USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 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 156:sc= -0.149 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 13 SER OG : rot 180:sc= -1.6 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -95:sc= -0.175! USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -16:sc= 0.174 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.2 K(o=0.2,f=-0.83) USER MOD Single : A 44 SER OG : rot -113:sc= 1.26 USER MOD Single : A 48 ASN : amide:sc= -2.11! C(o=-2.1!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.221 5.858 -11.316 1.00 1.00 N ATOM 2 CA MET A 1 10.056 4.715 -10.385 1.00 1.00 C ATOM 3 C MET A 1 9.317 5.182 -9.136 1.00 1.00 C ATOM 4 O MET A 1 9.926 5.644 -8.172 1.00 1.00 O ATOM 5 CB MET A 1 11.424 4.145 -10.015 1.00 1.00 C ATOM 6 CG MET A 1 11.207 2.904 -9.166 1.00 1.00 C ATOM 7 SD MET A 1 12.800 2.140 -8.794 1.00 1.00 S ATOM 8 CE MET A 1 13.437 3.443 -7.712 1.00 1.00 C ATOM 0 H1 MET A 1 10.725 5.541 -12.169 1.00 1.00 H new ATOM 0 H2 MET A 1 9.286 6.226 -11.583 1.00 1.00 H new ATOM 0 H3 MET A 1 10.768 6.609 -10.850 1.00 1.00 H new ATOM 0 HA MET A 1 9.474 3.931 -10.869 1.00 1.00 H new ATOM 0 HB2 MET A 1 11.988 3.897 -10.914 1.00 1.00 H new ATOM 0 HB3 MET A 1 12.008 4.884 -9.466 1.00 1.00 H new ATOM 0 HG2 MET A 1 10.694 3.169 -8.241 1.00 1.00 H new ATOM 0 HG3 MET A 1 10.567 2.197 -9.694 1.00 1.00 H new ATOM 0 HE1 MET A 1 14.188 3.025 -7.042 1.00 1.00 H new ATOM 0 HE2 MET A 1 13.888 4.230 -8.317 1.00 1.00 H new ATOM 0 HE3 MET A 1 12.619 3.860 -7.125 1.00 1.00 H new ATOM 20 N ALA A 2 7.992 5.054 -9.169 1.00 1.00 N ATOM 21 CA ALA A 2 7.169 5.465 -8.036 1.00 1.00 C ATOM 22 C ALA A 2 7.429 4.549 -6.839 1.00 1.00 C ATOM 23 O ALA A 2 7.599 3.337 -6.990 1.00 1.00 O ATOM 24 CB ALA A 2 5.680 5.412 -8.414 1.00 1.00 C ATOM 0 H ALA A 2 7.471 4.673 -9.959 1.00 1.00 H new ATOM 0 HA ALA A 2 7.432 6.488 -7.768 1.00 1.00 H new ATOM 0 HB1 ALA A 2 5.077 5.721 -7.560 1.00 1.00 H new ATOM 0 HB2 ALA A 2 5.493 6.083 -9.252 1.00 1.00 H new ATOM 0 HB3 ALA A 2 5.413 4.394 -8.698 1.00 1.00 H new ATOM 30 N GLU A 3 7.465 5.140 -5.643 1.00 1.00 N ATOM 31 CA GLU A 3 7.711 4.375 -4.419 1.00 1.00 C ATOM 32 C GLU A 3 6.414 4.231 -3.622 1.00 1.00 C ATOM 33 O GLU A 3 5.787 5.221 -3.250 1.00 1.00 O ATOM 34 CB GLU A 3 8.756 5.090 -3.543 1.00 1.00 C ATOM 35 CG GLU A 3 10.102 5.127 -4.263 1.00 1.00 C ATOM 36 CD GLU A 3 10.135 6.275 -5.270 1.00 1.00 C ATOM 37 OE1 GLU A 3 9.098 6.878 -5.487 1.00 1.00 O ATOM 38 OE2 GLU A 3 11.201 6.552 -5.786 1.00 1.00 O ATOM 0 H GLU A 3 7.328 6.140 -5.496 1.00 1.00 H new ATOM 0 HA GLU A 3 8.083 3.390 -4.700 1.00 1.00 H new ATOM 0 HB2 GLU A 3 8.424 6.104 -3.322 1.00 1.00 H new ATOM 0 HB3 GLU A 3 8.858 4.573 -2.589 1.00 1.00 H new ATOM 0 HG2 GLU A 3 10.907 5.248 -3.538 1.00 1.00 H new ATOM 0 HG3 GLU A 3 10.274 4.180 -4.775 1.00 1.00 H new ATOM 45 N ALA A 4 6.019 2.993 -3.368 1.00 1.00 N ATOM 46 CA ALA A 4 4.801 2.738 -2.618 1.00 1.00 C ATOM 47 C ALA A 4 4.953 3.248 -1.192 1.00 1.00 C ATOM 48 O ALA A 4 4.016 3.795 -0.617 1.00 1.00 O ATOM 49 CB ALA A 4 4.516 1.243 -2.598 1.00 1.00 C ATOM 0 H ALA A 4 6.520 2.156 -3.668 1.00 1.00 H new ATOM 0 HA ALA A 4 3.972 3.259 -3.097 1.00 1.00 H new ATOM 0 HB1 ALA A 4 3.602 1.054 -2.035 1.00 1.00 H new ATOM 0 HB2 ALA A 4 4.394 0.882 -3.619 1.00 1.00 H new ATOM 0 HB3 ALA A 4 5.348 0.720 -2.125 1.00 1.00 H new ATOM 55 N HIS A 5 6.146 3.062 -0.632 1.00 1.00 N ATOM 56 CA HIS A 5 6.424 3.504 0.730 1.00 1.00 C ATOM 57 C HIS A 5 7.425 4.654 0.726 1.00 1.00 C ATOM 58 O HIS A 5 8.478 4.574 0.084 1.00 1.00 O ATOM 59 CB HIS A 5 6.968 2.334 1.557 1.00 1.00 C ATOM 60 CG HIS A 5 5.895 1.289 1.688 1.00 1.00 C ATOM 61 ND1 HIS A 5 5.714 0.299 0.731 1.00 1.00 N ATOM 62 CD2 HIS A 5 4.942 1.058 2.653 1.00 1.00 C ATOM 63 CE1 HIS A 5 4.691 -0.473 1.137 1.00 1.00 C ATOM 64 NE2 HIS A 5 4.186 -0.056 2.303 1.00 1.00 N ATOM 0 H HIS A 5 6.932 2.610 -1.099 1.00 1.00 H new ATOM 0 HA HIS A 5 5.496 3.857 1.179 1.00 1.00 H new ATOM 0 HB2 HIS A 5 7.850 1.910 1.076 1.00 1.00 H new ATOM 0 HB3 HIS A 5 7.278 2.681 2.543 1.00 1.00 H new ATOM 0 HD2 HIS A 5 4.802 1.650 3.545 1.00 1.00 H new ATOM 0 HE1 HIS A 5 4.322 -1.327 0.588 1.00 1.00 H new ATOM 0 HE2 HIS A 5 3.412 -0.467 2.824 1.00 1.00 H new ATOM 72 N GLN A 6 7.086 5.722 1.441 1.00 1.00 N ATOM 73 CA GLN A 6 7.949 6.893 1.518 1.00 1.00 C ATOM 74 C GLN A 6 8.423 7.098 2.947 1.00 1.00 C ATOM 75 O GLN A 6 7.618 7.173 3.874 1.00 1.00 O ATOM 76 CB GLN A 6 7.184 8.133 1.041 1.00 1.00 C ATOM 77 CG GLN A 6 6.891 8.006 -0.454 1.00 1.00 C ATOM 78 CD GLN A 6 6.058 9.192 -0.927 1.00 1.00 C ATOM 79 OE1 GLN A 6 5.777 10.105 -0.153 1.00 1.00 O ATOM 80 NE2 GLN A 6 5.640 9.226 -2.164 1.00 1.00 N ATOM 0 H GLN A 6 6.220 5.800 1.975 1.00 1.00 H new ATOM 0 HA GLN A 6 8.816 6.737 0.877 1.00 1.00 H new ATOM 0 HB2 GLN A 6 6.253 8.236 1.598 1.00 1.00 H new ATOM 0 HB3 GLN A 6 7.770 9.032 1.233 1.00 1.00 H new ATOM 0 HG2 GLN A 6 7.826 7.962 -1.013 1.00 1.00 H new ATOM 0 HG3 GLN A 6 6.358 7.076 -0.650 1.00 1.00 H new ATOM 0 HE21 GLN A 6 5.875 8.467 -2.803 1.00 1.00 H new ATOM 0 HE22 GLN A 6 5.078 10.012 -2.491 1.00 1.00 H new ATOM 89 N ALA A 7 9.739 7.174 3.119 1.00 1.00 N ATOM 90 CA ALA A 7 10.319 7.357 4.445 1.00 1.00 C ATOM 91 C ALA A 7 9.989 8.739 5.004 1.00 1.00 C ATOM 92 O ALA A 7 10.012 9.737 4.285 1.00 1.00 O ATOM 93 CB ALA A 7 11.841 7.186 4.386 1.00 1.00 C ATOM 0 H ALA A 7 10.420 7.112 2.362 1.00 1.00 H new ATOM 0 HA ALA A 7 9.890 6.601 5.103 1.00 1.00 H new ATOM 0 HB1 ALA A 7 12.262 7.325 5.382 1.00 1.00 H new ATOM 0 HB2 ALA A 7 12.081 6.185 4.027 1.00 1.00 H new ATOM 0 HB3 ALA A 7 12.264 7.926 3.707 1.00 1.00 H new ATOM 99 N VAL A 8 9.697 8.793 6.298 1.00 1.00 N ATOM 100 CA VAL A 8 9.382 10.057 6.948 1.00 1.00 C ATOM 101 C VAL A 8 10.598 10.976 6.937 1.00 1.00 C ATOM 102 O VAL A 8 10.478 12.182 6.731 1.00 1.00 O ATOM 103 CB VAL A 8 8.948 9.809 8.390 1.00 1.00 C ATOM 104 CG1 VAL A 8 7.778 8.829 8.401 1.00 1.00 C ATOM 105 CG2 VAL A 8 10.121 9.221 9.175 1.00 1.00 C ATOM 0 H VAL A 8 9.672 7.981 6.914 1.00 1.00 H new ATOM 0 HA VAL A 8 8.569 10.534 6.401 1.00 1.00 H new ATOM 0 HB VAL A 8 8.639 10.747 8.851 1.00 1.00 H new ATOM 0 HG11 VAL A 8 7.464 8.649 9.429 1.00 1.00 H new ATOM 0 HG12 VAL A 8 6.946 9.249 7.836 1.00 1.00 H new ATOM 0 HG13 VAL A 8 8.087 7.888 7.946 1.00 1.00 H new ATOM 0 HG21 VAL A 8 9.816 9.042 10.206 1.00 1.00 H new ATOM 0 HG22 VAL A 8 10.429 8.280 8.719 1.00 1.00 H new ATOM 0 HG23 VAL A 8 10.956 9.921 9.160 1.00 1.00 H new ATOM 115 N GLY A 9 11.769 10.393 7.173 1.00 1.00 N ATOM 116 CA GLY A 9 13.012 11.157 7.200 1.00 1.00 C ATOM 117 C GLY A 9 13.337 11.751 5.831 1.00 1.00 C ATOM 118 O GLY A 9 13.933 12.824 5.740 1.00 1.00 O ATOM 0 H GLY A 9 11.884 9.395 7.348 1.00 1.00 H new ATOM 0 HA2 GLY A 9 12.931 11.958 7.935 1.00 1.00 H new ATOM 0 HA3 GLY A 9 13.830 10.511 7.520 1.00 1.00 H new ATOM 122 N PHE A 10 12.970 11.030 4.770 1.00 1.00 N ATOM 123 CA PHE A 10 13.249 11.475 3.402 1.00 1.00 C ATOM 124 C PHE A 10 14.751 11.650 3.203 1.00 1.00 C ATOM 125 O PHE A 10 15.196 12.160 2.176 1.00 1.00 O ATOM 126 CB PHE A 10 12.552 12.805 3.099 1.00 1.00 C ATOM 127 CG PHE A 10 11.056 12.665 3.278 1.00 1.00 C ATOM 128 CD1 PHE A 10 10.306 11.921 2.359 1.00 1.00 C ATOM 129 CD2 PHE A 10 10.421 13.289 4.357 1.00 1.00 C ATOM 130 CE1 PHE A 10 8.918 11.804 2.521 1.00 1.00 C ATOM 131 CE2 PHE A 10 9.035 13.172 4.519 1.00 1.00 C ATOM 132 CZ PHE A 10 8.283 12.430 3.602 1.00 1.00 C ATOM 0 H PHE A 10 12.480 10.137 4.831 1.00 1.00 H new ATOM 0 HA PHE A 10 12.868 10.713 2.723 1.00 1.00 H new ATOM 0 HB2 PHE A 10 12.933 13.583 3.761 1.00 1.00 H new ATOM 0 HB3 PHE A 10 12.776 13.117 2.079 1.00 1.00 H new ATOM 0 HD1 PHE A 10 10.796 11.438 1.527 1.00 1.00 H new ATOM 0 HD2 PHE A 10 11.000 13.862 5.066 1.00 1.00 H new ATOM 0 HE1 PHE A 10 8.338 11.231 1.812 1.00 1.00 H new ATOM 0 HE2 PHE A 10 8.546 13.655 5.352 1.00 1.00 H new ATOM 0 HZ PHE A 10 7.214 12.340 3.727 1.00 1.00 H new ATOM 142 N ARG A 11 15.523 11.228 4.194 1.00 1.00 N ATOM 143 CA ARG A 11 16.971 11.349 4.119 1.00 1.00 C ATOM 144 C ARG A 11 17.641 10.182 4.836 1.00 1.00 C ATOM 145 O ARG A 11 18.215 10.351 5.913 1.00 1.00 O ATOM 146 CB ARG A 11 17.414 12.669 4.757 1.00 1.00 C ATOM 147 CG ARG A 11 16.728 13.844 4.049 1.00 1.00 C ATOM 148 CD ARG A 11 17.404 15.152 4.469 1.00 1.00 C ATOM 149 NE ARG A 11 16.422 16.229 4.603 1.00 1.00 N ATOM 150 CZ ARG A 11 15.866 16.791 3.534 1.00 1.00 C ATOM 151 NH1 ARG A 11 16.168 16.353 2.344 1.00 1.00 N ATOM 152 NH2 ARG A 11 15.018 17.779 3.672 1.00 1.00 N ATOM 0 H ARG A 11 15.174 10.802 5.053 1.00 1.00 H new ATOM 0 HA ARG A 11 17.269 11.334 3.071 1.00 1.00 H new ATOM 0 HB2 ARG A 11 17.161 12.674 5.817 1.00 1.00 H new ATOM 0 HB3 ARG A 11 18.497 12.772 4.687 1.00 1.00 H new ATOM 0 HG2 ARG A 11 16.791 13.719 2.968 1.00 1.00 H new ATOM 0 HG3 ARG A 11 15.669 13.870 4.305 1.00 1.00 H new ATOM 0 HD2 ARG A 11 17.924 15.009 5.416 1.00 1.00 H new ATOM 0 HD3 ARG A 11 18.156 15.430 3.731 1.00 1.00 H new ATOM 0 HE ARG A 11 16.159 16.554 5.533 1.00 1.00 H new ATOM 0 HH11 ARG A 11 16.828 15.583 2.236 1.00 1.00 H new ATOM 0 HH12 ARG A 11 15.744 16.781 1.520 1.00 1.00 H new ATOM 0 HH21 ARG A 11 14.781 18.121 4.603 1.00 1.00 H new ATOM 0 HH22 ARG A 11 14.595 18.206 2.848 1.00 1.00 H new ATOM 166 N PRO A 12 17.574 9.012 4.259 1.00 1.00 N ATOM 167 CA PRO A 12 18.185 7.788 4.852 1.00 1.00 C ATOM 168 C PRO A 12 19.692 7.937 5.023 1.00 1.00 C ATOM 169 O PRO A 12 20.363 8.544 4.188 1.00 1.00 O ATOM 170 CB PRO A 12 17.878 6.681 3.836 1.00 1.00 C ATOM 171 CG PRO A 12 16.789 7.211 2.960 1.00 1.00 C ATOM 172 CD PRO A 12 16.906 8.732 2.983 1.00 1.00 C ATOM 0 HA PRO A 12 17.788 7.582 5.846 1.00 1.00 H new ATOM 0 HB2 PRO A 12 18.763 6.433 3.250 1.00 1.00 H new ATOM 0 HB3 PRO A 12 17.563 5.767 4.339 1.00 1.00 H new ATOM 0 HG2 PRO A 12 16.891 6.831 1.944 1.00 1.00 H new ATOM 0 HG3 PRO A 12 15.812 6.893 3.323 1.00 1.00 H new ATOM 0 HD2 PRO A 12 17.487 9.101 2.138 1.00 1.00 H new ATOM 0 HD3 PRO A 12 15.928 9.209 2.930 1.00 1.00 H new ATOM 180 N SER A 13 20.215 7.375 6.108 1.00 1.00 N ATOM 181 CA SER A 13 21.647 7.444 6.381 1.00 1.00 C ATOM 182 C SER A 13 22.374 6.290 5.700 1.00 1.00 C ATOM 183 O SER A 13 23.606 6.237 5.684 1.00 1.00 O ATOM 184 CB SER A 13 21.895 7.392 7.890 1.00 1.00 C ATOM 185 OG SER A 13 21.551 6.104 8.380 1.00 1.00 O ATOM 0 H SER A 13 19.673 6.870 6.809 1.00 1.00 H new ATOM 0 HA SER A 13 22.031 8.384 5.986 1.00 1.00 H new ATOM 0 HB2 SER A 13 22.942 7.608 8.105 1.00 1.00 H new ATOM 0 HB3 SER A 13 21.302 8.155 8.394 1.00 1.00 H new ATOM 0 HG SER A 13 21.711 6.068 9.346 1.00 1.00 H new ATOM 191 N LEU A 14 21.604 5.367 5.137 1.00 1.00 N ATOM 192 CA LEU A 14 22.181 4.214 4.459 1.00 1.00 C ATOM 193 C LEU A 14 22.118 4.391 2.949 1.00 1.00 C ATOM 194 O LEU A 14 21.071 4.732 2.396 1.00 1.00 O ATOM 195 CB LEU A 14 21.429 2.943 4.866 1.00 1.00 C ATOM 196 CG LEU A 14 21.947 2.453 6.222 1.00 1.00 C ATOM 197 CD1 LEU A 14 21.632 3.493 7.300 1.00 1.00 C ATOM 198 CD2 LEU A 14 21.269 1.134 6.581 1.00 1.00 C ATOM 0 H LEU A 14 20.584 5.394 5.136 1.00 1.00 H new ATOM 0 HA LEU A 14 23.227 4.126 4.753 1.00 1.00 H new ATOM 0 HB2 LEU A 14 20.359 3.144 4.925 1.00 1.00 H new ATOM 0 HB3 LEU A 14 21.567 2.169 4.111 1.00 1.00 H new ATOM 0 HG LEU A 14 23.025 2.306 6.163 1.00 1.00 H new ATOM 0 HD11 LEU A 14 22.002 3.142 8.263 1.00 1.00 H new ATOM 0 HD12 LEU A 14 22.116 4.437 7.048 1.00 1.00 H new ATOM 0 HD13 LEU A 14 20.554 3.642 7.358 1.00 1.00 H new ATOM 0 HD21 LEU A 14 21.638 0.786 7.546 1.00 1.00 H new ATOM 0 HD22 LEU A 14 20.191 1.283 6.637 1.00 1.00 H new ATOM 0 HD23 LEU A 14 21.493 0.390 5.817 1.00 1.00 H new ATOM 210 N THR A 15 23.252 4.166 2.290 1.00 1.00 N ATOM 211 CA THR A 15 23.330 4.310 0.844 1.00 1.00 C ATOM 212 C THR A 15 24.009 3.092 0.221 1.00 1.00 C ATOM 213 O THR A 15 24.701 2.335 0.903 1.00 1.00 O ATOM 214 CB THR A 15 24.113 5.578 0.494 1.00 1.00 C ATOM 215 OG1 THR A 15 25.480 5.403 0.843 1.00 1.00 O ATOM 216 CG2 THR A 15 23.535 6.760 1.277 1.00 1.00 C ATOM 0 H THR A 15 24.125 3.884 2.735 1.00 1.00 H new ATOM 0 HA THR A 15 22.319 4.386 0.444 1.00 1.00 H new ATOM 0 HB THR A 15 24.034 5.773 -0.576 1.00 1.00 H new ATOM 0 HG1 THR A 15 25.982 6.214 0.617 1.00 1.00 H new ATOM 0 HG21 THR A 15 24.090 7.666 1.031 1.00 1.00 H new ATOM 0 HG22 THR A 15 22.486 6.894 1.012 1.00 1.00 H new ATOM 0 HG23 THR A 15 23.617 6.563 2.346 1.00 1.00 H new ATOM 224 N SER A 16 23.794 2.905 -1.076 1.00 1.00 N ATOM 225 CA SER A 16 24.374 1.770 -1.787 1.00 1.00 C ATOM 226 C SER A 16 25.897 1.796 -1.711 1.00 1.00 C ATOM 227 O SER A 16 26.533 0.761 -1.511 1.00 1.00 O ATOM 228 CB SER A 16 23.928 1.798 -3.248 1.00 1.00 C ATOM 229 OG SER A 16 22.508 1.721 -3.300 1.00 1.00 O ATOM 0 H SER A 16 23.225 3.522 -1.656 1.00 1.00 H new ATOM 0 HA SER A 16 24.025 0.852 -1.314 1.00 1.00 H new ATOM 0 HB2 SER A 16 24.273 2.713 -3.730 1.00 1.00 H new ATOM 0 HB3 SER A 16 24.371 0.964 -3.793 1.00 1.00 H new ATOM 0 HG SER A 16 22.213 1.740 -4.234 1.00 1.00 H new ATOM 235 N ASP A 17 26.481 2.981 -1.865 1.00 1.00 N ATOM 236 CA ASP A 17 27.934 3.109 -1.803 1.00 1.00 C ATOM 237 C ASP A 17 28.415 2.824 -0.387 1.00 1.00 C ATOM 238 O ASP A 17 27.812 3.276 0.587 1.00 1.00 O ATOM 239 CB ASP A 17 28.362 4.525 -2.200 1.00 1.00 C ATOM 240 CG ASP A 17 28.371 4.677 -3.719 1.00 1.00 C ATOM 241 OD1 ASP A 17 28.170 3.685 -4.401 1.00 1.00 O ATOM 242 OD2 ASP A 17 28.564 5.792 -4.179 1.00 1.00 O ATOM 0 H ASP A 17 25.980 3.854 -2.031 1.00 1.00 H new ATOM 0 HA ASP A 17 28.375 2.393 -2.496 1.00 1.00 H new ATOM 0 HB2 ASP A 17 27.681 5.253 -1.760 1.00 1.00 H new ATOM 0 HB3 ASP A 17 29.355 4.736 -1.802 1.00 1.00 H new ATOM 247 N GLY A 18 29.507 2.080 -0.277 1.00 1.00 N ATOM 248 CA GLY A 18 30.058 1.751 1.028 1.00 1.00 C ATOM 249 C GLY A 18 29.164 0.755 1.756 1.00 1.00 C ATOM 250 O GLY A 18 29.247 0.606 2.975 1.00 1.00 O ATOM 0 H GLY A 18 30.024 1.696 -1.068 1.00 1.00 H new ATOM 0 HA2 GLY A 18 31.057 1.332 0.911 1.00 1.00 H new ATOM 0 HA3 GLY A 18 30.161 2.658 1.624 1.00 1.00 H new ATOM 254 N ALA A 19 28.302 0.083 1.004 1.00 1.00 N ATOM 255 CA ALA A 19 27.391 -0.892 1.589 1.00 1.00 C ATOM 256 C ALA A 19 28.154 -2.070 2.188 1.00 1.00 C ATOM 257 O ALA A 19 27.782 -2.591 3.237 1.00 1.00 O ATOM 258 CB ALA A 19 26.430 -1.406 0.518 1.00 1.00 C ATOM 0 H ALA A 19 28.215 0.194 -0.006 1.00 1.00 H new ATOM 0 HA ALA A 19 26.834 -0.399 2.386 1.00 1.00 H new ATOM 0 HB1 ALA A 19 25.750 -2.135 0.959 1.00 1.00 H new ATOM 0 HB2 ALA A 19 25.856 -0.572 0.114 1.00 1.00 H new ATOM 0 HB3 ALA A 19 26.998 -1.878 -0.284 1.00 1.00 H new ATOM 264 N GLU A 20 29.214 -2.491 1.506 1.00 1.00 N ATOM 265 CA GLU A 20 30.009 -3.619 1.972 1.00 1.00 C ATOM 266 C GLU A 20 30.705 -3.287 3.291 1.00 1.00 C ATOM 267 O GLU A 20 30.749 -4.117 4.201 1.00 1.00 O ATOM 268 CB GLU A 20 31.048 -3.986 0.909 1.00 1.00 C ATOM 269 CG GLU A 20 30.339 -4.547 -0.327 1.00 1.00 C ATOM 270 CD GLU A 20 31.359 -4.841 -1.422 1.00 1.00 C ATOM 271 OE1 GLU A 20 32.530 -4.590 -1.196 1.00 1.00 O ATOM 272 OE2 GLU A 20 30.953 -5.311 -2.471 1.00 1.00 O ATOM 0 H GLU A 20 29.540 -2.071 0.635 1.00 1.00 H new ATOM 0 HA GLU A 20 29.346 -4.467 2.142 1.00 1.00 H new ATOM 0 HB2 GLU A 20 31.633 -3.107 0.638 1.00 1.00 H new ATOM 0 HB3 GLU A 20 31.746 -4.723 1.307 1.00 1.00 H new ATOM 0 HG2 GLU A 20 29.800 -5.458 -0.066 1.00 1.00 H new ATOM 0 HG3 GLU A 20 29.600 -3.832 -0.689 1.00 1.00 H new ATOM 279 N VAL A 21 31.235 -2.068 3.396 1.00 1.00 N ATOM 280 CA VAL A 21 31.915 -1.637 4.619 1.00 1.00 C ATOM 281 C VAL A 21 31.294 -0.343 5.149 1.00 1.00 C ATOM 282 O VAL A 21 31.119 0.620 4.404 1.00 1.00 O ATOM 283 CB VAL A 21 33.409 -1.414 4.341 1.00 1.00 C ATOM 284 CG1 VAL A 21 34.073 -2.747 3.978 1.00 1.00 C ATOM 285 CG2 VAL A 21 33.571 -0.427 3.183 1.00 1.00 C ATOM 0 H VAL A 21 31.208 -1.366 2.656 1.00 1.00 H new ATOM 0 HA VAL A 21 31.800 -2.418 5.370 1.00 1.00 H new ATOM 0 HB VAL A 21 33.885 -1.008 5.233 1.00 1.00 H new ATOM 0 HG11 VAL A 21 35.133 -2.584 3.782 1.00 1.00 H new ATOM 0 HG12 VAL A 21 33.961 -3.447 4.806 1.00 1.00 H new ATOM 0 HG13 VAL A 21 33.598 -3.159 3.088 1.00 1.00 H new ATOM 0 HG21 VAL A 21 34.631 -0.269 2.986 1.00 1.00 H new ATOM 0 HG22 VAL A 21 33.092 -0.831 2.291 1.00 1.00 H new ATOM 0 HG23 VAL A 21 33.105 0.523 3.446 1.00 1.00 H new ATOM 295 N GLU A 22 30.968 -0.320 6.440 1.00 1.00 N ATOM 296 CA GLU A 22 30.374 0.874 7.041 1.00 1.00 C ATOM 297 C GLU A 22 31.374 2.022 7.033 1.00 1.00 C ATOM 298 O GLU A 22 31.014 3.168 6.772 1.00 1.00 O ATOM 299 CB GLU A 22 29.948 0.584 8.481 1.00 1.00 C ATOM 300 CG GLU A 22 28.812 -0.445 8.499 1.00 1.00 C ATOM 301 CD GLU A 22 27.562 0.129 7.836 1.00 1.00 C ATOM 302 OE1 GLU A 22 27.457 1.343 7.764 1.00 1.00 O ATOM 303 OE2 GLU A 22 26.732 -0.655 7.406 1.00 1.00 O ATOM 0 H GLU A 22 31.102 -1.101 7.082 1.00 1.00 H new ATOM 0 HA GLU A 22 29.499 1.155 6.455 1.00 1.00 H new ATOM 0 HB2 GLU A 22 30.798 0.208 9.051 1.00 1.00 H new ATOM 0 HB3 GLU A 22 29.622 1.505 8.964 1.00 1.00 H new ATOM 0 HG2 GLU A 22 29.124 -1.350 7.978 1.00 1.00 H new ATOM 0 HG3 GLU A 22 28.588 -0.730 9.527 1.00 1.00 H new ATOM 310 N LEU A 23 32.630 1.708 7.324 1.00 1.00 N ATOM 311 CA LEU A 23 33.673 2.725 7.348 1.00 1.00 C ATOM 312 C LEU A 23 34.412 2.764 6.015 1.00 1.00 C ATOM 313 O LEU A 23 33.980 3.431 5.076 1.00 1.00 O ATOM 314 CB LEU A 23 34.662 2.421 8.468 1.00 1.00 C ATOM 315 CG LEU A 23 33.962 2.585 9.820 1.00 1.00 C ATOM 316 CD1 LEU A 23 34.890 2.093 10.928 1.00 1.00 C ATOM 317 CD2 LEU A 23 33.619 4.058 10.064 1.00 1.00 C ATOM 0 H LEU A 23 32.949 0.765 7.545 1.00 1.00 H new ATOM 0 HA LEU A 23 33.208 3.696 7.522 1.00 1.00 H new ATOM 0 HB2 LEU A 23 35.045 1.406 8.365 1.00 1.00 H new ATOM 0 HB3 LEU A 23 35.518 3.093 8.405 1.00 1.00 H new ATOM 0 HG LEU A 23 33.041 2.002 9.818 1.00 1.00 H new ATOM 0 HD11 LEU A 23 34.397 2.207 11.893 1.00 1.00 H new ATOM 0 HD12 LEU A 23 35.127 1.042 10.764 1.00 1.00 H new ATOM 0 HD13 LEU A 23 35.810 2.678 10.919 1.00 1.00 H new ATOM 0 HD21 LEU A 23 33.122 4.161 11.028 1.00 1.00 H new ATOM 0 HD22 LEU A 23 34.534 4.650 10.063 1.00 1.00 H new ATOM 0 HD23 LEU A 23 32.956 4.413 9.275 1.00 1.00 H new ATOM 329 N SER A 24 35.527 2.041 5.955 1.00 1.00 N ATOM 330 CA SER A 24 36.346 1.975 4.749 1.00 1.00 C ATOM 331 C SER A 24 37.777 1.597 5.118 1.00 1.00 C ATOM 332 O SER A 24 38.709 1.840 4.353 1.00 1.00 O ATOM 333 CB SER A 24 36.358 3.326 4.021 1.00 1.00 C ATOM 334 OG SER A 24 36.264 4.378 4.971 1.00 1.00 O ATOM 0 H SER A 24 35.886 1.489 6.734 1.00 1.00 H new ATOM 0 HA SER A 24 35.918 1.221 4.088 1.00 1.00 H new ATOM 0 HB2 SER A 24 37.273 3.429 3.438 1.00 1.00 H new ATOM 0 HB3 SER A 24 35.526 3.380 3.319 1.00 1.00 H new ATOM 0 HG SER A 24 35.327 4.651 5.066 1.00 1.00 H new ATOM 340 N ALA A 25 37.955 1.036 6.312 1.00 1.00 N ATOM 341 CA ALA A 25 39.293 0.681 6.774 1.00 1.00 C ATOM 342 C ALA A 25 40.065 -0.123 5.724 1.00 1.00 C ATOM 343 O ALA A 25 41.208 0.210 5.417 1.00 1.00 O ATOM 344 CB ALA A 25 39.222 -0.111 8.084 1.00 1.00 C ATOM 0 H ALA A 25 37.203 0.821 6.967 1.00 1.00 H new ATOM 0 HA ALA A 25 39.829 1.614 6.946 1.00 1.00 H new ATOM 0 HB1 ALA A 25 40.230 -0.365 8.410 1.00 1.00 H new ATOM 0 HB2 ALA A 25 38.735 0.494 8.849 1.00 1.00 H new ATOM 0 HB3 ALA A 25 38.650 -1.025 7.926 1.00 1.00 H new ATOM 350 N PRO A 26 39.492 -1.168 5.177 1.00 1.00 N ATOM 351 CA PRO A 26 40.196 -2.002 4.156 1.00 1.00 C ATOM 352 C PRO A 26 40.715 -1.169 2.986 1.00 1.00 C ATOM 353 O PRO A 26 41.865 -1.312 2.575 1.00 1.00 O ATOM 354 CB PRO A 26 39.120 -2.983 3.679 1.00 1.00 C ATOM 355 CG PRO A 26 38.108 -3.035 4.777 1.00 1.00 C ATOM 356 CD PRO A 26 38.137 -1.669 5.463 1.00 1.00 C ATOM 0 HA PRO A 26 41.076 -2.491 4.573 1.00 1.00 H new ATOM 0 HB2 PRO A 26 38.669 -2.646 2.746 1.00 1.00 H new ATOM 0 HB3 PRO A 26 39.545 -3.969 3.490 1.00 1.00 H new ATOM 0 HG2 PRO A 26 37.116 -3.248 4.379 1.00 1.00 H new ATOM 0 HG3 PRO A 26 38.345 -3.829 5.485 1.00 1.00 H new ATOM 0 HD2 PRO A 26 37.371 -1.004 5.065 1.00 1.00 H new ATOM 0 HD3 PRO A 26 37.959 -1.755 6.535 1.00 1.00 H new ATOM 364 N VAL A 27 39.874 -0.271 2.484 1.00 1.00 N ATOM 365 CA VAL A 27 40.264 0.619 1.390 1.00 1.00 C ATOM 366 C VAL A 27 41.331 1.597 1.868 1.00 1.00 C ATOM 367 O VAL A 27 42.307 1.863 1.167 1.00 1.00 O ATOM 368 CB VAL A 27 39.043 1.394 0.891 1.00 1.00 C ATOM 369 CG1 VAL A 27 39.471 2.469 -0.111 1.00 1.00 C ATOM 370 CG2 VAL A 27 38.081 0.428 0.204 1.00 1.00 C ATOM 0 H VAL A 27 38.918 -0.138 2.815 1.00 1.00 H new ATOM 0 HA VAL A 27 40.669 0.020 0.574 1.00 1.00 H new ATOM 0 HB VAL A 27 38.554 1.871 1.741 1.00 1.00 H new ATOM 0 HG11 VAL A 27 38.593 3.013 -0.458 1.00 1.00 H new ATOM 0 HG12 VAL A 27 40.160 3.162 0.371 1.00 1.00 H new ATOM 0 HG13 VAL A 27 39.966 1.998 -0.961 1.00 1.00 H new ATOM 0 HG21 VAL A 27 37.209 0.976 -0.153 1.00 1.00 H new ATOM 0 HG22 VAL A 27 38.582 -0.046 -0.640 1.00 1.00 H new ATOM 0 HG23 VAL A 27 37.764 -0.336 0.914 1.00 1.00 H new ATOM 380 N LEU A 28 41.127 2.135 3.062 1.00 1.00 N ATOM 381 CA LEU A 28 42.071 3.097 3.623 1.00 1.00 C ATOM 382 C LEU A 28 43.434 2.459 3.837 1.00 1.00 C ATOM 383 O LEU A 28 44.465 3.072 3.564 1.00 1.00 O ATOM 384 CB LEU A 28 41.555 3.633 4.956 1.00 1.00 C ATOM 385 CG LEU A 28 40.344 4.540 4.712 1.00 1.00 C ATOM 386 CD1 LEU A 28 39.694 4.885 6.049 1.00 1.00 C ATOM 387 CD2 LEU A 28 40.777 5.838 4.018 1.00 1.00 C ATOM 0 H LEU A 28 40.326 1.926 3.657 1.00 1.00 H new ATOM 0 HA LEU A 28 42.170 3.918 2.913 1.00 1.00 H new ATOM 0 HB2 LEU A 28 41.277 2.806 5.609 1.00 1.00 H new ATOM 0 HB3 LEU A 28 42.342 4.190 5.465 1.00 1.00 H new ATOM 0 HG LEU A 28 39.635 4.013 4.073 1.00 1.00 H new ATOM 0 HD11 LEU A 28 38.832 5.530 5.879 1.00 1.00 H new ATOM 0 HD12 LEU A 28 39.370 3.969 6.543 1.00 1.00 H new ATOM 0 HD13 LEU A 28 40.415 5.402 6.681 1.00 1.00 H new ATOM 0 HD21 LEU A 28 39.905 6.470 3.852 1.00 1.00 H new ATOM 0 HD22 LEU A 28 41.493 6.366 4.648 1.00 1.00 H new ATOM 0 HD23 LEU A 28 41.241 5.601 3.060 1.00 1.00 H new ATOM 399 N GLN A 29 43.435 1.228 4.331 1.00 1.00 N ATOM 400 CA GLN A 29 44.688 0.529 4.584 1.00 1.00 C ATOM 401 C GLN A 29 45.446 0.310 3.276 1.00 1.00 C ATOM 402 O GLN A 29 46.664 0.479 3.227 1.00 1.00 O ATOM 403 CB GLN A 29 44.408 -0.817 5.267 1.00 1.00 C ATOM 404 CG GLN A 29 45.726 -1.521 5.608 1.00 1.00 C ATOM 405 CD GLN A 29 45.441 -2.857 6.292 1.00 1.00 C ATOM 406 OE1 GLN A 29 44.820 -3.739 5.701 1.00 1.00 O ATOM 407 NE2 GLN A 29 45.860 -3.058 7.513 1.00 1.00 N ATOM 0 H GLN A 29 42.594 0.698 4.562 1.00 1.00 H new ATOM 0 HA GLN A 29 45.305 1.139 5.244 1.00 1.00 H new ATOM 0 HB2 GLN A 29 43.826 -0.658 6.175 1.00 1.00 H new ATOM 0 HB3 GLN A 29 43.809 -1.448 4.611 1.00 1.00 H new ATOM 0 HG2 GLN A 29 46.307 -1.684 4.700 1.00 1.00 H new ATOM 0 HG3 GLN A 29 46.327 -0.889 6.262 1.00 1.00 H new ATOM 0 HE21 GLN A 29 46.375 -2.326 8.002 1.00 1.00 H new ATOM 0 HE22 GLN A 29 45.672 -3.947 7.977 1.00 1.00 H new ATOM 416 N GLU A 30 44.725 -0.050 2.213 1.00 1.00 N ATOM 417 CA GLU A 30 45.363 -0.264 0.913 1.00 1.00 C ATOM 418 C GLU A 30 45.904 1.054 0.365 1.00 1.00 C ATOM 419 O GLU A 30 47.016 1.095 -0.162 1.00 1.00 O ATOM 420 CB GLU A 30 44.360 -0.856 -0.084 1.00 1.00 C ATOM 421 CG GLU A 30 44.005 -2.283 0.342 1.00 1.00 C ATOM 422 CD GLU A 30 42.938 -2.869 -0.583 1.00 1.00 C ATOM 423 OE1 GLU A 30 42.544 -2.186 -1.515 1.00 1.00 O ATOM 424 OE2 GLU A 30 42.535 -3.997 -0.345 1.00 1.00 O ATOM 0 H GLU A 30 43.716 -0.198 2.224 1.00 1.00 H new ATOM 0 HA GLU A 30 46.188 -0.963 1.049 1.00 1.00 H new ATOM 0 HB2 GLU A 30 43.461 -0.241 -0.121 1.00 1.00 H new ATOM 0 HB3 GLU A 30 44.786 -0.859 -1.087 1.00 1.00 H new ATOM 0 HG2 GLU A 30 44.898 -2.908 0.319 1.00 1.00 H new ATOM 0 HG3 GLU A 30 43.643 -2.282 1.370 1.00 1.00 H new ATOM 431 N ILE A 31 45.144 2.134 0.511 1.00 1.00 N ATOM 432 CA ILE A 31 45.610 3.433 0.039 1.00 1.00 C ATOM 433 C ILE A 31 46.838 3.853 0.831 1.00 1.00 C ATOM 434 O ILE A 31 47.813 4.339 0.261 1.00 1.00 O ATOM 435 CB ILE A 31 44.520 4.485 0.225 1.00 1.00 C ATOM 436 CG1 ILE A 31 43.363 4.186 -0.726 1.00 1.00 C ATOM 437 CG2 ILE A 31 45.087 5.873 -0.084 1.00 1.00 C ATOM 438 CD1 ILE A 31 42.158 5.043 -0.344 1.00 1.00 C ATOM 0 H ILE A 31 44.220 2.138 0.944 1.00 1.00 H new ATOM 0 HA ILE A 31 45.858 3.351 -1.019 1.00 1.00 H new ATOM 0 HB ILE A 31 44.164 4.461 1.255 1.00 1.00 H new ATOM 0 HG12 ILE A 31 43.660 4.394 -1.754 1.00 1.00 H new ATOM 0 HG13 ILE A 31 43.102 3.129 -0.677 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.307 6.623 0.049 1.00 1.00 H new ATOM 0 HG22 ILE A 31 45.915 6.087 0.592 1.00 1.00 H new ATOM 0 HG23 ILE A 31 45.443 5.899 -1.114 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.331 4.831 -1.022 1.00 1.00 H new ATOM 0 HD12 ILE A 31 41.857 4.813 0.678 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.424 6.098 -0.415 1.00 1.00 H new ATOM 450 N TYR A 32 46.793 3.657 2.142 1.00 1.00 N ATOM 451 CA TYR A 32 47.918 4.028 2.987 1.00 1.00 C ATOM 452 C TYR A 32 49.166 3.241 2.594 1.00 1.00 C ATOM 453 O TYR A 32 50.240 3.815 2.423 1.00 1.00 O ATOM 454 CB TYR A 32 47.580 3.753 4.449 1.00 1.00 C ATOM 455 CG TYR A 32 48.786 4.044 5.307 1.00 1.00 C ATOM 456 CD1 TYR A 32 49.109 5.365 5.633 1.00 1.00 C ATOM 457 CD2 TYR A 32 49.585 2.990 5.773 1.00 1.00 C ATOM 458 CE1 TYR A 32 50.229 5.634 6.428 1.00 1.00 C ATOM 459 CE2 TYR A 32 50.705 3.260 6.569 1.00 1.00 C ATOM 460 CZ TYR A 32 51.027 4.580 6.896 1.00 1.00 C ATOM 461 OH TYR A 32 52.132 4.846 7.677 1.00 1.00 O ATOM 0 H TYR A 32 46.000 3.249 2.638 1.00 1.00 H new ATOM 0 HA TYR A 32 48.116 5.091 2.853 1.00 1.00 H new ATOM 0 HB2 TYR A 32 46.740 4.373 4.762 1.00 1.00 H new ATOM 0 HB3 TYR A 32 47.274 2.714 4.573 1.00 1.00 H new ATOM 0 HD1 TYR A 32 48.495 6.177 5.272 1.00 1.00 H new ATOM 0 HD2 TYR A 32 49.337 1.970 5.518 1.00 1.00 H new ATOM 0 HE1 TYR A 32 50.479 6.654 6.681 1.00 1.00 H new ATOM 0 HE2 TYR A 32 51.320 2.449 6.930 1.00 1.00 H new ATOM 0 HH TYR A 32 52.573 4.004 7.917 1.00 1.00 H new ATOM 471 N LEU A 33 49.017 1.928 2.442 1.00 1.00 N ATOM 472 CA LEU A 33 50.145 1.084 2.062 1.00 1.00 C ATOM 473 C LEU A 33 50.656 1.483 0.681 1.00 1.00 C ATOM 474 O LEU A 33 51.862 1.584 0.456 1.00 1.00 O ATOM 475 CB LEU A 33 49.710 -0.385 2.046 1.00 1.00 C ATOM 476 CG LEU A 33 50.874 -1.291 1.620 1.00 1.00 C ATOM 477 CD1 LEU A 33 52.064 -1.104 2.567 1.00 1.00 C ATOM 478 CD2 LEU A 33 50.418 -2.750 1.664 1.00 1.00 C ATOM 0 H LEU A 33 48.137 1.430 2.574 1.00 1.00 H new ATOM 0 HA LEU A 33 50.946 1.216 2.789 1.00 1.00 H new ATOM 0 HB2 LEU A 33 49.359 -0.676 3.036 1.00 1.00 H new ATOM 0 HB3 LEU A 33 48.872 -0.514 1.360 1.00 1.00 H new ATOM 0 HG LEU A 33 51.180 -1.026 0.608 1.00 1.00 H new ATOM 0 HD11 LEU A 33 52.883 -1.752 2.254 1.00 1.00 H new ATOM 0 HD12 LEU A 33 52.392 -0.065 2.538 1.00 1.00 H new ATOM 0 HD13 LEU A 33 51.765 -1.362 3.583 1.00 1.00 H new ATOM 0 HD21 LEU A 33 51.241 -3.398 1.362 1.00 1.00 H new ATOM 0 HD22 LEU A 33 50.109 -3.004 2.678 1.00 1.00 H new ATOM 0 HD23 LEU A 33 49.578 -2.889 0.983 1.00 1.00 H new ATOM 490 N SER A 34 49.719 1.723 -0.229 1.00 1.00 N ATOM 491 CA SER A 34 50.060 2.128 -1.586 1.00 1.00 C ATOM 492 C SER A 34 50.778 3.472 -1.579 1.00 1.00 C ATOM 493 O SER A 34 51.761 3.668 -2.297 1.00 1.00 O ATOM 494 CB SER A 34 48.790 2.233 -2.429 1.00 1.00 C ATOM 495 OG SER A 34 49.136 2.594 -3.761 1.00 1.00 O ATOM 0 H SER A 34 48.718 1.644 -0.051 1.00 1.00 H new ATOM 0 HA SER A 34 50.723 1.377 -2.015 1.00 1.00 H new ATOM 0 HB2 SER A 34 48.258 1.282 -2.425 1.00 1.00 H new ATOM 0 HB3 SER A 34 48.117 2.977 -2.002 1.00 1.00 H new ATOM 0 HG SER A 34 48.323 2.660 -4.304 1.00 1.00 H new ATOM 501 N GLY A 35 50.279 4.402 -0.772 1.00 1.00 N ATOM 502 CA GLY A 35 50.877 5.727 -0.688 1.00 1.00 C ATOM 503 C GLY A 35 52.300 5.667 -0.140 1.00 1.00 C ATOM 504 O GLY A 35 53.170 6.405 -0.593 1.00 1.00 O ATOM 0 H GLY A 35 49.467 4.263 -0.171 1.00 1.00 H new ATOM 0 HA2 GLY A 35 50.886 6.186 -1.677 1.00 1.00 H new ATOM 0 HA3 GLY A 35 50.266 6.363 -0.047 1.00 1.00 H new ATOM 508 N LEU A 36 52.547 4.799 0.829 1.00 1.00 N ATOM 509 CA LEU A 36 53.876 4.683 1.413 1.00 1.00 C ATOM 510 C LEU A 36 54.886 4.249 0.354 1.00 1.00 C ATOM 511 O LEU A 36 55.995 4.787 0.284 1.00 1.00 O ATOM 512 CB LEU A 36 53.838 3.670 2.562 1.00 1.00 C ATOM 513 CG LEU A 36 55.229 3.515 3.189 1.00 1.00 C ATOM 514 CD1 LEU A 36 55.717 4.871 3.707 1.00 1.00 C ATOM 515 CD2 LEU A 36 55.149 2.524 4.355 1.00 1.00 C ATOM 0 H LEU A 36 51.851 4.168 1.226 1.00 1.00 H new ATOM 0 HA LEU A 36 54.185 5.654 1.800 1.00 1.00 H new ATOM 0 HB2 LEU A 36 53.126 3.997 3.319 1.00 1.00 H new ATOM 0 HB3 LEU A 36 53.490 2.705 2.193 1.00 1.00 H new ATOM 0 HG LEU A 36 55.926 3.145 2.437 1.00 1.00 H new ATOM 0 HD11 LEU A 36 56.706 4.756 4.152 1.00 1.00 H new ATOM 0 HD12 LEU A 36 55.771 5.578 2.880 1.00 1.00 H new ATOM 0 HD13 LEU A 36 55.022 5.245 4.459 1.00 1.00 H new ATOM 0 HD21 LEU A 36 56.136 2.410 4.804 1.00 1.00 H new ATOM 0 HD22 LEU A 36 54.450 2.898 5.103 1.00 1.00 H new ATOM 0 HD23 LEU A 36 54.804 1.557 3.988 1.00 1.00 H new ATOM 527 N ARG A 37 54.496 3.296 -0.481 1.00 1.00 N ATOM 528 CA ARG A 37 55.378 2.824 -1.539 1.00 1.00 C ATOM 529 C ARG A 37 55.703 3.965 -2.510 1.00 1.00 C ATOM 530 O ARG A 37 56.856 4.148 -2.906 1.00 1.00 O ATOM 531 CB ARG A 37 54.694 1.677 -2.289 1.00 1.00 C ATOM 532 CG ARG A 37 55.634 1.118 -3.354 1.00 1.00 C ATOM 533 CD ARG A 37 54.935 -0.015 -4.103 1.00 1.00 C ATOM 534 NE ARG A 37 55.871 -0.666 -5.006 1.00 1.00 N ATOM 535 CZ ARG A 37 55.442 -1.456 -5.979 1.00 1.00 C ATOM 536 NH1 ARG A 37 54.164 -1.674 -6.119 1.00 1.00 N ATOM 537 NH2 ARG A 37 56.297 -2.018 -6.788 1.00 1.00 N ATOM 0 H ARG A 37 53.585 2.839 -0.448 1.00 1.00 H new ATOM 0 HA ARG A 37 56.310 2.470 -1.099 1.00 1.00 H new ATOM 0 HB2 ARG A 37 54.414 0.889 -1.589 1.00 1.00 H new ATOM 0 HB3 ARG A 37 53.774 2.032 -2.754 1.00 1.00 H new ATOM 0 HG2 ARG A 37 55.922 1.906 -4.050 1.00 1.00 H new ATOM 0 HG3 ARG A 37 56.550 0.752 -2.890 1.00 1.00 H new ATOM 0 HD2 ARG A 37 54.537 -0.740 -3.393 1.00 1.00 H new ATOM 0 HD3 ARG A 37 54.088 0.378 -4.665 1.00 1.00 H new ATOM 0 HE ARG A 37 56.872 -0.512 -4.888 1.00 1.00 H new ATOM 0 HH11 ARG A 37 53.499 -1.237 -5.481 1.00 1.00 H new ATOM 0 HH12 ARG A 37 53.829 -2.282 -6.867 1.00 1.00 H new ATOM 0 HH21 ARG A 37 57.296 -1.849 -6.672 1.00 1.00 H new ATOM 0 HH22 ARG A 37 55.966 -2.626 -7.537 1.00 1.00 H new ATOM 551 N SER A 38 54.681 4.740 -2.865 1.00 1.00 N ATOM 552 CA SER A 38 54.843 5.888 -3.761 1.00 1.00 C ATOM 553 C SER A 38 55.593 7.034 -3.077 1.00 1.00 C ATOM 554 O SER A 38 56.349 7.771 -3.716 1.00 1.00 O ATOM 555 CB SER A 38 53.472 6.378 -4.225 1.00 1.00 C ATOM 556 OG SER A 38 52.694 6.727 -3.089 1.00 1.00 O ATOM 0 H SER A 38 53.724 4.594 -2.544 1.00 1.00 H new ATOM 0 HA SER A 38 55.432 5.563 -4.619 1.00 1.00 H new ATOM 0 HB2 SER A 38 53.584 7.240 -4.883 1.00 1.00 H new ATOM 0 HB3 SER A 38 52.970 5.600 -4.800 1.00 1.00 H new ATOM 0 HG SER A 38 53.096 6.337 -2.285 1.00 1.00 H new ATOM 562 N TRP A 39 55.363 7.177 -1.775 1.00 1.00 N ATOM 563 CA TRP A 39 55.995 8.233 -0.983 1.00 1.00 C ATOM 564 C TRP A 39 57.518 8.128 -0.999 1.00 1.00 C ATOM 565 O TRP A 39 58.209 9.141 -0.942 1.00 1.00 O ATOM 566 CB TRP A 39 55.502 8.181 0.466 1.00 1.00 C ATOM 567 CG TRP A 39 54.073 8.644 0.574 1.00 1.00 C ATOM 568 CD1 TRP A 39 53.254 8.982 -0.456 1.00 1.00 C ATOM 569 CD2 TRP A 39 53.289 8.847 1.789 1.00 1.00 C ATOM 570 NE1 TRP A 39 52.026 9.362 0.053 1.00 1.00 N ATOM 571 CE2 TRP A 39 52.001 9.304 1.429 1.00 1.00 C ATOM 572 CE3 TRP A 39 53.571 8.683 3.156 1.00 1.00 C ATOM 573 CZ2 TRP A 39 51.026 9.580 2.386 1.00 1.00 C ATOM 574 CZ3 TRP A 39 52.591 8.963 4.124 1.00 1.00 C ATOM 575 CH2 TRP A 39 51.323 9.415 3.739 1.00 1.00 C ATOM 0 H TRP A 39 54.740 6.571 -1.241 1.00 1.00 H new ATOM 0 HA TRP A 39 55.714 9.183 -1.438 1.00 1.00 H new ATOM 0 HB2 TRP A 39 55.586 7.162 0.845 1.00 1.00 H new ATOM 0 HB3 TRP A 39 56.138 8.807 1.092 1.00 1.00 H new ATOM 0 HD1 TRP A 39 53.519 8.958 -1.503 1.00 1.00 H new ATOM 0 HE1 TRP A 39 51.234 9.651 -0.521 1.00 1.00 H new ATOM 0 HE3 TRP A 39 54.547 8.340 3.465 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 50.047 9.919 2.082 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 52.818 8.829 5.171 1.00 1.00 H new ATOM 0 HH2 TRP A 39 50.577 9.635 4.488 1.00 1.00 H new ATOM 586 N LYS A 40 58.048 6.914 -1.056 1.00 1.00 N ATOM 587 CA LYS A 40 59.498 6.748 -1.051 1.00 1.00 C ATOM 588 C LYS A 40 60.119 7.526 -2.210 1.00 1.00 C ATOM 589 O LYS A 40 61.175 8.131 -2.030 1.00 1.00 O ATOM 590 CB LYS A 40 59.858 5.264 -1.184 1.00 1.00 C ATOM 591 CG LYS A 40 59.440 4.518 0.083 1.00 1.00 C ATOM 592 CD LYS A 40 59.828 3.042 -0.038 1.00 1.00 C ATOM 593 CE LYS A 40 59.422 2.312 1.245 1.00 1.00 C ATOM 594 NZ LYS A 40 59.781 0.868 1.143 1.00 1.00 N ATOM 0 H LYS A 40 57.512 6.047 -1.105 1.00 1.00 H new ATOM 0 HA LYS A 40 59.889 7.131 -0.109 1.00 1.00 H new ATOM 0 HB2 LYS A 40 59.358 4.835 -2.052 1.00 1.00 H new ATOM 0 HB3 LYS A 40 60.930 5.153 -1.346 1.00 1.00 H new ATOM 0 HG2 LYS A 40 59.923 4.961 0.954 1.00 1.00 H new ATOM 0 HG3 LYS A 40 58.364 4.610 0.233 1.00 1.00 H new ATOM 0 HD2 LYS A 40 59.334 2.592 -0.899 1.00 1.00 H new ATOM 0 HD3 LYS A 40 60.902 2.947 -0.201 1.00 1.00 H new ATOM 0 HE2 LYS A 40 59.923 2.760 2.103 1.00 1.00 H new ATOM 0 HE3 LYS A 40 58.350 2.418 1.410 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 59.503 0.378 2.017 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 59.284 0.443 0.335 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 60.808 0.774 1.006 1.00 1.00 H new ATOM 608 N ARG A 41 59.510 7.530 -3.386 1.00 1.00 N ATOM 609 CA ARG A 41 60.112 8.277 -4.491 1.00 1.00 C ATOM 610 C ARG A 41 60.156 9.781 -4.186 1.00 1.00 C ATOM 611 O ARG A 41 61.140 10.472 -4.451 1.00 1.00 O ATOM 612 CB ARG A 41 59.341 8.056 -5.794 1.00 1.00 C ATOM 613 CG ARG A 41 59.559 6.630 -6.297 1.00 1.00 C ATOM 614 CD ARG A 41 58.850 6.457 -7.640 1.00 1.00 C ATOM 615 NE ARG A 41 57.403 6.583 -7.488 1.00 1.00 N ATOM 616 CZ ARG A 41 56.650 5.550 -7.120 1.00 1.00 C ATOM 617 NH1 ARG A 41 57.197 4.389 -6.882 1.00 1.00 N ATOM 618 NH2 ARG A 41 55.357 5.696 -7.005 1.00 1.00 N ATOM 0 H ARG A 41 58.637 7.048 -3.601 1.00 1.00 H new ATOM 0 HA ARG A 41 61.130 7.904 -4.608 1.00 1.00 H new ATOM 0 HB2 ARG A 41 58.278 8.234 -5.631 1.00 1.00 H new ATOM 0 HB3 ARG A 41 59.672 8.770 -6.548 1.00 1.00 H new ATOM 0 HG2 ARG A 41 60.625 6.429 -6.406 1.00 1.00 H new ATOM 0 HG3 ARG A 41 59.172 5.913 -5.573 1.00 1.00 H new ATOM 0 HD2 ARG A 41 59.212 7.205 -8.345 1.00 1.00 H new ATOM 0 HD3 ARG A 41 59.092 5.480 -8.060 1.00 1.00 H new ATOM 0 HE ARG A 41 56.960 7.484 -7.668 1.00 1.00 H new ATOM 0 HH11 ARG A 41 58.206 4.271 -6.978 1.00 1.00 H new ATOM 0 HH12 ARG A 41 56.616 3.600 -6.600 1.00 1.00 H new ATOM 0 HH21 ARG A 41 54.927 6.601 -7.197 1.00 1.00 H new ATOM 0 HH22 ARG A 41 54.778 4.905 -6.723 1.00 1.00 H new ATOM 632 N HIS A 42 59.047 10.247 -3.612 1.00 1.00 N ATOM 633 CA HIS A 42 58.893 11.655 -3.229 1.00 1.00 C ATOM 634 C HIS A 42 59.749 11.987 -2.003 1.00 1.00 C ATOM 635 O HIS A 42 60.293 13.084 -1.886 1.00 1.00 O ATOM 636 CB HIS A 42 57.423 11.961 -2.932 1.00 1.00 C ATOM 637 CG HIS A 42 56.637 11.936 -4.213 1.00 1.00 C ATOM 638 ND1 HIS A 42 56.134 10.761 -4.753 1.00 1.00 N ATOM 639 CD2 HIS A 42 56.246 12.937 -5.066 1.00 1.00 C ATOM 640 CE1 HIS A 42 55.474 11.083 -5.880 1.00 1.00 C ATOM 641 NE2 HIS A 42 55.511 12.398 -6.116 1.00 1.00 N ATOM 0 H HIS A 42 58.235 9.667 -3.400 1.00 1.00 H new ATOM 0 HA HIS A 42 59.230 12.272 -4.062 1.00 1.00 H new ATOM 0 HB2 HIS A 42 57.022 11.228 -2.232 1.00 1.00 H new ATOM 0 HB3 HIS A 42 57.333 12.938 -2.456 1.00 1.00 H new ATOM 0 HD1 HIS A 42 56.245 9.824 -4.366 1.00 1.00 H new ATOM 0 HD2 HIS A 42 56.475 13.985 -4.941 1.00 1.00 H new ATOM 0 HE1 HIS A 42 54.975 10.367 -6.516 1.00 1.00 H new ATOM 649 N LEU A 43 59.868 11.016 -1.107 1.00 1.00 N ATOM 650 CA LEU A 43 60.656 11.147 0.116 1.00 1.00 C ATOM 651 C LEU A 43 62.133 10.865 -0.145 1.00 1.00 C ATOM 652 O LEU A 43 62.957 10.994 0.760 1.00 1.00 O ATOM 653 CB LEU A 43 60.134 10.208 1.215 1.00 1.00 C ATOM 654 CG LEU A 43 58.960 10.841 2.001 1.00 1.00 C ATOM 655 CD1 LEU A 43 59.519 11.777 3.074 1.00 1.00 C ATOM 656 CD2 LEU A 43 58.011 11.644 1.095 1.00 1.00 C ATOM 0 H LEU A 43 59.417 10.107 -1.208 1.00 1.00 H new ATOM 0 HA LEU A 43 60.553 12.177 0.457 1.00 1.00 H new ATOM 0 HB2 LEU A 43 59.807 9.270 0.767 1.00 1.00 H new ATOM 0 HB3 LEU A 43 60.944 9.967 1.903 1.00 1.00 H new ATOM 0 HG LEU A 43 58.390 10.025 2.446 1.00 1.00 H new ATOM 0 HD11 LEU A 43 58.696 12.225 3.630 1.00 1.00 H new ATOM 0 HD12 LEU A 43 60.153 11.211 3.757 1.00 1.00 H new ATOM 0 HD13 LEU A 43 60.108 12.563 2.601 1.00 1.00 H new ATOM 0 HD21 LEU A 43 57.206 12.067 1.696 1.00 1.00 H new ATOM 0 HD22 LEU A 43 58.564 12.449 0.612 1.00 1.00 H new ATOM 0 HD23 LEU A 43 57.590 10.986 0.335 1.00 1.00 H new ATOM 668 N SER A 44 62.464 10.420 -1.354 1.00 1.00 N ATOM 669 CA SER A 44 63.840 10.059 -1.676 1.00 1.00 C ATOM 670 C SER A 44 64.826 11.165 -1.304 1.00 1.00 C ATOM 671 O SER A 44 65.905 10.867 -0.791 1.00 1.00 O ATOM 672 CB SER A 44 63.955 9.752 -3.168 1.00 1.00 C ATOM 673 OG SER A 44 63.672 10.931 -3.911 1.00 1.00 O ATOM 0 H SER A 44 61.803 10.301 -2.122 1.00 1.00 H new ATOM 0 HA SER A 44 64.095 9.177 -1.089 1.00 1.00 H new ATOM 0 HB2 SER A 44 64.957 9.393 -3.401 1.00 1.00 H new ATOM 0 HB3 SER A 44 63.260 8.959 -3.443 1.00 1.00 H new ATOM 0 HG SER A 44 62.837 10.811 -4.410 1.00 1.00 H new ATOM 679 N ARG A 45 64.500 12.428 -1.571 1.00 1.00 N ATOM 680 CA ARG A 45 65.448 13.498 -1.254 1.00 1.00 C ATOM 681 C ARG A 45 65.741 13.536 0.248 1.00 1.00 C ATOM 682 O ARG A 45 66.901 13.558 0.665 1.00 1.00 O ATOM 683 CB ARG A 45 64.871 14.851 -1.688 1.00 1.00 C ATOM 684 CG ARG A 45 64.856 14.933 -3.218 1.00 1.00 C ATOM 685 CD ARG A 45 64.228 16.256 -3.658 1.00 1.00 C ATOM 686 NE ARG A 45 62.806 16.278 -3.333 1.00 1.00 N ATOM 687 CZ ARG A 45 62.059 17.341 -3.607 1.00 1.00 C ATOM 688 NH1 ARG A 45 62.605 18.391 -4.154 1.00 1.00 N ATOM 689 NH2 ARG A 45 60.782 17.336 -3.326 1.00 1.00 N ATOM 0 H ARG A 45 63.621 12.731 -1.990 1.00 1.00 H new ATOM 0 HA ARG A 45 66.376 13.301 -1.791 1.00 1.00 H new ATOM 0 HB2 ARG A 45 63.861 14.970 -1.297 1.00 1.00 H new ATOM 0 HB3 ARG A 45 65.470 15.663 -1.276 1.00 1.00 H new ATOM 0 HG2 ARG A 45 65.872 14.855 -3.606 1.00 1.00 H new ATOM 0 HG3 ARG A 45 64.292 14.097 -3.631 1.00 1.00 H new ATOM 0 HD2 ARG A 45 64.733 17.087 -3.165 1.00 1.00 H new ATOM 0 HD3 ARG A 45 64.364 16.391 -4.731 1.00 1.00 H new ATOM 0 HE ARG A 45 62.379 15.465 -2.889 1.00 1.00 H new ATOM 0 HH11 ARG A 45 63.602 18.394 -4.370 1.00 1.00 H new ATOM 0 HH12 ARG A 45 62.035 19.210 -4.366 1.00 1.00 H new ATOM 0 HH21 ARG A 45 60.358 16.514 -2.895 1.00 1.00 H new ATOM 0 HH22 ARG A 45 60.210 18.154 -3.537 1.00 1.00 H new ATOM 703 N PHE A 46 64.686 13.536 1.060 1.00 1.00 N ATOM 704 CA PHE A 46 64.831 13.569 2.514 1.00 1.00 C ATOM 705 C PHE A 46 65.501 12.302 3.027 1.00 1.00 C ATOM 706 O PHE A 46 66.344 12.346 3.928 1.00 1.00 O ATOM 707 CB PHE A 46 63.456 13.711 3.165 1.00 1.00 C ATOM 708 CG PHE A 46 62.907 15.093 2.894 1.00 1.00 C ATOM 709 CD1 PHE A 46 63.235 16.159 3.742 1.00 1.00 C ATOM 710 CD2 PHE A 46 62.069 15.308 1.794 1.00 1.00 C ATOM 711 CE1 PHE A 46 62.723 17.438 3.490 1.00 1.00 C ATOM 712 CE2 PHE A 46 61.556 16.585 1.542 1.00 1.00 C ATOM 713 CZ PHE A 46 61.882 17.650 2.390 1.00 1.00 C ATOM 0 H PHE A 46 63.719 13.513 0.735 1.00 1.00 H new ATOM 0 HA PHE A 46 65.457 14.423 2.774 1.00 1.00 H new ATOM 0 HB2 PHE A 46 62.776 12.955 2.772 1.00 1.00 H new ATOM 0 HB3 PHE A 46 63.532 13.543 4.239 1.00 1.00 H new ATOM 0 HD1 PHE A 46 63.883 15.994 4.590 1.00 1.00 H new ATOM 0 HD2 PHE A 46 61.818 14.487 1.139 1.00 1.00 H new ATOM 0 HE1 PHE A 46 62.976 18.260 4.143 1.00 1.00 H new ATOM 0 HE2 PHE A 46 60.909 16.749 0.693 1.00 1.00 H new ATOM 0 HZ PHE A 46 61.485 18.635 2.196 1.00 1.00 H new ATOM 723 N TRP A 47 65.108 11.176 2.455 1.00 1.00 N ATOM 724 CA TRP A 47 65.657 9.889 2.856 1.00 1.00 C ATOM 725 C TRP A 47 67.160 9.820 2.614 1.00 1.00 C ATOM 726 O TRP A 47 67.914 9.334 3.458 1.00 1.00 O ATOM 727 CB TRP A 47 64.964 8.776 2.077 1.00 1.00 C ATOM 728 CG TRP A 47 65.696 7.496 2.295 1.00 1.00 C ATOM 729 CD1 TRP A 47 66.470 6.874 1.376 1.00 1.00 C ATOM 730 CD2 TRP A 47 65.738 6.676 3.494 1.00 1.00 C ATOM 731 NE1 TRP A 47 66.975 5.714 1.935 1.00 1.00 N ATOM 732 CE2 TRP A 47 66.556 5.553 3.240 1.00 1.00 C ATOM 733 CE3 TRP A 47 65.151 6.798 4.768 1.00 1.00 C ATOM 734 CZ2 TRP A 47 66.781 4.580 4.213 1.00 1.00 C ATOM 735 CZ3 TRP A 47 65.378 5.821 5.751 1.00 1.00 C ATOM 736 CH2 TRP A 47 66.193 4.714 5.472 1.00 1.00 C ATOM 0 H TRP A 47 64.411 11.126 1.712 1.00 1.00 H new ATOM 0 HA TRP A 47 65.482 9.766 3.925 1.00 1.00 H new ATOM 0 HB2 TRP A 47 63.929 8.677 2.404 1.00 1.00 H new ATOM 0 HB3 TRP A 47 64.941 9.019 1.015 1.00 1.00 H new ATOM 0 HD1 TRP A 47 66.662 7.225 0.373 1.00 1.00 H new ATOM 0 HE1 TRP A 47 67.582 5.058 1.443 1.00 1.00 H new ATOM 0 HE3 TRP A 47 64.523 7.648 4.991 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 67.407 3.727 3.994 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 64.923 5.922 6.725 1.00 1.00 H new ATOM 0 HH2 TRP A 47 66.366 3.965 6.231 1.00 1.00 H new ATOM 747 N ASN A 48 67.592 10.321 1.462 1.00 1.00 N ATOM 748 CA ASN A 48 69.009 10.318 1.123 1.00 1.00 C ATOM 749 C ASN A 48 69.790 11.178 2.111 1.00 1.00 C ATOM 750 O ASN A 48 70.887 10.811 2.535 1.00 1.00 O ATOM 751 CB ASN A 48 69.205 10.863 -0.292 1.00 1.00 C ATOM 752 CG ASN A 48 70.687 10.883 -0.649 1.00 1.00 C ATOM 753 OD1 ASN A 48 71.544 10.724 0.222 1.00 1.00 O ATOM 754 ND2 ASN A 48 71.042 11.076 -1.889 1.00 1.00 N ATOM 0 H ASN A 48 66.986 10.732 0.752 1.00 1.00 H new ATOM 0 HA ASN A 48 69.378 9.294 1.173 1.00 1.00 H new ATOM 0 HB2 ASN A 48 68.660 10.245 -1.006 1.00 1.00 H new ATOM 0 HB3 ASN A 48 68.793 11.870 -0.362 1.00 1.00 H new ATOM 0 HD21 ASN A 48 72.031 11.096 -2.139 1.00 1.00 H new ATOM 0 HD22 ASN A 48 70.331 11.207 -2.608 1.00 1.00 H new ATOM 761 N ASP A 49 69.221 12.321 2.478 1.00 1.00 N ATOM 762 CA ASP A 49 69.880 13.220 3.417 1.00 1.00 C ATOM 763 C ASP A 49 70.074 12.533 4.761 1.00 1.00 C ATOM 764 O ASP A 49 71.118 12.681 5.396 1.00 1.00 O ATOM 765 CB ASP A 49 69.042 14.482 3.611 1.00 1.00 C ATOM 766 CG ASP A 49 69.736 15.426 4.588 1.00 1.00 C ATOM 767 OD1 ASP A 49 70.750 15.037 5.146 1.00 1.00 O ATOM 768 OD2 ASP A 49 69.245 16.530 4.761 1.00 1.00 O ATOM 0 H ASP A 49 68.313 12.645 2.143 1.00 1.00 H new ATOM 0 HA ASP A 49 70.854 13.490 3.009 1.00 1.00 H new ATOM 0 HB2 ASP A 49 68.895 14.981 2.653 1.00 1.00 H new ATOM 0 HB3 ASP A 49 68.054 14.218 3.988 1.00 1.00 H new ATOM 773 N PHE A 50 69.061 11.786 5.187 1.00 1.00 N ATOM 774 CA PHE A 50 69.132 11.078 6.461 1.00 1.00 C ATOM 775 C PHE A 50 68.738 9.615 6.287 1.00 1.00 C ATOM 776 O PHE A 50 67.668 9.250 6.749 1.00 1.00 O ATOM 777 CB PHE A 50 68.213 11.747 7.486 1.00 1.00 C ATOM 778 CG PHE A 50 68.753 13.115 7.826 1.00 1.00 C ATOM 779 CD1 PHE A 50 69.748 13.249 8.802 1.00 1.00 C ATOM 780 CD2 PHE A 50 68.258 14.247 7.168 1.00 1.00 C ATOM 781 CE1 PHE A 50 70.249 14.516 9.118 1.00 1.00 C ATOM 782 CE2 PHE A 50 68.759 15.514 7.484 1.00 1.00 C ATOM 783 CZ PHE A 50 69.754 15.650 8.460 1.00 1.00 C ATOM 784 OXT PHE A 50 69.514 8.881 5.699 1.00 1.00 O ATOM 0 H PHE A 50 68.189 11.655 4.675 1.00 1.00 H new ATOM 0 HA PHE A 50 70.160 11.120 6.821 1.00 1.00 H new ATOM 0 HB2 PHE A 50 67.203 11.832 7.085 1.00 1.00 H new ATOM 0 HB3 PHE A 50 68.148 11.136 8.386 1.00 1.00 H new ATOM 0 HD1 PHE A 50 70.128 12.375 9.310 1.00 1.00 H new ATOM 0 HD2 PHE A 50 67.489 14.142 6.417 1.00 1.00 H new ATOM 0 HE1 PHE A 50 71.018 14.620 9.869 1.00 1.00 H new ATOM 0 HE2 PHE A 50 68.379 16.387 6.975 1.00 1.00 H new ATOM 0 HZ PHE A 50 70.140 16.628 8.706 1.00 1.00 H new TER 794 PHE A 50