 3.763 11.468 -33.165 1.00 0.00 C ATOM 1006 CE1 TYR A 66 5.737 9.545 -33.050 1.00 0.00 C ATOM 1007 CE2 TYR A 66 4.819 11.615 -32.284 1.00 0.00 C ATOM 1008 CZ TYR A 66 5.803 10.652 -32.230 1.00 0.00 C ATOM 1009 OH TYR A 66 6.857 10.795 -31.352 1.00 0.00 O ATOM 0 H TYR A 66 2.953 12.495 -35.821 1.00 0.00 H new ATOM 0 HA TYR A 66 3.799 9.935 -36.659 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.708 10.877 -34.673 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.124 9.189 -34.895 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.631 8.541 -34.575 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.995 12.226 -33.202 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.507 8.790 -33.005 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.872 12.481 -31.641 1.00 0.00 H new ATOM 0 HH TYR A 66 6.753 11.630 -30.849 1.00 0.00 H new ATOM 1019 N TYR A 67 0.821 10.887 -37.639 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.237 10.606 -38.607 1.00 0.00 C ATOM 1021 C TYR A 67 0.348 10.201 -39.956 1.00 0.00 C ATOM 1022 O TYR A 67 -0.082 9.214 -40.556 1.00 0.00 O ATOM 1023 CB TYR A 67 -1.148 11.836 -38.754 1.00 0.00 C ATOM 1024 CG TYR A 67 -1.667 12.083 -40.160 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -2.598 11.237 -40.752 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -1.214 13.173 -40.895 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -3.058 11.469 -42.035 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -1.672 13.411 -42.176 1.00 0.00 C ATOM 1029 CZ TYR A 67 -2.591 12.557 -42.742 1.00 0.00 C ATOM 1030 OH TYR A 67 -3.050 12.797 -44.019 1.00 0.00 O ATOM 0 H TYR A 67 0.750 11.803 -37.196 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.831 9.768 -38.241 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.999 11.722 -38.083 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.599 12.718 -38.425 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.968 10.385 -40.201 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.491 13.845 -40.456 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.780 10.801 -42.482 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.310 14.264 -42.731 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.621 13.603 -44.375 1.00 0.00 H new ATOM 1040 N GLU A 68 1.331 10.957 -40.424 1.00 0.00 N ATOM 1041 CA GLU A 68 1.945 10.694 -41.718 1.00 0.00 C ATOM 1042 C GLU A 68 2.758 9.401 -41.674 1.00 0.00 C ATOM 1043 O GLU A 68 2.705 8.592 -42.602 1.00 0.00 O ATOM 1044 CB GLU A 68 2.829 11.871 -42.129 1.00 0.00 C ATOM 1045 CG GLU A 68 3.372 11.762 -43.544 1.00 0.00 C ATOM 1046 CD GLU A 68 4.179 12.975 -43.953 1.00 0.00 C ATOM 1047 OE1 GLU A 68 3.576 13.959 -44.418 1.00 0.00 O ATOM 1048 OE2 GLU A 68 5.422 12.946 -43.812 1.00 0.00 O ATOM 0 H GLU A 68 1.721 11.758 -39.927 1.00 0.00 H new ATOM 0 HA GLU A 68 1.156 10.574 -42.461 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.255 12.793 -42.039 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.665 11.947 -41.433 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.996 10.872 -43.622 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.542 11.631 -44.239 1.00 0.00 H new ATOM 1055 N GLU A 69 3.490 9.210 -40.582 1.00 0.00 N ATOM 1056 CA GLU A 69 4.297 8.008 -40.390 1.00 0.00 C ATOM 1057 C GLU A 69 3.430 6.748 -40.420 1.00 0.00 C ATOM 1058 O GLU A 69 3.779 5.757 -41.062 1.00 0.00 O ATOM 1059 CB GLU A 69 5.047 8.081 -39.058 1.00 0.00 C ATOM 1060 CG GLU A 69 6.048 9.221 -38.971 1.00 0.00 C ATOM 1061 CD GLU A 69 7.176 9.096 -39.973 1.00 0.00 C ATOM 1062 OE1 GLU A 69 8.129 8.330 -39.711 1.00 0.00 O ATOM 1063 OE2 GLU A 69 7.128 9.770 -41.023 1.00 0.00 O ATOM 0 H GLU A 69 3.542 9.876 -39.811 1.00 0.00 H new ATOM 0 HA GLU A 69 5.014 7.954 -41.209 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.322 8.186 -38.251 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.571 7.139 -38.896 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.529 10.166 -39.133 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.465 9.255 -37.965 1.00 0.00 H new ATOM 1070 N ALA A 70 2.300 6.794 -39.727 1.00 0.00 N ATOM 1071 CA ALA A 70 1.421 5.636 -39.622 1.00 0.00 C ATOM 1072 C ALA A 70 0.516 5.489 -40.844 1.00 0.00 C ATOM 1073 O ALA A 70 0.109 4.380 -41.196 1.00 0.00 O ATOM 1074 CB ALA A 70 0.582 5.740 -38.360 1.00 0.00 C ATOM 0 H ALA A 70 1.970 7.621 -39.229 1.00 0.00 H new ATOM 0 HA ALA A 70 2.049 4.747 -39.574 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.073 4.872 -38.286 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.237 5.775 -37.489 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.021 6.647 -38.397 1.00 0.00 H new ATOM 1080 N GLY A 71 0.219 6.601 -41.501 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.635 6.564 -42.670 1.00 0.00 C ATOM 1082 C GLY A 71 -2.095 6.445 -42.296 1.00 0.00 C ATOM 1083 O GLY A 71 -2.778 5.499 -42.692 1.00 0.00 O ATOM 0 H GLY A 71 0.555 7.529 -41.245 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.483 7.468 -43.259 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.352 5.721 -43.301 1.00 0.00 H new