USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 389 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 Single : A 1 MET CE :methyl -158:sc= -0.0635 (180deg=-0.62) USER MOD Single : A 1 MET N :NH3+ -128:sc= -0.0208 (180deg=-0.486) USER MOD Single : A 5 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-4.3!) USER MOD Single : A 6 GLN : amide:sc= -0.872 X(o=-0.87,f=-1.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -69:sc= 0.191 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.22) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 83:sc= 0.588 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.0106 X(o=0.011,f=-0.37) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00542 K(o=-0.0054,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 43.471 -10.199 -14.806 1.00 1.00 N ATOM 2 CA MET A 1 43.373 -10.960 -16.083 1.00 1.00 C ATOM 3 C MET A 1 43.093 -12.427 -15.776 1.00 1.00 C ATOM 4 O MET A 1 42.070 -12.763 -15.181 1.00 1.00 O ATOM 5 CB MET A 1 44.687 -10.829 -16.856 1.00 1.00 C ATOM 6 CG MET A 1 44.864 -9.380 -17.317 1.00 1.00 C ATOM 7 SD MET A 1 46.388 -9.231 -18.288 1.00 1.00 S ATOM 8 CE MET A 1 47.571 -9.390 -16.924 1.00 1.00 C ATOM 0 H1 MET A 1 42.838 -9.375 -14.844 1.00 1.00 H new ATOM 0 H2 MET A 1 43.193 -10.813 -14.014 1.00 1.00 H new ATOM 0 H3 MET A 1 44.450 -9.877 -14.668 1.00 1.00 H new ATOM 0 HA MET A 1 42.561 -10.559 -16.690 1.00 1.00 H new ATOM 0 HB2 MET A 1 45.524 -11.126 -16.224 1.00 1.00 H new ATOM 0 HB3 MET A 1 44.684 -11.498 -17.716 1.00 1.00 H new ATOM 0 HG2 MET A 1 44.008 -9.072 -17.917 1.00 1.00 H new ATOM 0 HG3 MET A 1 44.905 -8.716 -16.454 1.00 1.00 H new ATOM 0 HE1 MET A 1 48.524 -8.949 -17.216 1.00 1.00 H new ATOM 0 HE2 MET A 1 47.186 -8.872 -16.046 1.00 1.00 H new ATOM 0 HE3 MET A 1 47.716 -10.444 -16.689 1.00 1.00 H new ATOM 20 N ALA A 2 44.011 -13.297 -16.186 1.00 1.00 N ATOM 21 CA ALA A 2 43.853 -14.727 -15.949 1.00 1.00 C ATOM 22 C ALA A 2 43.856 -15.026 -14.453 1.00 1.00 C ATOM 23 O ALA A 2 43.114 -15.888 -13.981 1.00 1.00 O ATOM 24 CB ALA A 2 44.986 -15.499 -16.629 1.00 1.00 C ATOM 0 H ALA A 2 44.865 -13.039 -16.680 1.00 1.00 H new ATOM 0 HA ALA A 2 42.898 -15.042 -16.369 1.00 1.00 H new ATOM 0 HB1 ALA A 2 44.860 -16.566 -16.447 1.00 1.00 H new ATOM 0 HB2 ALA A 2 44.963 -15.309 -17.702 1.00 1.00 H new ATOM 0 HB3 ALA A 2 45.944 -15.172 -16.223 1.00 1.00 H new ATOM 30 N GLU A 3 44.695 -14.309 -13.714 1.00 1.00 N ATOM 31 CA GLU A 3 44.787 -14.504 -12.272 1.00 1.00 C ATOM 32 C GLU A 3 43.486 -14.091 -11.592 1.00 1.00 C ATOM 33 O GLU A 3 43.038 -14.736 -10.643 1.00 1.00 O ATOM 34 CB GLU A 3 45.945 -13.682 -11.705 1.00 1.00 C ATOM 35 CG GLU A 3 47.272 -14.253 -12.210 1.00 1.00 C ATOM 36 CD GLU A 3 48.430 -13.390 -11.723 1.00 1.00 C ATOM 37 OE1 GLU A 3 48.170 -12.426 -11.021 1.00 1.00 O ATOM 38 OE2 GLU A 3 49.559 -13.704 -12.059 1.00 1.00 O ATOM 0 H GLU A 3 45.317 -13.592 -14.086 1.00 1.00 H new ATOM 0 HA GLU A 3 44.965 -15.562 -12.079 1.00 1.00 H new ATOM 0 HB2 GLU A 3 45.847 -12.639 -12.007 1.00 1.00 H new ATOM 0 HB3 GLU A 3 45.920 -13.702 -10.615 1.00 1.00 H new ATOM 0 HG2 GLU A 3 47.396 -15.276 -11.855 1.00 1.00 H new ATOM 0 HG3 GLU A 3 47.270 -14.292 -13.299 1.00 1.00 H new ATOM 45 N ALA A 4 42.885 -13.013 -12.082 1.00 1.00 N ATOM 46 CA ALA A 4 41.635 -12.520 -11.515 1.00 1.00 C ATOM 47 C ALA A 4 40.504 -13.512 -11.768 1.00 1.00 C ATOM 48 O ALA A 4 40.453 -14.159 -12.814 1.00 1.00 O ATOM 49 CB ALA A 4 41.281 -11.166 -12.130 1.00 1.00 C ATOM 0 H ALA A 4 43.240 -12.466 -12.866 1.00 1.00 H new ATOM 0 HA ALA A 4 41.765 -12.405 -10.439 1.00 1.00 H new ATOM 0 HB1 ALA A 4 40.346 -10.805 -11.701 1.00 1.00 H new ATOM 0 HB2 ALA A 4 42.077 -10.452 -11.919 1.00 1.00 H new ATOM 0 HB3 ALA A 4 41.167 -11.275 -13.209 1.00 1.00 H new ATOM 55 N HIS A 5 39.599 -13.629 -10.801 1.00 1.00 N ATOM 56 CA HIS A 5 38.472 -14.549 -10.925 1.00 1.00 C ATOM 57 C HIS A 5 37.541 -14.110 -12.051 1.00 1.00 C ATOM 58 O HIS A 5 37.054 -14.931 -12.829 1.00 1.00 O ATOM 59 CB HIS A 5 37.695 -14.591 -9.608 1.00 1.00 C ATOM 60 CG HIS A 5 38.553 -15.210 -8.539 1.00 1.00 C ATOM 61 ND1 HIS A 5 38.840 -16.566 -8.514 1.00 1.00 N ATOM 62 CD2 HIS A 5 39.193 -14.672 -7.450 1.00 1.00 C ATOM 63 CE1 HIS A 5 39.621 -16.797 -7.443 1.00 1.00 C ATOM 64 NE2 HIS A 5 39.867 -15.675 -6.759 1.00 1.00 N ATOM 0 H HIS A 5 39.623 -13.102 -9.928 1.00 1.00 H new ATOM 0 HA HIS A 5 38.858 -15.542 -11.157 1.00 1.00 H new ATOM 0 HB2 HIS A 5 37.401 -13.583 -9.315 1.00 1.00 H new ATOM 0 HB3 HIS A 5 36.778 -15.167 -9.733 1.00 1.00 H new ATOM 0 HD2 HIS A 5 39.176 -13.629 -7.172 1.00 1.00 H new ATOM 0 HE1 HIS A 5 40.002 -17.770 -7.169 1.00 1.00 H new ATOM 0 HE2 HIS A 5 40.428 -15.575 -5.913 1.00 1.00 H new ATOM 72 N GLN A 6 37.298 -12.811 -12.138 1.00 1.00 N ATOM 73 CA GLN A 6 36.426 -12.281 -13.176 1.00 1.00 C ATOM 74 C GLN A 6 35.170 -13.145 -13.310 1.00 1.00 C ATOM 75 O GLN A 6 34.493 -13.428 -12.322 1.00 1.00 O ATOM 76 CB GLN A 6 37.175 -12.229 -14.510 1.00 1.00 C ATOM 77 CG GLN A 6 38.308 -11.204 -14.416 1.00 1.00 C ATOM 78 CD GLN A 6 39.108 -11.190 -15.714 1.00 1.00 C ATOM 79 OE1 GLN A 6 38.753 -11.877 -16.671 1.00 1.00 O ATOM 80 NE2 GLN A 6 40.173 -10.441 -15.803 1.00 1.00 N ATOM 0 H GLN A 6 37.688 -12.110 -11.509 1.00 1.00 H new ATOM 0 HA GLN A 6 36.124 -11.271 -12.898 1.00 1.00 H new ATOM 0 HB2 GLN A 6 37.578 -13.212 -14.752 1.00 1.00 H new ATOM 0 HB3 GLN A 6 36.490 -11.958 -15.314 1.00 1.00 H new ATOM 0 HG2 GLN A 6 37.898 -10.213 -14.221 1.00 1.00 H new ATOM 0 HG3 GLN A 6 38.962 -11.448 -13.579 1.00 1.00 H new ATOM 0 HE21 GLN A 6 40.465 -9.873 -15.008 1.00 1.00 H new ATOM 0 HE22 GLN A 6 40.714 -10.424 -16.668 1.00 1.00 H new ATOM 89 N ALA A 7 34.856 -13.546 -14.540 1.00 1.00 N ATOM 90 CA ALA A 7 33.672 -14.360 -14.799 1.00 1.00 C ATOM 91 C ALA A 7 33.765 -15.749 -14.162 1.00 1.00 C ATOM 92 O ALA A 7 32.762 -16.274 -13.677 1.00 1.00 O ATOM 93 CB ALA A 7 33.474 -14.511 -16.309 1.00 1.00 C ATOM 0 H ALA A 7 35.404 -13.321 -15.371 1.00 1.00 H new ATOM 0 HA ALA A 7 32.822 -13.847 -14.349 1.00 1.00 H new ATOM 0 HB1 ALA A 7 32.590 -15.119 -16.501 1.00 1.00 H new ATOM 0 HB2 ALA A 7 33.343 -13.527 -16.759 1.00 1.00 H new ATOM 0 HB3 ALA A 7 34.348 -14.995 -16.744 1.00 1.00 H new ATOM 99 N VAL A 8 34.957 -16.352 -14.187 1.00 1.00 N ATOM 100 CA VAL A 8 35.134 -17.695 -13.627 1.00 1.00 C ATOM 101 C VAL A 8 36.239 -17.730 -12.575 1.00 1.00 C ATOM 102 O VAL A 8 37.344 -17.240 -12.800 1.00 1.00 O ATOM 103 CB VAL A 8 35.473 -18.679 -14.748 1.00 1.00 C ATOM 104 CG1 VAL A 8 35.933 -20.006 -14.140 1.00 1.00 C ATOM 105 CG2 VAL A 8 34.232 -18.917 -15.609 1.00 1.00 C ATOM 0 H VAL A 8 35.802 -15.939 -14.582 1.00 1.00 H new ATOM 0 HA VAL A 8 34.199 -17.978 -13.144 1.00 1.00 H new ATOM 0 HB VAL A 8 36.271 -18.266 -15.365 1.00 1.00 H new ATOM 0 HG11 VAL A 8 36.175 -20.708 -14.938 1.00 1.00 H new ATOM 0 HG12 VAL A 8 36.817 -19.837 -13.525 1.00 1.00 H new ATOM 0 HG13 VAL A 8 35.135 -20.419 -13.523 1.00 1.00 H new ATOM 0 HG21 VAL A 8 34.473 -19.618 -16.408 1.00 1.00 H new ATOM 0 HG22 VAL A 8 33.435 -19.330 -14.992 1.00 1.00 H new ATOM 0 HG23 VAL A 8 33.903 -17.972 -16.042 1.00 1.00 H new ATOM 115 N GLY A 9 35.931 -18.333 -11.429 1.00 1.00 N ATOM 116 CA GLY A 9 36.903 -18.442 -10.348 1.00 1.00 C ATOM 117 C GLY A 9 36.315 -19.198 -9.162 1.00 1.00 C ATOM 118 O GLY A 9 35.223 -19.760 -9.251 1.00 1.00 O ATOM 0 H GLY A 9 35.022 -18.750 -11.227 1.00 1.00 H new ATOM 0 HA2 GLY A 9 37.795 -18.956 -10.706 1.00 1.00 H new ATOM 0 HA3 GLY A 9 37.214 -17.446 -10.032 1.00 1.00 H new ATOM 122 N PHE A 10 37.047 -19.209 -8.053 1.00 1.00 N ATOM 123 CA PHE A 10 36.590 -19.900 -6.852 1.00 1.00 C ATOM 124 C PHE A 10 36.975 -19.113 -5.603 1.00 1.00 C ATOM 125 O PHE A 10 37.955 -18.368 -5.604 1.00 1.00 O ATOM 126 CB PHE A 10 37.207 -21.300 -6.792 1.00 1.00 C ATOM 127 CG PHE A 10 38.710 -21.185 -6.695 1.00 1.00 C ATOM 128 CD1 PHE A 10 39.484 -21.150 -7.861 1.00 1.00 C ATOM 129 CD2 PHE A 10 39.329 -21.116 -5.441 1.00 1.00 C ATOM 130 CE1 PHE A 10 40.878 -21.045 -7.773 1.00 1.00 C ATOM 131 CE2 PHE A 10 40.722 -21.010 -5.354 1.00 1.00 C ATOM 132 CZ PHE A 10 41.497 -20.975 -6.519 1.00 1.00 C ATOM 0 H PHE A 10 37.953 -18.751 -7.960 1.00 1.00 H new ATOM 0 HA PHE A 10 35.504 -19.984 -6.891 1.00 1.00 H new ATOM 0 HB2 PHE A 10 36.817 -21.844 -5.932 1.00 1.00 H new ATOM 0 HB3 PHE A 10 36.932 -21.869 -7.680 1.00 1.00 H new ATOM 0 HD1 PHE A 10 39.006 -21.204 -8.828 1.00 1.00 H new ATOM 0 HD2 PHE A 10 38.732 -21.145 -4.541 1.00 1.00 H new ATOM 0 HE1 PHE A 10 41.475 -21.018 -8.672 1.00 1.00 H new ATOM 0 HE2 PHE A 10 41.199 -20.955 -4.387 1.00 1.00 H new ATOM 0 HZ PHE A 10 42.572 -20.894 -6.451 1.00 1.00 H new ATOM 142 N ARG A 11 36.193 -19.280 -4.538 1.00 1.00 N ATOM 143 CA ARG A 11 36.459 -18.575 -3.289 1.00 1.00 C ATOM 144 C ARG A 11 35.526 -19.066 -2.179 1.00 1.00 C ATOM 145 O ARG A 11 34.491 -18.454 -1.916 1.00 1.00 O ATOM 146 CB ARG A 11 36.254 -17.071 -3.490 1.00 1.00 C ATOM 147 CG ARG A 11 36.935 -16.309 -2.351 1.00 1.00 C ATOM 148 CD ARG A 11 36.740 -14.806 -2.552 1.00 1.00 C ATOM 149 NE ARG A 11 37.802 -14.066 -1.878 1.00 1.00 N ATOM 150 CZ ARG A 11 38.102 -12.821 -2.232 1.00 1.00 C ATOM 151 NH1 ARG A 11 37.443 -12.240 -3.197 1.00 1.00 N ATOM 152 NH2 ARG A 11 39.056 -12.180 -1.615 1.00 1.00 N ATOM 0 H ARG A 11 35.377 -19.892 -4.516 1.00 1.00 H new ATOM 0 HA ARG A 11 37.490 -18.774 -2.997 1.00 1.00 H new ATOM 0 HB2 ARG A 11 36.669 -16.761 -4.449 1.00 1.00 H new ATOM 0 HB3 ARG A 11 35.190 -16.838 -3.513 1.00 1.00 H new ATOM 0 HG2 ARG A 11 36.516 -16.616 -1.393 1.00 1.00 H new ATOM 0 HG3 ARG A 11 37.998 -16.548 -2.325 1.00 1.00 H new ATOM 0 HD2 ARG A 11 36.742 -14.571 -3.616 1.00 1.00 H new ATOM 0 HD3 ARG A 11 35.769 -14.502 -2.160 1.00 1.00 H new ATOM 0 HE ARG A 11 38.323 -14.512 -1.123 1.00 1.00 H new ATOM 0 HH11 ARG A 11 36.697 -12.742 -3.680 1.00 1.00 H new ATOM 0 HH12 ARG A 11 37.673 -11.284 -3.469 1.00 1.00 H new ATOM 0 HH21 ARG A 11 39.571 -12.635 -0.861 1.00 1.00 H new ATOM 0 HH22 ARG A 11 39.287 -11.224 -1.886 1.00 1.00 H new ATOM 166 N PRO A 12 35.870 -20.148 -1.525 1.00 1.00 N ATOM 167 CA PRO A 12 35.041 -20.715 -0.418 1.00 1.00 C ATOM 168 C PRO A 12 34.733 -19.674 0.655 1.00 1.00 C ATOM 169 O PRO A 12 33.640 -19.657 1.222 1.00 1.00 O ATOM 170 CB PRO A 12 35.909 -21.840 0.154 1.00 1.00 C ATOM 171 CG PRO A 12 36.839 -22.221 -0.947 1.00 1.00 C ATOM 172 CD PRO A 12 37.076 -20.955 -1.767 1.00 1.00 C ATOM 0 HA PRO A 12 34.070 -21.060 -0.773 1.00 1.00 H new ATOM 0 HB2 PRO A 12 36.458 -21.504 1.034 1.00 1.00 H new ATOM 0 HB3 PRO A 12 35.299 -22.688 0.464 1.00 1.00 H new ATOM 0 HG2 PRO A 12 37.777 -22.606 -0.547 1.00 1.00 H new ATOM 0 HG3 PRO A 12 36.408 -23.009 -1.565 1.00 1.00 H new ATOM 0 HD2 PRO A 12 37.977 -20.433 -1.445 1.00 1.00 H new ATOM 0 HD3 PRO A 12 37.200 -21.182 -2.826 1.00 1.00 H new ATOM 180 N SER A 13 35.704 -18.810 0.930 1.00 1.00 N ATOM 181 CA SER A 13 35.525 -17.769 1.937 1.00 1.00 C ATOM 182 C SER A 13 34.536 -16.717 1.445 1.00 1.00 C ATOM 183 O SER A 13 34.437 -16.455 0.247 1.00 1.00 O ATOM 184 CB SER A 13 36.868 -17.108 2.247 1.00 1.00 C ATOM 185 OG SER A 13 37.635 -17.971 3.076 1.00 1.00 O ATOM 0 H SER A 13 36.616 -18.809 0.474 1.00 1.00 H new ATOM 0 HA SER A 13 35.130 -18.227 2.844 1.00 1.00 H new ATOM 0 HB2 SER A 13 37.406 -16.900 1.322 1.00 1.00 H new ATOM 0 HB3 SER A 13 36.709 -16.152 2.746 1.00 1.00 H new ATOM 0 HG SER A 13 38.498 -17.551 3.276 1.00 1.00 H new ATOM 191 N LEU A 14 33.801 -16.122 2.379 1.00 1.00 N ATOM 192 CA LEU A 14 32.815 -15.104 2.031 1.00 1.00 C ATOM 193 C LEU A 14 33.392 -13.704 2.216 1.00 1.00 C ATOM 194 O LEU A 14 33.995 -13.397 3.245 1.00 1.00 O ATOM 195 CB LEU A 14 31.565 -15.264 2.905 1.00 1.00 C ATOM 196 CG LEU A 14 30.663 -16.370 2.342 1.00 1.00 C ATOM 197 CD1 LEU A 14 30.017 -15.918 1.024 1.00 1.00 C ATOM 198 CD2 LEU A 14 31.492 -17.633 2.092 1.00 1.00 C ATOM 0 H LEU A 14 33.868 -16.325 3.376 1.00 1.00 H new ATOM 0 HA LEU A 14 32.546 -15.235 0.983 1.00 1.00 H new ATOM 0 HB2 LEU A 14 31.856 -15.507 3.927 1.00 1.00 H new ATOM 0 HB3 LEU A 14 31.017 -14.323 2.944 1.00 1.00 H new ATOM 0 HG LEU A 14 29.877 -16.581 3.068 1.00 1.00 H new ATOM 0 HD11 LEU A 14 29.381 -16.715 0.639 1.00 1.00 H new ATOM 0 HD12 LEU A 14 29.415 -15.026 1.201 1.00 1.00 H new ATOM 0 HD13 LEU A 14 30.796 -15.692 0.296 1.00 1.00 H new ATOM 0 HD21 LEU A 14 30.849 -18.417 1.692 1.00 1.00 H new ATOM 0 HD22 LEU A 14 32.284 -17.413 1.376 1.00 1.00 H new ATOM 0 HD23 LEU A 14 31.934 -17.970 3.030 1.00 1.00 H new ATOM 210 N THR A 15 33.204 -12.862 1.205 1.00 1.00 N ATOM 211 CA THR A 15 33.708 -11.492 1.248 1.00 1.00 C ATOM 212 C THR A 15 32.757 -10.584 2.023 1.00 1.00 C ATOM 213 O THR A 15 31.631 -10.970 2.341 1.00 1.00 O ATOM 214 CB THR A 15 33.878 -10.957 -0.176 1.00 1.00 C ATOM 215 OG1 THR A 15 32.610 -10.900 -0.813 1.00 1.00 O ATOM 216 CG2 THR A 15 34.807 -11.883 -0.963 1.00 1.00 C ATOM 0 H THR A 15 32.707 -13.103 0.347 1.00 1.00 H new ATOM 0 HA THR A 15 34.672 -11.499 1.756 1.00 1.00 H new ATOM 0 HB THR A 15 34.311 -9.957 -0.140 1.00 1.00 H new ATOM 0 HG1 THR A 15 32.717 -10.556 -1.724 1.00 1.00 H new ATOM 0 HG21 THR A 15 34.928 -11.501 -1.977 1.00 1.00 H new ATOM 0 HG22 THR A 15 35.780 -11.925 -0.473 1.00 1.00 H new ATOM 0 HG23 THR A 15 34.377 -12.884 -1.001 1.00 1.00 H new ATOM 224 N SER A 16 33.221 -9.373 2.325 1.00 1.00 N ATOM 225 CA SER A 16 32.414 -8.404 3.065 1.00 1.00 C ATOM 226 C SER A 16 32.235 -8.840 4.516 1.00 1.00 C ATOM 227 O SER A 16 31.577 -8.158 5.302 1.00 1.00 O ATOM 228 CB SER A 16 31.042 -8.235 2.408 1.00 1.00 C ATOM 229 OG SER A 16 30.044 -8.780 3.261 1.00 1.00 O ATOM 0 H SER A 16 34.150 -9.039 2.069 1.00 1.00 H new ATOM 0 HA SER A 16 32.940 -7.449 3.047 1.00 1.00 H new ATOM 0 HB2 SER A 16 30.842 -7.180 2.223 1.00 1.00 H new ATOM 0 HB3 SER A 16 31.024 -8.737 1.441 1.00 1.00 H new ATOM 0 HG SER A 16 30.134 -9.756 3.288 1.00 1.00 H new ATOM 235 N ASP A 17 32.831 -9.973 4.871 1.00 1.00 N ATOM 236 CA ASP A 17 32.734 -10.477 6.236 1.00 1.00 C ATOM 237 C ASP A 17 33.909 -9.975 7.069 1.00 1.00 C ATOM 238 O ASP A 17 34.023 -10.286 8.254 1.00 1.00 O ATOM 239 CB ASP A 17 32.717 -12.006 6.233 1.00 1.00 C ATOM 240 CG ASP A 17 31.428 -12.509 5.597 1.00 1.00 C ATOM 241 OD1 ASP A 17 30.513 -11.716 5.451 1.00 1.00 O ATOM 242 OD2 ASP A 17 31.372 -13.681 5.265 1.00 1.00 O ATOM 0 H ASP A 17 33.381 -10.555 4.240 1.00 1.00 H new ATOM 0 HA ASP A 17 31.806 -10.112 6.676 1.00 1.00 H new ATOM 0 HB2 ASP A 17 33.577 -12.387 5.682 1.00 1.00 H new ATOM 0 HB3 ASP A 17 32.800 -12.381 7.253 1.00 1.00 H new ATOM 247 N GLY A 18 34.784 -9.200 6.434 1.00 1.00 N ATOM 248 CA GLY A 18 35.954 -8.662 7.118 1.00 1.00 C ATOM 249 C GLY A 18 35.557 -7.630 8.169 1.00 1.00 C ATOM 250 O GLY A 18 34.434 -7.126 8.171 1.00 1.00 O ATOM 0 H GLY A 18 34.705 -8.932 5.453 1.00 1.00 H new ATOM 0 HA2 GLY A 18 36.505 -9.474 7.593 1.00 1.00 H new ATOM 0 HA3 GLY A 18 36.624 -8.204 6.391 1.00 1.00 H new ATOM 254 N ALA A 19 36.493 -7.324 9.061 1.00 1.00 N ATOM 255 CA ALA A 19 36.249 -6.353 10.124 1.00 1.00 C ATOM 256 C ALA A 19 36.101 -4.944 9.556 1.00 1.00 C ATOM 257 O ALA A 19 36.718 -4.605 8.546 1.00 1.00 O ATOM 258 CB ALA A 19 37.403 -6.380 11.129 1.00 1.00 C ATOM 0 H ALA A 19 37.427 -7.733 9.070 1.00 1.00 H new ATOM 0 HA ALA A 19 35.319 -6.624 10.624 1.00 1.00 H new ATOM 0 HB1 ALA A 19 37.214 -5.653 11.919 1.00 1.00 H new ATOM 0 HB2 ALA A 19 37.483 -7.376 11.564 1.00 1.00 H new ATOM 0 HB3 ALA A 19 38.334 -6.130 10.621 1.00 1.00 H new ATOM 264 N GLU A 20 35.277 -4.134 10.218 1.00 1.00 N ATOM 265 CA GLU A 20 35.043 -2.756 9.792 1.00 1.00 C ATOM 266 C GLU A 20 34.473 -2.703 8.378 1.00 1.00 C ATOM 267 O GLU A 20 34.829 -1.828 7.588 1.00 1.00 O ATOM 268 CB GLU A 20 36.343 -1.946 9.858 1.00 1.00 C ATOM 269 CG GLU A 20 36.767 -1.779 11.318 1.00 1.00 C ATOM 270 CD GLU A 20 38.105 -1.050 11.393 1.00 1.00 C ATOM 271 OE1 GLU A 20 38.624 -0.698 10.347 1.00 1.00 O ATOM 272 OE2 GLU A 20 38.590 -0.855 12.496 1.00 1.00 O ATOM 0 H GLU A 20 34.760 -4.409 11.053 1.00 1.00 H new ATOM 0 HA GLU A 20 34.313 -2.319 10.473 1.00 1.00 H new ATOM 0 HB2 GLU A 20 37.128 -2.452 9.296 1.00 1.00 H new ATOM 0 HB3 GLU A 20 36.199 -0.969 9.396 1.00 1.00 H new ATOM 0 HG2 GLU A 20 36.008 -1.219 11.864 1.00 1.00 H new ATOM 0 HG3 GLU A 20 36.848 -2.755 11.796 1.00 1.00 H new ATOM 279 N VAL A 21 33.581 -3.638 8.068 1.00 1.00 N ATOM 280 CA VAL A 21 32.960 -3.679 6.748 1.00 1.00 C ATOM 281 C VAL A 21 32.120 -2.425 6.522 1.00 1.00 C ATOM 282 O VAL A 21 32.015 -1.928 5.401 1.00 1.00 O ATOM 283 CB VAL A 21 32.073 -4.918 6.625 1.00 1.00 C ATOM 284 CG1 VAL A 21 30.929 -4.833 7.639 1.00 1.00 C ATOM 285 CG2 VAL A 21 31.491 -4.989 5.210 1.00 1.00 C ATOM 0 H VAL A 21 33.274 -4.372 8.706 1.00 1.00 H new ATOM 0 HA VAL A 21 33.746 -3.723 5.994 1.00 1.00 H new ATOM 0 HB VAL A 21 32.668 -5.810 6.822 1.00 1.00 H new ATOM 0 HG11 VAL A 21 30.298 -5.717 7.550 1.00 1.00 H new ATOM 0 HG12 VAL A 21 31.340 -4.780 8.647 1.00 1.00 H new ATOM 0 HG13 VAL A 21 30.334 -3.941 7.443 1.00 1.00 H new ATOM 0 HG21 VAL A 21 30.858 -5.872 5.121 1.00 1.00 H new ATOM 0 HG22 VAL A 21 30.897 -4.096 5.016 1.00 1.00 H new ATOM 0 HG23 VAL A 21 32.303 -5.050 4.485 1.00 1.00 H new ATOM 295 N GLU A 22 31.522 -1.923 7.598 1.00 1.00 N ATOM 296 CA GLU A 22 30.688 -0.728 7.513 1.00 1.00 C ATOM 297 C GLU A 22 31.525 0.487 7.132 1.00 1.00 C ATOM 298 O GLU A 22 31.064 1.364 6.401 1.00 1.00 O ATOM 299 CB GLU A 22 30.001 -0.475 8.856 1.00 1.00 C ATOM 300 CG GLU A 22 28.980 -1.582 9.122 1.00 1.00 C ATOM 301 CD GLU A 22 28.351 -1.389 10.497 1.00 1.00 C ATOM 302 OE1 GLU A 22 28.703 -0.426 11.158 1.00 1.00 O ATOM 303 OE2 GLU A 22 27.527 -2.208 10.871 1.00 1.00 O ATOM 0 H GLU A 22 31.598 -2.322 8.534 1.00 1.00 H new ATOM 0 HA GLU A 22 29.934 -0.890 6.743 1.00 1.00 H new ATOM 0 HB2 GLU A 22 30.741 -0.448 9.656 1.00 1.00 H new ATOM 0 HB3 GLU A 22 29.506 0.496 8.846 1.00 1.00 H new ATOM 0 HG2 GLU A 22 28.207 -1.568 8.354 1.00 1.00 H new ATOM 0 HG3 GLU A 22 29.465 -2.557 9.068 1.00 1.00 H new ATOM 310 N LEU A 23 32.757 0.532 7.631 1.00 1.00 N ATOM 311 CA LEU A 23 33.650 1.647 7.337 1.00 1.00 C ATOM 312 C LEU A 23 34.712 1.223 6.327 1.00 1.00 C ATOM 313 O LEU A 23 35.398 0.222 6.523 1.00 1.00 O ATOM 314 CB LEU A 23 34.328 2.126 8.629 1.00 1.00 C ATOM 315 CG LEU A 23 35.140 3.399 8.359 1.00 1.00 C ATOM 316 CD1 LEU A 23 34.214 4.532 7.908 1.00 1.00 C ATOM 317 CD2 LEU A 23 35.868 3.820 9.638 1.00 1.00 C ATOM 0 H LEU A 23 33.157 -0.185 8.236 1.00 1.00 H new ATOM 0 HA LEU A 23 33.064 2.462 6.912 1.00 1.00 H new ATOM 0 HB2 LEU A 23 33.575 2.321 9.393 1.00 1.00 H new ATOM 0 HB3 LEU A 23 34.981 1.344 9.017 1.00 1.00 H new ATOM 0 HG LEU A 23 35.864 3.195 7.570 1.00 1.00 H new ATOM 0 HD11 LEU A 23 34.803 5.430 7.720 1.00 1.00 H new ATOM 0 HD12 LEU A 23 33.698 4.238 6.994 1.00 1.00 H new ATOM 0 HD13 LEU A 23 33.481 4.736 8.689 1.00 1.00 H new ATOM 0 HD21 LEU A 23 36.445 4.725 9.447 1.00 1.00 H new ATOM 0 HD22 LEU A 23 35.139 4.014 10.425 1.00 1.00 H new ATOM 0 HD23 LEU A 23 36.539 3.021 9.954 1.00 1.00 H new ATOM 329 N SER A 24 34.813 1.982 5.235 1.00 1.00 N ATOM 330 CA SER A 24 35.774 1.682 4.167 1.00 1.00 C ATOM 331 C SER A 24 37.222 1.615 4.680 1.00 1.00 C ATOM 332 O SER A 24 38.157 1.884 3.925 1.00 1.00 O ATOM 333 CB SER A 24 35.678 2.748 3.074 1.00 1.00 C ATOM 334 OG SER A 24 36.075 4.005 3.607 1.00 1.00 O ATOM 0 H SER A 24 34.242 2.810 5.065 1.00 1.00 H new ATOM 0 HA SER A 24 35.517 0.700 3.770 1.00 1.00 H new ATOM 0 HB2 SER A 24 36.315 2.480 2.231 1.00 1.00 H new ATOM 0 HB3 SER A 24 34.657 2.806 2.696 1.00 1.00 H new ATOM 0 HG SER A 24 36.016 4.690 2.908 1.00 1.00 H new ATOM 340 N ALA A 25 37.414 1.280 5.953 1.00 1.00 N ATOM 341 CA ALA A 25 38.755 1.208 6.518 1.00 1.00 C ATOM 342 C ALA A 25 39.690 0.368 5.645 1.00 1.00 C ATOM 343 O ALA A 25 40.806 0.792 5.350 1.00 1.00 O ATOM 344 CB ALA A 25 38.700 0.618 7.929 1.00 1.00 C ATOM 0 H ALA A 25 36.664 1.056 6.607 1.00 1.00 H new ATOM 0 HA ALA A 25 39.151 2.223 6.560 1.00 1.00 H new ATOM 0 HB1 ALA A 25 39.707 0.569 8.342 1.00 1.00 H new ATOM 0 HB2 ALA A 25 38.078 1.250 8.563 1.00 1.00 H new ATOM 0 HB3 ALA A 25 38.275 -0.385 7.888 1.00 1.00 H new ATOM 350 N PRO A 26 39.276 -0.808 5.231 1.00 1.00 N ATOM 351 CA PRO A 26 40.132 -1.689 4.381 1.00 1.00 C ATOM 352 C PRO A 26 40.653 -0.957 3.147 1.00 1.00 C ATOM 353 O PRO A 26 41.820 -1.089 2.784 1.00 1.00 O ATOM 354 CB PRO A 26 39.197 -2.837 3.984 1.00 1.00 C ATOM 355 CG PRO A 26 38.142 -2.867 5.039 1.00 1.00 C ATOM 356 CD PRO A 26 37.972 -1.427 5.524 1.00 1.00 C ATOM 0 HA PRO A 26 41.023 -2.028 4.909 1.00 1.00 H new ATOM 0 HB2 PRO A 26 38.763 -2.668 2.998 1.00 1.00 H new ATOM 0 HB3 PRO A 26 39.734 -3.784 3.938 1.00 1.00 H new ATOM 0 HG2 PRO A 26 37.205 -3.255 4.640 1.00 1.00 H new ATOM 0 HG3 PRO A 26 38.434 -3.521 5.861 1.00 1.00 H new ATOM 0 HD2 PRO A 26 37.161 -0.921 5.001 1.00 1.00 H new ATOM 0 HD3 PRO A 26 37.739 -1.387 6.588 1.00 1.00 H new ATOM 364 N VAL A 27 39.796 -0.150 2.536 1.00 1.00 N ATOM 365 CA VAL A 27 40.200 0.640 1.378 1.00 1.00 C ATOM 366 C VAL A 27 41.229 1.678 1.811 1.00 1.00 C ATOM 367 O VAL A 27 42.232 1.902 1.136 1.00 1.00 O ATOM 368 CB VAL A 27 38.987 1.336 0.763 1.00 1.00 C ATOM 369 CG1 VAL A 27 39.448 2.301 -0.330 1.00 1.00 C ATOM 370 CG2 VAL A 27 38.050 0.283 0.162 1.00 1.00 C ATOM 0 H VAL A 27 38.824 -0.025 2.819 1.00 1.00 H new ATOM 0 HA VAL A 27 40.639 -0.020 0.629 1.00 1.00 H new ATOM 0 HB VAL A 27 38.457 1.896 1.534 1.00 1.00 H new ATOM 0 HG11 VAL A 27 38.581 2.796 -0.767 1.00 1.00 H new ATOM 0 HG12 VAL A 27 40.114 3.048 0.102 1.00 1.00 H new ATOM 0 HG13 VAL A 27 39.978 1.747 -1.105 1.00 1.00 H new ATOM 0 HG21 VAL A 27 37.183 0.776 -0.278 1.00 1.00 H new ATOM 0 HG22 VAL A 27 38.579 -0.277 -0.609 1.00 1.00 H new ATOM 0 HG23 VAL A 27 37.720 -0.400 0.945 1.00 1.00 H new ATOM 380 N LEU A 28 40.963 2.310 2.944 1.00 1.00 N ATOM 381 CA LEU A 28 41.862 3.334 3.465 1.00 1.00 C ATOM 382 C LEU A 28 43.237 2.740 3.770 1.00 1.00 C ATOM 383 O LEU A 28 44.262 3.356 3.483 1.00 1.00 O ATOM 384 CB LEU A 28 41.277 3.939 4.742 1.00 1.00 C ATOM 385 CG LEU A 28 40.034 4.774 4.399 1.00 1.00 C ATOM 386 CD1 LEU A 28 39.333 5.195 5.691 1.00 1.00 C ATOM 387 CD2 LEU A 28 40.436 6.027 3.607 1.00 1.00 C ATOM 0 H LEU A 28 40.138 2.135 3.518 1.00 1.00 H new ATOM 0 HA LEU A 28 41.973 4.110 2.708 1.00 1.00 H new ATOM 0 HB2 LEU A 28 41.013 3.147 5.443 1.00 1.00 H new ATOM 0 HB3 LEU A 28 42.022 4.564 5.234 1.00 1.00 H new ATOM 0 HG LEU A 28 39.360 4.171 3.791 1.00 1.00 H new ATOM 0 HD11 LEU A 28 38.451 5.788 5.450 1.00 1.00 H new ATOM 0 HD12 LEU A 28 39.033 4.307 6.248 1.00 1.00 H new ATOM 0 HD13 LEU A 28 40.015 5.790 6.298 1.00 1.00 H new ATOM 0 HD21 LEU A 28 39.545 6.609 3.371 1.00 1.00 H new ATOM 0 HD22 LEU A 28 41.117 6.632 4.205 1.00 1.00 H new ATOM 0 HD23 LEU A 28 40.931 5.730 2.682 1.00 1.00 H new ATOM 399 N GLN A 29 43.249 1.541 4.351 1.00 1.00 N ATOM 400 CA GLN A 29 44.513 0.881 4.682 1.00 1.00 C ATOM 401 C GLN A 29 45.305 0.585 3.412 1.00 1.00 C ATOM 402 O GLN A 29 46.521 0.780 3.375 1.00 1.00 O ATOM 403 CB GLN A 29 44.243 -0.430 5.443 1.00 1.00 C ATOM 404 CG GLN A 29 43.610 -0.126 6.807 1.00 1.00 C ATOM 405 CD GLN A 29 44.582 0.657 7.687 1.00 1.00 C ATOM 406 OE1 GLN A 29 45.724 0.237 7.879 1.00 1.00 O ATOM 407 NE2 GLN A 29 44.197 1.780 8.232 1.00 1.00 N ATOM 0 H GLN A 29 42.412 1.013 4.599 1.00 1.00 H new ATOM 0 HA GLN A 29 45.097 1.549 5.316 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.580 -1.068 4.860 1.00 1.00 H new ATOM 0 HB3 GLN A 29 45.175 -0.979 5.580 1.00 1.00 H new ATOM 0 HG2 GLN A 29 42.693 0.447 6.669 1.00 1.00 H new ATOM 0 HG3 GLN A 29 43.333 -1.057 7.301 1.00 1.00 H new ATOM 0 HE21 GLN A 29 43.251 2.127 8.072 1.00 1.00 H new ATOM 0 HE22 GLN A 29 44.842 2.310 8.817 1.00 1.00 H new ATOM 416 N GLU A 30 44.619 0.130 2.366 1.00 1.00 N ATOM 417 CA GLU A 30 45.294 -0.163 1.106 1.00 1.00 C ATOM 418 C GLU A 30 45.832 1.123 0.485 1.00 1.00 C ATOM 419 O GLU A 30 46.944 1.145 -0.035 1.00 1.00 O ATOM 420 CB GLU A 30 44.340 -0.836 0.132 1.00 1.00 C ATOM 421 CG GLU A 30 43.988 -2.228 0.653 1.00 1.00 C ATOM 422 CD GLU A 30 42.960 -2.894 -0.252 1.00 1.00 C ATOM 423 OE1 GLU A 30 42.579 -2.284 -1.237 1.00 1.00 O ATOM 424 OE2 GLU A 30 42.572 -4.009 0.052 1.00 1.00 O ATOM 0 H GLU A 30 43.613 -0.041 2.365 1.00 1.00 H new ATOM 0 HA GLU A 30 46.124 -0.839 1.313 1.00 1.00 H new ATOM 0 HB2 GLU A 30 43.436 -0.238 0.018 1.00 1.00 H new ATOM 0 HB3 GLU A 30 44.800 -0.909 -0.854 1.00 1.00 H new ATOM 0 HG2 GLU A 30 44.888 -2.841 0.704 1.00 1.00 H new ATOM 0 HG3 GLU A 30 43.595 -2.154 1.667 1.00 1.00 H new ATOM 431 N ILE A 31 45.058 2.203 0.561 1.00 1.00 N ATOM 432 CA ILE A 31 45.509 3.484 0.011 1.00 1.00 C ATOM 433 C ILE A 31 46.745 3.971 0.775 1.00 1.00 C ATOM 434 O ILE A 31 47.701 4.470 0.156 1.00 1.00 O ATOM 435 CB ILE A 31 44.394 4.527 0.105 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.261 4.140 -0.856 1.00 1.00 C ATOM 437 CG2 ILE A 31 44.968 5.887 -0.289 1.00 1.00 C ATOM 438 CD1 ILE A 31 42.034 5.001 -0.570 1.00 1.00 C ATOM 0 H ILE A 31 44.132 2.221 0.989 1.00 1.00 H new ATOM 0 HA ILE A 31 45.767 3.343 -1.039 1.00 1.00 H new ATOM 0 HB ILE A 31 44.000 4.574 1.120 1.00 1.00 H new ATOM 0 HG12 ILE A 31 43.583 4.278 -1.888 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.014 3.085 -0.737 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.186 6.644 -0.228 1.00 1.00 H new ATOM 0 HG22 ILE A 31 45.780 6.149 0.389 1.00 1.00 H new ATOM 0 HG23 ILE A 31 45.348 5.840 -1.310 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.230 4.726 -1.252 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.709 4.841 0.458 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.286 6.052 -0.711 1.00 1.00 H new ATOM 450 N TYR A 32 46.701 3.843 2.113 1.00 1.00 N ATOM 451 CA TYR A 32 47.832 4.271 2.961 1.00 1.00 C ATOM 452 C TYR A 32 49.080 3.445 2.606 1.00 1.00 C ATOM 453 O TYR A 32 50.209 3.962 2.452 1.00 1.00 O ATOM 454 CB TYR A 32 47.489 4.060 4.430 1.00 1.00 C ATOM 455 CG TYR A 32 48.700 4.424 5.247 1.00 1.00 C ATOM 456 CD1 TYR A 32 49.014 5.770 5.475 1.00 1.00 C ATOM 457 CD2 TYR A 32 49.504 3.413 5.774 1.00 1.00 C ATOM 458 CE1 TYR A 32 50.136 6.099 6.237 1.00 1.00 C ATOM 459 CE2 TYR A 32 50.626 3.746 6.541 1.00 1.00 C ATOM 460 CZ TYR A 32 50.939 5.087 6.770 1.00 1.00 C ATOM 461 OH TYR A 32 52.024 5.415 7.546 1.00 1.00 O ATOM 0 H TYR A 32 45.910 3.454 2.625 1.00 1.00 H new ATOM 0 HA TYR A 32 48.029 5.329 2.786 1.00 1.00 H new ATOM 0 HB2 TYR A 32 46.637 4.678 4.715 1.00 1.00 H new ATOM 0 HB3 TYR A 32 47.205 3.023 4.610 1.00 1.00 H new ATOM 0 HD1 TYR A 32 48.391 6.550 5.063 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.261 2.377 5.591 1.00 1.00 H new ATOM 0 HE1 TYR A 32 50.384 7.135 6.415 1.00 1.00 H new ATOM 0 HE2 TYR A 32 51.249 2.967 6.955 1.00 1.00 H new ATOM 0 HH TYR A 32 52.476 4.596 7.839 1.00 1.00 H new ATOM 471 N LEU A 33 48.882 2.121 2.470 1.00 1.00 N ATOM 472 CA LEU A 33 50.030 1.256 2.119 1.00 1.00 C ATOM 473 C LEU A 33 50.590 1.631 0.732 1.00 1.00 C ATOM 474 O LEU A 33 51.809 1.657 0.497 1.00 1.00 O ATOM 475 CB LEU A 33 49.639 -0.220 2.148 1.00 1.00 C ATOM 476 CG LEU A 33 49.405 -0.678 3.590 1.00 1.00 C ATOM 477 CD1 LEU A 33 48.835 -2.090 3.554 1.00 1.00 C ATOM 478 CD2 LEU A 33 50.734 -0.683 4.375 1.00 1.00 C ATOM 0 H LEU A 33 47.989 1.643 2.590 1.00 1.00 H new ATOM 0 HA LEU A 33 50.807 1.417 2.866 1.00 1.00 H new ATOM 0 HB2 LEU A 33 48.736 -0.376 1.558 1.00 1.00 H new ATOM 0 HB3 LEU A 33 50.425 -0.821 1.691 1.00 1.00 H new ATOM 0 HG LEU A 33 48.713 0.004 4.084 1.00 1.00 H new ATOM 0 HD11 LEU A 33 48.660 -2.438 4.572 1.00 1.00 H new ATOM 0 HD12 LEU A 33 47.894 -2.089 3.004 1.00 1.00 H new ATOM 0 HD13 LEU A 33 49.543 -2.756 3.060 1.00 1.00 H new ATOM 0 HD21 LEU A 33 50.551 -1.011 5.398 1.00 1.00 H new ATOM 0 HD22 LEU A 33 51.437 -1.364 3.896 1.00 1.00 H new ATOM 0 HD23 LEU A 33 51.154 0.323 4.386 1.00 1.00 H new ATOM 490 N SER A 34 49.667 1.914 -0.189 1.00 1.00 N ATOM 491 CA SER A 34 50.060 2.276 -1.548 1.00 1.00 C ATOM 492 C SER A 34 50.782 3.606 -1.560 1.00 1.00 C ATOM 493 O SER A 34 51.751 3.794 -2.301 1.00 1.00 O ATOM 494 CB SER A 34 48.825 2.362 -2.420 1.00 1.00 C ATOM 495 OG SER A 34 48.296 1.054 -2.590 1.00 1.00 O ATOM 0 H SER A 34 48.661 1.900 -0.022 1.00 1.00 H new ATOM 0 HA SER A 34 50.735 1.512 -1.933 1.00 1.00 H new ATOM 0 HB2 SER A 34 48.082 3.013 -1.960 1.00 1.00 H new ATOM 0 HB3 SER A 34 49.075 2.797 -3.388 1.00 1.00 H new ATOM 0 HG SER A 34 47.744 0.821 -1.814 1.00 1.00 H new ATOM 501 N GLY A 35 50.292 4.529 -0.743 1.00 1.00 N ATOM 502 CA GLY A 35 50.884 5.854 -0.655 1.00 1.00 C ATOM 503 C GLY A 35 52.306 5.779 -0.118 1.00 1.00 C ATOM 504 O GLY A 35 53.178 6.517 -0.571 1.00 1.00 O ATOM 0 H GLY A 35 49.487 4.383 -0.133 1.00 1.00 H new ATOM 0 HA2 GLY A 35 50.887 6.321 -1.640 1.00 1.00 H new ATOM 0 HA3 GLY A 35 50.278 6.485 -0.005 1.00 1.00 H new ATOM 508 N LEU A 36 52.547 4.896 0.846 1.00 1.00 N ATOM 509 CA LEU A 36 53.878 4.758 1.430 1.00 1.00 C ATOM 510 C LEU A 36 54.876 4.332 0.359 1.00 1.00 C ATOM 511 O LEU A 36 55.987 4.861 0.299 1.00 1.00 O ATOM 512 CB LEU A 36 53.849 3.711 2.557 1.00 1.00 C ATOM 513 CG LEU A 36 55.248 3.538 3.174 1.00 1.00 C ATOM 514 CD1 LEU A 36 55.762 4.876 3.703 1.00 1.00 C ATOM 515 CD2 LEU A 36 55.172 2.542 4.333 1.00 1.00 C ATOM 0 H LEU A 36 51.844 4.269 1.238 1.00 1.00 H new ATOM 0 HA LEU A 36 54.185 5.720 1.841 1.00 1.00 H new ATOM 0 HB2 LEU A 36 53.142 4.018 3.327 1.00 1.00 H new ATOM 0 HB3 LEU A 36 53.498 2.756 2.165 1.00 1.00 H new ATOM 0 HG LEU A 36 55.928 3.170 2.406 1.00 1.00 H new ATOM 0 HD11 LEU A 36 56.753 4.739 4.137 1.00 1.00 H new ATOM 0 HD12 LEU A 36 55.820 5.593 2.884 1.00 1.00 H new ATOM 0 HD13 LEU A 36 55.080 5.252 4.466 1.00 1.00 H new ATOM 0 HD21 LEU A 36 56.162 2.418 4.772 1.00 1.00 H new ATOM 0 HD22 LEU A 36 54.484 2.917 5.091 1.00 1.00 H new ATOM 0 HD23 LEU A 36 54.816 1.580 3.964 1.00 1.00 H new ATOM 527 N ARG A 37 54.480 3.392 -0.493 1.00 1.00 N ATOM 528 CA ARG A 37 55.369 2.933 -1.555 1.00 1.00 C ATOM 529 C ARG A 37 55.691 4.080 -2.515 1.00 1.00 C ATOM 530 O ARG A 37 56.836 4.255 -2.929 1.00 1.00 O ATOM 531 CB ARG A 37 54.713 1.790 -2.330 1.00 1.00 C ATOM 532 CG ARG A 37 54.667 0.537 -1.453 1.00 1.00 C ATOM 533 CD ARG A 37 53.978 -0.595 -2.218 1.00 1.00 C ATOM 534 NE ARG A 37 53.929 -1.800 -1.400 1.00 1.00 N ATOM 535 CZ ARG A 37 53.650 -2.982 -1.937 1.00 1.00 C ATOM 536 NH1 ARG A 37 53.415 -3.078 -3.218 1.00 1.00 N ATOM 537 NH2 ARG A 37 53.607 -4.046 -1.182 1.00 1.00 N ATOM 0 H ARG A 37 53.566 2.940 -0.471 1.00 1.00 H new ATOM 0 HA ARG A 37 56.294 2.579 -1.101 1.00 1.00 H new ATOM 0 HB2 ARG A 37 53.704 2.073 -2.631 1.00 1.00 H new ATOM 0 HB3 ARG A 37 55.273 1.587 -3.243 1.00 1.00 H new ATOM 0 HG2 ARG A 37 55.677 0.239 -1.173 1.00 1.00 H new ATOM 0 HG3 ARG A 37 54.128 0.746 -0.529 1.00 1.00 H new ATOM 0 HD2 ARG A 37 52.968 -0.294 -2.495 1.00 1.00 H new ATOM 0 HD3 ARG A 37 54.516 -0.797 -3.144 1.00 1.00 H new ATOM 0 HE ARG A 37 54.112 -1.734 -0.399 1.00 1.00 H new ATOM 0 HH11 ARG A 37 53.446 -2.245 -3.806 1.00 1.00 H new ATOM 0 HH12 ARG A 37 53.201 -3.986 -3.631 1.00 1.00 H new ATOM 0 HH21 ARG A 37 53.788 -3.969 -0.181 1.00 1.00 H new ATOM 0 HH22 ARG A 37 53.393 -4.955 -1.593 1.00 1.00 H new ATOM 551 N SER A 38 54.679 4.878 -2.832 1.00 1.00 N ATOM 552 CA SER A 38 54.854 6.034 -3.710 1.00 1.00 C ATOM 553 C SER A 38 55.659 7.133 -3.012 1.00 1.00 C ATOM 554 O SER A 38 56.466 7.824 -3.639 1.00 1.00 O ATOM 555 CB SER A 38 53.490 6.581 -4.119 1.00 1.00 C ATOM 556 OG SER A 38 53.668 7.677 -5.007 1.00 1.00 O ATOM 0 H SER A 38 53.725 4.747 -2.495 1.00 1.00 H new ATOM 0 HA SER A 38 55.402 5.713 -4.596 1.00 1.00 H new ATOM 0 HB2 SER A 38 52.902 5.800 -4.601 1.00 1.00 H new ATOM 0 HB3 SER A 38 52.934 6.900 -3.237 1.00 1.00 H new ATOM 0 HG SER A 38 52.793 8.029 -5.272 1.00 1.00 H new ATOM 562 N TRP A 39 55.417 7.295 -1.713 1.00 1.00 N ATOM 563 CA TRP A 39 56.098 8.319 -0.922 1.00 1.00 C ATOM 564 C TRP A 39 57.614 8.156 -0.953 1.00 1.00 C ATOM 565 O TRP A 39 58.344 9.144 -0.905 1.00 1.00 O ATOM 566 CB TRP A 39 55.623 8.272 0.533 1.00 1.00 C ATOM 567 CG TRP A 39 54.230 8.820 0.650 1.00 1.00 C ATOM 568 CD1 TRP A 39 53.396 9.097 -0.384 1.00 1.00 C ATOM 569 CD2 TRP A 39 53.501 9.175 1.862 1.00 1.00 C ATOM 570 NE1 TRP A 39 52.207 9.592 0.120 1.00 1.00 N ATOM 571 CE2 TRP A 39 52.224 9.661 1.498 1.00 1.00 C ATOM 572 CE3 TRP A 39 53.823 9.120 3.231 1.00 1.00 C ATOM 573 CZ2 TRP A 39 51.299 10.079 2.454 1.00 1.00 C ATOM 574 CZ3 TRP A 39 52.894 9.540 4.196 1.00 1.00 C ATOM 575 CH2 TRP A 39 51.634 10.019 3.808 1.00 1.00 C ATOM 0 H TRP A 39 54.753 6.729 -1.184 1.00 1.00 H new ATOM 0 HA TRP A 39 55.847 9.281 -1.369 1.00 1.00 H new ATOM 0 HB2 TRP A 39 55.648 7.245 0.897 1.00 1.00 H new ATOM 0 HB3 TRP A 39 56.301 8.849 1.162 1.00 1.00 H new ATOM 0 HD1 TRP A 39 53.624 8.954 -1.430 1.00 1.00 H new ATOM 0 HE1 TRP A 39 51.414 9.872 -0.457 1.00 1.00 H new ATOM 0 HE3 TRP A 39 54.790 8.753 3.541 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 50.330 10.447 2.149 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 53.151 9.494 5.244 1.00 1.00 H new ATOM 0 HH2 TRP A 39 50.924 10.341 4.556 1.00 1.00 H new ATOM 586 N LYS A 40 58.095 6.921 -1.016 1.00 1.00 N ATOM 587 CA LYS A 40 59.537 6.695 -1.024 1.00 1.00 C ATOM 588 C LYS A 40 60.176 7.428 -2.199 1.00 1.00 C ATOM 589 O LYS A 40 61.247 8.016 -2.038 1.00 1.00 O ATOM 590 CB LYS A 40 59.834 5.197 -1.137 1.00 1.00 C ATOM 591 CG LYS A 40 59.394 4.488 0.145 1.00 1.00 C ATOM 592 CD LYS A 40 59.675 2.990 0.021 1.00 1.00 C ATOM 593 CE LYS A 40 59.240 2.279 1.305 1.00 1.00 C ATOM 594 NZ LYS A 40 59.508 0.818 1.180 1.00 1.00 N ATOM 0 H LYS A 40 57.524 6.077 -1.061 1.00 1.00 H new ATOM 0 HA LYS A 40 59.954 7.076 -0.092 1.00 1.00 H new ATOM 0 HB2 LYS A 40 59.310 4.776 -1.995 1.00 1.00 H new ATOM 0 HB3 LYS A 40 60.899 5.039 -1.305 1.00 1.00 H new ATOM 0 HG2 LYS A 40 59.927 4.899 1.002 1.00 1.00 H new ATOM 0 HG3 LYS A 40 58.331 4.656 0.320 1.00 1.00 H new ATOM 0 HD2 LYS A 40 59.139 2.579 -0.834 1.00 1.00 H new ATOM 0 HD3 LYS A 40 60.737 2.822 -0.158 1.00 1.00 H new ATOM 0 HE2 LYS A 40 59.780 2.687 2.160 1.00 1.00 H new ATOM 0 HE3 LYS A 40 58.179 2.451 1.487 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 59.212 0.335 2.052 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 58.974 0.435 0.374 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 60.525 0.663 1.026 1.00 1.00 H new ATOM 608 N ARG A 41 59.554 7.426 -3.368 1.00 1.00 N ATOM 609 CA ARG A 41 60.155 8.135 -4.493 1.00 1.00 C ATOM 610 C ARG A 41 60.296 9.628 -4.167 1.00 1.00 C ATOM 611 O ARG A 41 61.322 10.260 -4.409 1.00 1.00 O ATOM 612 CB ARG A 41 59.291 7.956 -5.743 1.00 1.00 C ATOM 613 CG ARG A 41 59.973 8.619 -6.942 1.00 1.00 C ATOM 614 CD ARG A 41 59.123 8.404 -8.196 1.00 1.00 C ATOM 615 NE ARG A 41 57.845 9.095 -8.066 1.00 1.00 N ATOM 616 CZ ARG A 41 56.902 8.977 -8.994 1.00 1.00 C ATOM 617 NH1 ARG A 41 57.111 8.233 -10.047 1.00 1.00 N ATOM 618 NH2 ARG A 41 55.767 9.607 -8.853 1.00 1.00 N ATOM 0 H ARG A 41 58.667 6.961 -3.562 1.00 1.00 H new ATOM 0 HA ARG A 41 61.146 7.721 -4.679 1.00 1.00 H new ATOM 0 HB2 ARG A 41 59.137 6.895 -5.941 1.00 1.00 H new ATOM 0 HB3 ARG A 41 58.307 8.397 -5.583 1.00 1.00 H new ATOM 0 HG2 ARG A 41 60.103 9.685 -6.756 1.00 1.00 H new ATOM 0 HG3 ARG A 41 60.968 8.197 -7.087 1.00 1.00 H new ATOM 0 HD2 ARG A 41 59.656 8.773 -9.072 1.00 1.00 H new ATOM 0 HD3 ARG A 41 58.954 7.338 -8.351 1.00 1.00 H new ATOM 0 HE ARG A 41 57.672 9.679 -7.248 1.00 1.00 H new ATOM 0 HH11 ARG A 41 57.999 7.742 -10.157 1.00 1.00 H new ATOM 0 HH12 ARG A 41 56.387 8.143 -10.759 1.00 1.00 H new ATOM 0 HH21 ARG A 41 55.605 10.189 -8.031 1.00 1.00 H new ATOM 0 HH22 ARG A 41 55.042 9.517 -9.565 1.00 1.00 H new ATOM 632 N HIS A 42 59.212 10.142 -3.592 1.00 1.00 N ATOM 633 CA HIS A 42 59.122 11.544 -3.175 1.00 1.00 C ATOM 634 C HIS A 42 59.992 11.814 -1.942 1.00 1.00 C ATOM 635 O HIS A 42 60.545 12.902 -1.780 1.00 1.00 O ATOM 636 CB HIS A 42 57.668 11.900 -2.861 1.00 1.00 C ATOM 637 CG HIS A 42 56.849 11.826 -4.122 1.00 1.00 C ATOM 638 ND1 HIS A 42 56.944 12.781 -5.121 1.00 1.00 N ATOM 639 CD2 HIS A 42 55.915 10.918 -4.559 1.00 1.00 C ATOM 640 CE1 HIS A 42 56.091 12.431 -6.100 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.438 11.303 -5.809 1.00 1.00 N ATOM 0 H HIS A 42 58.369 9.600 -3.401 1.00 1.00 H new ATOM 0 HA HIS A 42 59.486 12.163 -3.995 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.268 11.214 -2.114 1.00 1.00 H new ATOM 0 HB3 HIS A 42 57.611 12.902 -2.436 1.00 1.00 H new ATOM 0 HD1 HIS A 42 57.551 13.601 -5.115 1.00 1.00 H new ATOM 0 HD2 HIS A 42 55.599 10.040 -4.016 1.00 1.00 H new ATOM 0 HE1 HIS A 42 55.951 12.994 -7.011 1.00 1.00 H new ATOM 649 N LEU A 43 60.094 10.809 -1.080 1.00 1.00 N ATOM 650 CA LEU A 43 60.874 10.882 0.158 1.00 1.00 C ATOM 651 C LEU A 43 62.358 10.623 -0.109 1.00 1.00 C ATOM 652 O LEU A 43 63.181 10.716 0.800 1.00 1.00 O ATOM 653 CB LEU A 43 60.349 9.870 1.184 1.00 1.00 C ATOM 654 CG LEU A 43 60.761 10.279 2.608 1.00 1.00 C ATOM 655 CD1 LEU A 43 60.045 11.573 3.022 1.00 1.00 C ATOM 656 CD2 LEU A 43 60.377 9.161 3.578 1.00 1.00 C ATOM 0 H LEU A 43 59.634 9.909 -1.219 1.00 1.00 H new ATOM 0 HA LEU A 43 60.765 11.889 0.560 1.00 1.00 H new ATOM 0 HB2 LEU A 43 59.263 9.807 1.118 1.00 1.00 H new ATOM 0 HB3 LEU A 43 60.740 8.878 0.957 1.00 1.00 H new ATOM 0 HG LEU A 43 61.838 10.448 2.632 1.00 1.00 H new ATOM 0 HD11 LEU A 43 60.347 11.849 4.032 1.00 1.00 H new ATOM 0 HD12 LEU A 43 60.312 12.373 2.332 1.00 1.00 H new ATOM 0 HD13 LEU A 43 58.967 11.416 2.996 1.00 1.00 H new ATOM 0 HD21 LEU A 43 60.666 9.443 4.591 1.00 1.00 H new ATOM 0 HD22 LEU A 43 59.300 9.000 3.539 1.00 1.00 H new ATOM 0 HD23 LEU A 43 60.892 8.242 3.296 1.00 1.00 H new ATOM 668 N SER A 44 62.700 10.242 -1.336 1.00 1.00 N ATOM 669 CA SER A 44 64.081 9.908 -1.666 1.00 1.00 C ATOM 670 C SER A 44 65.040 11.053 -1.359 1.00 1.00 C ATOM 671 O SER A 44 66.114 10.812 -0.805 1.00 1.00 O ATOM 672 CB SER A 44 64.184 9.548 -3.148 1.00 1.00 C ATOM 673 OG SER A 44 65.549 9.558 -3.539 1.00 1.00 O ATOM 0 H SER A 44 62.045 10.157 -2.113 1.00 1.00 H new ATOM 0 HA SER A 44 64.367 9.058 -1.047 1.00 1.00 H new ATOM 0 HB2 SER A 44 63.750 8.564 -3.326 1.00 1.00 H new ATOM 0 HB3 SER A 44 63.617 10.260 -3.747 1.00 1.00 H new ATOM 0 HG SER A 44 65.619 9.326 -4.489 1.00 1.00 H new ATOM 679 N ARG A 45 64.706 12.286 -1.726 1.00 1.00 N ATOM 680 CA ARG A 45 65.636 13.381 -1.466 1.00 1.00 C ATOM 681 C ARG A 45 65.912 13.514 0.028 1.00 1.00 C ATOM 682 O ARG A 45 67.068 13.580 0.449 1.00 1.00 O ATOM 683 CB ARG A 45 65.057 14.695 -1.995 1.00 1.00 C ATOM 684 CG ARG A 45 65.083 14.685 -3.525 1.00 1.00 C ATOM 685 CD ARG A 45 64.467 15.980 -4.057 1.00 1.00 C ATOM 686 NE ARG A 45 64.484 15.984 -5.516 1.00 1.00 N ATOM 687 CZ ARG A 45 65.509 16.491 -6.196 1.00 1.00 C ATOM 688 NH1 ARG A 45 66.543 16.976 -5.563 1.00 1.00 N ATOM 689 NH2 ARG A 45 65.486 16.498 -7.500 1.00 1.00 N ATOM 0 H ARG A 45 63.834 12.548 -2.186 1.00 1.00 H new ATOM 0 HA ARG A 45 66.573 13.161 -1.978 1.00 1.00 H new ATOM 0 HB2 ARG A 45 64.035 14.824 -1.639 1.00 1.00 H new ATOM 0 HB3 ARG A 45 65.635 15.538 -1.616 1.00 1.00 H new ATOM 0 HG2 ARG A 45 66.108 14.585 -3.881 1.00 1.00 H new ATOM 0 HG3 ARG A 45 64.530 13.825 -3.903 1.00 1.00 H new ATOM 0 HD2 ARG A 45 63.443 16.078 -3.698 1.00 1.00 H new ATOM 0 HD3 ARG A 45 65.022 16.838 -3.677 1.00 1.00 H new ATOM 0 HE ARG A 45 63.693 15.590 -6.025 1.00 1.00 H new ATOM 0 HH11 ARG A 45 66.567 16.967 -4.543 1.00 1.00 H new ATOM 0 HH12 ARG A 45 67.327 17.364 -6.088 1.00 1.00 H new ATOM 0 HH21 ARG A 45 64.682 16.115 -7.998 1.00 1.00 H new ATOM 0 HH22 ARG A 45 66.272 16.887 -8.022 1.00 1.00 H new ATOM 703 N PHE A 46 64.851 13.546 0.828 1.00 1.00 N ATOM 704 CA PHE A 46 64.987 13.666 2.277 1.00 1.00 C ATOM 705 C PHE A 46 65.641 12.423 2.870 1.00 1.00 C ATOM 706 O PHE A 46 66.464 12.512 3.782 1.00 1.00 O ATOM 707 CB PHE A 46 63.610 13.870 2.911 1.00 1.00 C ATOM 708 CG PHE A 46 63.073 15.229 2.527 1.00 1.00 C ATOM 709 CD1 PHE A 46 63.418 16.356 3.281 1.00 1.00 C ATOM 710 CD2 PHE A 46 62.231 15.359 1.417 1.00 1.00 C ATOM 711 CE1 PHE A 46 62.920 17.616 2.924 1.00 1.00 C ATOM 712 CE2 PHE A 46 61.733 16.618 1.061 1.00 1.00 C ATOM 713 CZ PHE A 46 62.078 17.746 1.814 1.00 1.00 C ATOM 0 H PHE A 46 63.887 13.491 0.498 1.00 1.00 H new ATOM 0 HA PHE A 46 65.622 14.526 2.489 1.00 1.00 H new ATOM 0 HB2 PHE A 46 62.926 13.090 2.578 1.00 1.00 H new ATOM 0 HB3 PHE A 46 63.682 13.789 3.996 1.00 1.00 H new ATOM 0 HD1 PHE A 46 64.068 16.255 4.138 1.00 1.00 H new ATOM 0 HD2 PHE A 46 61.965 14.489 0.835 1.00 1.00 H new ATOM 0 HE1 PHE A 46 63.186 18.487 3.505 1.00 1.00 H new ATOM 0 HE2 PHE A 46 61.082 16.719 0.205 1.00 1.00 H new ATOM 0 HZ PHE A 46 61.694 18.717 1.538 1.00 1.00 H new ATOM 723 N TRP A 47 65.257 11.263 2.352 1.00 1.00 N ATOM 724 CA TRP A 47 65.792 9.996 2.837 1.00 1.00 C ATOM 725 C TRP A 47 67.295 9.892 2.592 1.00 1.00 C ATOM 726 O TRP A 47 68.043 9.430 3.452 1.00 1.00 O ATOM 727 CB TRP A 47 65.084 8.831 2.143 1.00 1.00 C ATOM 728 CG TRP A 47 65.637 7.539 2.650 1.00 1.00 C ATOM 729 CD1 TRP A 47 65.197 6.883 3.748 1.00 1.00 C ATOM 730 CD2 TRP A 47 66.720 6.735 2.100 1.00 1.00 C ATOM 731 NE1 TRP A 47 65.942 5.728 3.908 1.00 1.00 N ATOM 732 CE2 TRP A 47 66.894 5.593 2.916 1.00 1.00 C ATOM 733 CE3 TRP A 47 67.561 6.887 0.982 1.00 1.00 C ATOM 734 CZ2 TRP A 47 67.867 4.634 2.633 1.00 1.00 C ATOM 735 CZ3 TRP A 47 68.541 5.923 0.695 1.00 1.00 C ATOM 736 CH2 TRP A 47 68.695 4.799 1.520 1.00 1.00 C ATOM 0 H TRP A 47 64.578 11.173 1.597 1.00 1.00 H new ATOM 0 HA TRP A 47 65.616 9.952 3.912 1.00 1.00 H new ATOM 0 HB2 TRP A 47 64.012 8.879 2.332 1.00 1.00 H new ATOM 0 HB3 TRP A 47 65.221 8.899 1.064 1.00 1.00 H new ATOM 0 HD1 TRP A 47 64.395 7.208 4.394 1.00 1.00 H new ATOM 0 HE1 TRP A 47 65.805 5.059 4.665 1.00 1.00 H new ATOM 0 HE3 TRP A 47 67.452 7.750 0.341 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 67.979 3.769 3.270 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 69.180 6.048 -0.166 1.00 1.00 H new ATOM 0 HH2 TRP A 47 69.452 4.063 1.295 1.00 1.00 H new ATOM 747 N ASN A 48 67.729 10.329 1.412 1.00 1.00 N ATOM 748 CA ASN A 48 69.145 10.283 1.066 1.00 1.00 C ATOM 749 C ASN A 48 69.951 11.181 1.998 1.00 1.00 C ATOM 750 O ASN A 48 71.043 10.819 2.434 1.00 1.00 O ATOM 751 CB ASN A 48 69.345 10.736 -0.382 1.00 1.00 C ATOM 752 CG ASN A 48 70.827 10.693 -0.742 1.00 1.00 C ATOM 753 OD1 ASN A 48 71.580 9.894 -0.186 1.00 1.00 O ATOM 754 ND2 ASN A 48 71.291 11.512 -1.645 1.00 1.00 N ATOM 0 H ASN A 48 67.126 10.715 0.686 1.00 1.00 H new ATOM 0 HA ASN A 48 69.494 9.256 1.175 1.00 1.00 H new ATOM 0 HB2 ASN A 48 68.780 10.091 -1.055 1.00 1.00 H new ATOM 0 HB3 ASN A 48 68.960 11.747 -0.512 1.00 1.00 H new ATOM 0 HD21 ASN A 48 72.280 11.491 -1.892 1.00 1.00 H new ATOM 0 HD22 ASN A 48 70.664 12.173 -2.104 1.00 1.00 H new ATOM 761 N ASP A 49 69.403 12.355 2.300 1.00 1.00 N ATOM 762 CA ASP A 49 70.081 13.297 3.182 1.00 1.00 C ATOM 763 C ASP A 49 70.257 12.696 4.573 1.00 1.00 C ATOM 764 O ASP A 49 71.312 12.840 5.192 1.00 1.00 O ATOM 765 CB ASP A 49 69.272 14.592 3.284 1.00 1.00 C ATOM 766 CG ASP A 49 69.377 15.379 1.981 1.00 1.00 C ATOM 767 OD1 ASP A 49 70.249 15.063 1.187 1.00 1.00 O ATOM 768 OD2 ASP A 49 68.582 16.287 1.795 1.00 1.00 O ATOM 0 H ASP A 49 68.499 12.674 1.950 1.00 1.00 H new ATOM 0 HA ASP A 49 71.064 13.514 2.764 1.00 1.00 H new ATOM 0 HB2 ASP A 49 68.228 14.362 3.496 1.00 1.00 H new ATOM 0 HB3 ASP A 49 69.640 15.196 4.113 1.00 1.00 H new ATOM 773 N PHE A 50 69.219 12.021 5.057 1.00 1.00 N ATOM 774 CA PHE A 50 69.270 11.401 6.375 1.00 1.00 C ATOM 775 C PHE A 50 70.498 10.505 6.499 1.00 1.00 C ATOM 776 O PHE A 50 70.797 9.808 5.545 1.00 1.00 O ATOM 777 CB PHE A 50 68.005 10.573 6.612 1.00 1.00 C ATOM 778 CG PHE A 50 68.094 9.891 7.956 1.00 1.00 C ATOM 779 CD1 PHE A 50 67.933 10.636 9.131 1.00 1.00 C ATOM 780 CD2 PHE A 50 68.338 8.514 8.027 1.00 1.00 C ATOM 781 CE1 PHE A 50 68.016 10.003 10.377 1.00 1.00 C ATOM 782 CE2 PHE A 50 68.420 7.882 9.273 1.00 1.00 C ATOM 783 CZ PHE A 50 68.259 8.626 10.448 1.00 1.00 C ATOM 784 OXT PHE A 50 71.120 10.529 7.549 1.00 1.00 O ATOM 0 H PHE A 50 68.338 11.890 4.560 1.00 1.00 H new ATOM 0 HA PHE A 50 69.333 12.190 7.125 1.00 1.00 H new ATOM 0 HB2 PHE A 50 67.125 11.215 6.576 1.00 1.00 H new ATOM 0 HB3 PHE A 50 67.890 9.830 5.822 1.00 1.00 H new ATOM 0 HD1 PHE A 50 67.745 11.698 9.076 1.00 1.00 H new ATOM 0 HD2 PHE A 50 68.463 7.940 7.121 1.00 1.00 H new ATOM 0 HE1 PHE A 50 67.893 10.577 11.284 1.00 1.00 H new ATOM 0 HE2 PHE A 50 68.608 6.820 9.328 1.00 1.00 H new ATOM 0 HZ PHE A 50 68.322 8.138 11.409 1.00 1.00 H new TER 794 PHE A 50