USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0.889 K(o=0.89,f=-0.37) USER MOD Single : A 7 THR OG1 : rot 108:sc= 1.13 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.191 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 1.3 (180deg=1.27) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0194) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.22) USER MOD Single : A 28 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.31) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.832 -9.894 6.960 1.00 0.00 N ATOM 2 CA GLY A 1 21.315 -8.696 7.649 1.00 0.00 C ATOM 3 C GLY A 1 20.002 -8.233 7.031 1.00 0.00 C ATOM 4 O GLY A 1 19.976 -7.779 5.880 1.00 0.00 O ATOM 0 H1 GLY A 1 22.727 -10.189 7.400 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.138 -10.665 7.036 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.996 -9.674 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.165 -8.916 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.051 -7.894 7.592 1.00 0.00 H new ATOM 10 N SER A 2 18.899 -8.342 7.781 1.00 0.00 N ATOM 11 CA SER A 2 17.569 -7.907 7.358 1.00 0.00 C ATOM 12 C SER A 2 17.545 -6.398 7.055 1.00 0.00 C ATOM 13 O SER A 2 18.321 -5.622 7.623 1.00 0.00 O ATOM 14 CB SER A 2 16.557 -8.256 8.459 1.00 0.00 C ATOM 15 OG SER A 2 16.706 -9.607 8.878 1.00 0.00 O ATOM 0 H SER A 2 18.910 -8.744 8.718 1.00 0.00 H new ATOM 0 HA SER A 2 17.301 -8.425 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.696 -7.590 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.544 -8.095 8.091 1.00 0.00 H new ATOM 0 HG SER A 2 16.052 -9.806 9.581 1.00 0.00 H new ATOM 21 N GLY A 3 16.628 -5.977 6.182 1.00 0.00 N ATOM 22 CA GLY A 3 16.447 -4.591 5.776 1.00 0.00 C ATOM 23 C GLY A 3 15.355 -4.496 4.712 1.00 0.00 C ATOM 24 O GLY A 3 14.751 -5.509 4.343 1.00 0.00 O ATOM 0 H GLY A 3 15.974 -6.614 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 3 16.178 -3.983 6.640 1.00 0.00 H new ATOM 0 HA3 GLY A 3 17.383 -4.193 5.384 1.00 0.00 H new ATOM 28 N GLN A 4 15.106 -3.282 4.221 1.00 0.00 N ATOM 29 CA GLN A 4 14.163 -2.990 3.145 1.00 0.00 C ATOM 30 C GLN A 4 14.629 -1.738 2.403 1.00 0.00 C ATOM 31 O GLN A 4 15.456 -0.980 2.921 1.00 0.00 O ATOM 32 CB GLN A 4 12.728 -2.854 3.700 1.00 0.00 C ATOM 33 CG GLN A 4 12.498 -1.809 4.816 1.00 0.00 C ATOM 34 CD GLN A 4 11.093 -1.950 5.425 1.00 0.00 C ATOM 35 OE1 GLN A 4 10.638 -3.051 5.734 1.00 0.00 O ATOM 36 NE2 GLN A 4 10.355 -0.872 5.628 1.00 0.00 N ATOM 0 H GLN A 4 15.572 -2.447 4.575 1.00 0.00 H new ATOM 0 HA GLN A 4 14.138 -3.815 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.066 -2.612 2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 4 12.419 -3.828 4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.250 -1.933 5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 4 12.623 -0.805 4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.717 0.048 5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.424 -0.961 6.035 1.00 0.00 H new ATOM 45 N VAL A 5 14.078 -1.509 1.209 1.00 0.00 N ATOM 46 CA VAL A 5 14.338 -0.326 0.397 1.00 0.00 C ATOM 47 C VAL A 5 12.997 0.112 -0.196 1.00 0.00 C ATOM 48 O VAL A 5 12.255 -0.711 -0.739 1.00 0.00 O ATOM 49 CB VAL A 5 15.384 -0.581 -0.719 1.00 0.00 C ATOM 50 CG1 VAL A 5 16.153 0.717 -1.009 1.00 0.00 C ATOM 51 CG2 VAL A 5 16.400 -1.698 -0.424 1.00 0.00 C ATOM 0 H VAL A 5 13.424 -2.159 0.773 1.00 0.00 H new ATOM 0 HA VAL A 5 14.769 0.456 1.022 1.00 0.00 H new ATOM 0 HB VAL A 5 14.805 -0.918 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.888 0.537 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.455 1.488 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 5 16.662 1.048 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 5 17.086 -1.797 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.962 -1.450 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.872 -2.640 -0.274 1.00 0.00 H new ATOM 61 N ARG A 6 12.685 1.403 -0.081 1.00 0.00 N ATOM 62 CA ARG A 6 11.541 2.067 -0.697 1.00 0.00 C ATOM 63 C ARG A 6 11.835 3.562 -0.720 1.00 0.00 C ATOM 64 O ARG A 6 12.658 4.023 0.074 1.00 0.00 O ATOM 65 CB ARG A 6 10.233 1.776 0.076 1.00 0.00 C ATOM 66 CG ARG A 6 10.237 2.129 1.579 1.00 0.00 C ATOM 67 CD ARG A 6 8.824 1.952 2.149 1.00 0.00 C ATOM 68 NE ARG A 6 8.734 2.245 3.593 1.00 0.00 N ATOM 69 CZ ARG A 6 7.607 2.566 4.241 1.00 0.00 C ATOM 70 NH1 ARG A 6 6.460 2.730 3.582 1.00 0.00 N ATOM 71 NH2 ARG A 6 7.621 2.718 5.558 1.00 0.00 N ATOM 0 H ARG A 6 13.253 2.044 0.473 1.00 0.00 H new ATOM 0 HA ARG A 6 11.394 1.690 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.422 2.325 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.003 0.715 -0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.939 1.488 2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.572 3.156 1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.138 2.605 1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.494 0.928 1.972 1.00 0.00 H new ATOM 0 HE ARG A 6 9.595 2.200 4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.432 2.611 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.610 2.974 4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.490 2.590 6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.763 2.963 6.052 1.00 0.00 H new ATOM 85 N THR A 7 11.164 4.307 -1.591 1.00 0.00 N ATOM 86 CA THR A 7 11.169 5.764 -1.581 1.00 0.00 C ATOM 87 C THR A 7 9.883 6.216 -0.884 1.00 0.00 C ATOM 88 O THR A 7 8.872 5.505 -0.893 1.00 0.00 O ATOM 89 CB THR A 7 11.298 6.285 -3.023 1.00 0.00 C ATOM 90 OG1 THR A 7 12.339 5.588 -3.688 1.00 0.00 O ATOM 91 CG2 THR A 7 11.654 7.771 -3.103 1.00 0.00 C ATOM 0 H THR A 7 10.592 3.909 -2.336 1.00 0.00 H new ATOM 0 HA THR A 7 12.018 6.173 -1.034 1.00 0.00 H new ATOM 0 HB THR A 7 10.322 6.129 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.953 4.974 -4.347 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.729 8.071 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.878 8.358 -2.612 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.609 7.944 -2.606 1.00 0.00 H new ATOM 99 N ILE A 8 9.930 7.397 -0.272 1.00 0.00 N ATOM 100 CA ILE A 8 8.828 7.971 0.502 1.00 0.00 C ATOM 101 C ILE A 8 8.305 9.222 -0.221 1.00 0.00 C ATOM 102 O ILE A 8 8.914 9.675 -1.193 1.00 0.00 O ATOM 103 CB ILE A 8 9.285 8.239 1.960 1.00 0.00 C ATOM 104 CG1 ILE A 8 10.113 9.527 2.079 1.00 0.00 C ATOM 105 CG2 ILE A 8 10.063 7.032 2.531 1.00 0.00 C ATOM 106 CD1 ILE A 8 10.444 9.855 3.533 1.00 0.00 C ATOM 0 H ILE A 8 10.754 7.997 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 8 7.996 7.271 0.572 1.00 0.00 H new ATOM 0 HB ILE A 8 8.382 8.378 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.037 9.419 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.562 10.356 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.371 7.248 3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.423 6.150 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.945 6.845 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.030 10.773 3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.520 9.989 4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.018 9.037 3.969 1.00 0.00 H new ATOM 118 N TRP A 9 7.212 9.811 0.273 1.00 0.00 N ATOM 119 CA TRP A 9 6.699 11.085 -0.216 1.00 0.00 C ATOM 120 C TRP A 9 6.024 11.805 0.953 1.00 0.00 C ATOM 121 O TRP A 9 4.797 11.863 1.048 1.00 0.00 O ATOM 122 CB TRP A 9 5.805 10.883 -1.456 1.00 0.00 C ATOM 123 CG TRP A 9 6.024 11.874 -2.562 1.00 0.00 C ATOM 124 CD1 TRP A 9 6.642 11.589 -3.728 1.00 0.00 C ATOM 125 CD2 TRP A 9 5.697 13.301 -2.635 1.00 0.00 C ATOM 126 NE1 TRP A 9 6.644 12.695 -4.548 1.00 0.00 N ATOM 127 CE2 TRP A 9 6.080 13.785 -3.924 1.00 0.00 C ATOM 128 CE3 TRP A 9 5.138 14.244 -1.744 1.00 0.00 C ATOM 129 CZ2 TRP A 9 5.877 15.115 -4.323 1.00 0.00 C ATOM 130 CZ3 TRP A 9 4.971 15.593 -2.119 1.00 0.00 C ATOM 131 CH2 TRP A 9 5.322 16.025 -3.410 1.00 0.00 C ATOM 0 H TRP A 9 6.657 9.410 1.029 1.00 0.00 H new ATOM 0 HA TRP A 9 7.504 11.728 -0.571 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.974 9.880 -1.848 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.761 10.932 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.073 10.631 -3.981 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.016 12.706 -5.498 1.00 0.00 H new ATOM 0 HE3 TRP A 9 4.833 13.926 -0.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.144 15.434 -5.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 4.570 16.300 -1.408 1.00 0.00 H new ATOM 0 HH2 TRP A 9 5.165 17.054 -3.698 1.00 0.00 H new ATOM 142 N VAL A 10 6.836 12.305 1.888 1.00 0.00 N ATOM 143 CA VAL A 10 6.353 13.061 3.044 1.00 0.00 C ATOM 144 C VAL A 10 7.042 14.422 3.073 1.00 0.00 C ATOM 145 O VAL A 10 8.136 14.595 2.529 1.00 0.00 O ATOM 146 CB VAL A 10 6.536 12.274 4.365 1.00 0.00 C ATOM 147 CG1 VAL A 10 5.916 10.870 4.310 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.003 12.174 4.802 1.00 0.00 C ATOM 0 H VAL A 10 7.850 12.196 1.864 1.00 0.00 H new ATOM 0 HA VAL A 10 5.279 13.220 2.946 1.00 0.00 H new ATOM 0 HB VAL A 10 5.998 12.857 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.075 10.365 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.846 10.952 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.386 10.296 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.068 11.612 5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.579 11.664 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.406 13.175 4.954 1.00 0.00 H new ATOM 158 N GLY A 11 6.410 15.373 3.750 1.00 0.00 N ATOM 159 CA GLY A 11 6.982 16.670 4.052 1.00 0.00 C ATOM 160 C GLY A 11 6.107 17.369 5.081 1.00 0.00 C ATOM 161 O GLY A 11 4.879 17.316 4.976 1.00 0.00 O ATOM 0 H GLY A 11 5.463 15.256 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.996 16.554 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.051 17.271 3.146 1.00 0.00 H new ATOM 165 N GLY A 12 6.733 17.988 6.084 1.00 0.00 N ATOM 166 CA GLY A 12 6.054 18.715 7.152 1.00 0.00 C ATOM 167 C GLY A 12 5.025 17.881 7.924 1.00 0.00 C ATOM 168 O GLY A 12 4.097 18.454 8.501 1.00 0.00 O ATOM 0 H GLY A 12 7.749 17.996 6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.800 19.090 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.554 19.584 6.724 1.00 0.00 H new ATOM 172 N THR A 13 5.139 16.549 7.927 1.00 0.00 N ATOM 173 CA THR A 13 4.268 15.666 8.683 1.00 0.00 C ATOM 174 C THR A 13 4.545 15.859 10.185 1.00 0.00 C ATOM 175 O THR A 13 5.670 16.206 10.564 1.00 0.00 O ATOM 176 CB THR A 13 4.477 14.227 8.176 1.00 0.00 C ATOM 177 OG1 THR A 13 5.851 13.955 7.951 1.00 0.00 O ATOM 178 CG2 THR A 13 3.753 14.019 6.842 1.00 0.00 C ATOM 0 H THR A 13 5.853 16.054 7.393 1.00 0.00 H new ATOM 0 HA THR A 13 3.213 15.898 8.538 1.00 0.00 H new ATOM 0 HB THR A 13 4.082 13.562 8.944 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.954 13.034 7.631 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.911 12.997 6.498 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.686 14.196 6.976 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.146 14.716 6.102 1.00 0.00 H new ATOM 186 N PRO A 14 3.543 15.659 11.061 1.00 0.00 N ATOM 187 CA PRO A 14 3.685 15.967 12.482 1.00 0.00 C ATOM 188 C PRO A 14 4.652 15.007 13.185 1.00 0.00 C ATOM 189 O PRO A 14 5.252 15.376 14.195 1.00 0.00 O ATOM 190 CB PRO A 14 2.268 15.883 13.062 1.00 0.00 C ATOM 191 CG PRO A 14 1.537 14.933 12.114 1.00 0.00 C ATOM 192 CD PRO A 14 2.182 15.234 10.762 1.00 0.00 C ATOM 0 HA PRO A 14 4.118 16.956 12.633 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.276 15.500 14.083 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.790 16.862 13.093 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.673 13.891 12.403 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.464 15.123 12.100 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.179 14.352 10.122 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.635 16.014 10.232 1.00 0.00 H new ATOM 200 N GLU A 15 4.809 13.786 12.658 1.00 0.00 N ATOM 201 CA GLU A 15 5.679 12.759 13.213 1.00 0.00 C ATOM 202 C GLU A 15 6.046 11.691 12.172 1.00 0.00 C ATOM 203 O GLU A 15 6.967 10.911 12.405 1.00 0.00 O ATOM 204 CB GLU A 15 4.990 12.119 14.435 1.00 0.00 C ATOM 205 CG GLU A 15 6.006 11.508 15.408 1.00 0.00 C ATOM 206 CD GLU A 15 5.319 10.975 16.675 1.00 0.00 C ATOM 207 OE1 GLU A 15 5.064 11.759 17.618 1.00 0.00 O ATOM 208 OE2 GLU A 15 5.056 9.754 16.745 1.00 0.00 O ATOM 0 H GLU A 15 4.320 13.485 11.815 1.00 0.00 H new ATOM 0 HA GLU A 15 6.613 13.229 13.522 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.398 12.873 14.954 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.299 11.346 14.099 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.542 10.697 14.915 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.746 12.259 15.683 1.00 0.00 H new ATOM 215 N GLU A 16 5.377 11.630 11.011 1.00 0.00 N ATOM 216 CA GLU A 16 5.626 10.537 10.068 1.00 0.00 C ATOM 217 C GLU A 16 7.045 10.625 9.507 1.00 0.00 C ATOM 218 O GLU A 16 7.712 9.604 9.385 1.00 0.00 O ATOM 219 CB GLU A 16 4.581 10.499 8.943 1.00 0.00 C ATOM 220 CG GLU A 16 3.160 10.354 9.505 1.00 0.00 C ATOM 221 CD GLU A 16 2.118 10.158 8.390 1.00 0.00 C ATOM 222 OE1 GLU A 16 1.929 9.012 7.921 1.00 0.00 O ATOM 223 OE2 GLU A 16 1.455 11.142 7.992 1.00 0.00 O ATOM 0 H GLU A 16 4.677 12.308 10.710 1.00 0.00 H new ATOM 0 HA GLU A 16 5.532 9.600 10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.648 11.411 8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.796 9.667 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.125 9.505 10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.907 11.241 10.086 1.00 0.00 H new ATOM 230 N LEU A 17 7.564 11.834 9.262 1.00 0.00 N ATOM 231 CA LEU A 17 8.958 12.022 8.873 1.00 0.00 C ATOM 232 C LEU A 17 9.925 11.623 9.985 1.00 0.00 C ATOM 233 O LEU A 17 11.066 11.297 9.677 1.00 0.00 O ATOM 234 CB LEU A 17 9.235 13.422 8.296 1.00 0.00 C ATOM 235 CG LEU A 17 8.919 14.602 9.222 1.00 0.00 C ATOM 236 CD1 LEU A 17 10.022 14.922 10.240 1.00 0.00 C ATOM 237 CD2 LEU A 17 8.668 15.864 8.385 1.00 0.00 C ATOM 0 H LEU A 17 7.030 12.701 9.328 1.00 0.00 H new ATOM 0 HA LEU A 17 9.146 11.333 8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.287 13.477 8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.655 13.538 7.381 1.00 0.00 H new ATOM 0 HG LEU A 17 8.036 14.300 9.786 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.716 15.769 10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.191 14.054 10.878 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.943 15.170 9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.444 16.701 9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.557 16.094 7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.825 15.695 7.715 1.00 0.00 H new ATOM 249 N LYS A 18 9.501 11.584 11.256 1.00 0.00 N ATOM 250 CA LYS A 18 10.355 11.109 12.345 1.00 0.00 C ATOM 251 C LYS A 18 10.392 9.584 12.316 1.00 0.00 C ATOM 252 O LYS A 18 11.475 9.003 12.369 1.00 0.00 O ATOM 253 CB LYS A 18 9.862 11.654 13.698 1.00 0.00 C ATOM 254 CG LYS A 18 10.873 11.395 14.825 1.00 0.00 C ATOM 255 CD LYS A 18 10.365 11.970 16.155 1.00 0.00 C ATOM 256 CE LYS A 18 11.318 11.682 17.327 1.00 0.00 C ATOM 257 NZ LYS A 18 12.604 12.419 17.229 1.00 0.00 N ATOM 0 H LYS A 18 8.570 11.877 11.552 1.00 0.00 H new ATOM 0 HA LYS A 18 11.371 11.480 12.212 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.680 12.725 13.613 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.910 11.188 13.951 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.043 10.323 14.928 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.832 11.847 14.571 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.234 13.047 16.054 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.384 11.549 16.377 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.825 11.948 18.262 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.522 10.612 17.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.202 12.183 18.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.093 12.148 16.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.418 13.442 17.220 1.00 0.00 H new ATOM 271 N LYS A 19 9.237 8.925 12.163 1.00 0.00 N ATOM 272 CA LYS A 19 9.186 7.472 11.982 1.00 0.00 C ATOM 273 C LYS A 19 9.990 7.063 10.752 1.00 0.00 C ATOM 274 O LYS A 19 10.790 6.134 10.829 1.00 0.00 O ATOM 275 CB LYS A 19 7.729 6.985 11.864 1.00 0.00 C ATOM 276 CG LYS A 19 7.167 6.394 13.165 1.00 0.00 C ATOM 277 CD LYS A 19 7.120 7.365 14.354 1.00 0.00 C ATOM 278 CE LYS A 19 6.542 6.614 15.565 1.00 0.00 C ATOM 279 NZ LYS A 19 6.542 7.430 16.802 1.00 0.00 N ATOM 0 H LYS A 19 8.323 9.378 12.161 1.00 0.00 H new ATOM 0 HA LYS A 19 9.629 7.001 12.859 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.101 7.820 11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.670 6.232 11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.158 6.029 12.974 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.771 5.531 13.444 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.119 7.738 14.580 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.503 8.231 14.114 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.522 6.303 15.341 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.122 5.707 15.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.287 6.831 17.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.489 7.832 16.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.850 8.200 16.710 1.00 0.00 H new ATOM 293 N LEU A 20 9.811 7.750 9.623 1.00 0.00 N ATOM 294 CA LEU A 20 10.516 7.410 8.394 1.00 0.00 C ATOM 295 C LEU A 20 12.000 7.752 8.513 1.00 0.00 C ATOM 296 O LEU A 20 12.817 6.986 8.014 1.00 0.00 O ATOM 297 CB LEU A 20 9.846 8.057 7.168 1.00 0.00 C ATOM 298 CG LEU A 20 8.418 7.524 6.892 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.784 8.247 5.711 1.00 0.00 C ATOM 300 CD2 LEU A 20 8.380 6.014 6.618 1.00 0.00 C ATOM 0 H LEU A 20 9.181 8.547 9.538 1.00 0.00 H new ATOM 0 HA LEU A 20 10.452 6.333 8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.800 9.136 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.467 7.882 6.290 1.00 0.00 H new ATOM 0 HG LEU A 20 7.853 7.718 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.782 7.854 5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.723 9.314 5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.393 8.092 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.352 5.704 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.991 5.787 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.770 5.477 7.483 1.00 0.00 H new ATOM 312 N LYS A 21 12.394 8.822 9.219 1.00 0.00 N ATOM 313 CA LYS A 21 13.811 9.047 9.529 1.00 0.00 C ATOM 314 C LYS A 21 14.379 7.886 10.349 1.00 0.00 C ATOM 315 O LYS A 21 15.475 7.428 10.047 1.00 0.00 O ATOM 316 CB LYS A 21 14.006 10.401 10.237 1.00 0.00 C ATOM 317 CG LYS A 21 15.451 10.731 10.655 1.00 0.00 C ATOM 318 CD LYS A 21 16.456 10.723 9.489 1.00 0.00 C ATOM 319 CE LYS A 21 17.839 11.251 9.904 1.00 0.00 C ATOM 320 NZ LYS A 21 17.853 12.714 10.168 1.00 0.00 N ATOM 0 H LYS A 21 11.761 9.535 9.581 1.00 0.00 H new ATOM 0 HA LYS A 21 14.369 9.086 8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.648 11.191 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.376 10.420 11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.466 11.713 11.128 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.775 10.010 11.406 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.557 9.707 9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.067 11.333 8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.168 10.724 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.558 11.023 9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.827 13.023 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.487 13.220 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.255 12.924 10.992 1.00 0.00 H new ATOM 334 N GLU A 22 13.652 7.370 11.341 1.00 0.00 N ATOM 335 CA GLU A 22 14.088 6.195 12.092 1.00 0.00 C ATOM 336 C GLU A 22 14.219 4.992 11.159 1.00 0.00 C ATOM 337 O GLU A 22 15.208 4.270 11.237 1.00 0.00 O ATOM 338 CB GLU A 22 13.136 5.936 13.269 1.00 0.00 C ATOM 339 CG GLU A 22 13.755 4.976 14.292 1.00 0.00 C ATOM 340 CD GLU A 22 12.777 4.666 15.435 1.00 0.00 C ATOM 341 OE1 GLU A 22 12.662 5.472 16.386 1.00 0.00 O ATOM 342 OE2 GLU A 22 12.142 3.588 15.405 1.00 0.00 O ATOM 0 H GLU A 22 12.755 7.750 11.643 1.00 0.00 H new ATOM 0 HA GLU A 22 15.076 6.375 12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.892 6.880 13.756 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.200 5.519 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.042 4.049 13.796 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.666 5.415 14.700 1.00 0.00 H new ATOM 349 N GLU A 23 13.299 4.813 10.211 1.00 0.00 N ATOM 350 CA GLU A 23 13.402 3.786 9.185 1.00 0.00 C ATOM 351 C GLU A 23 14.638 4.004 8.300 1.00 0.00 C ATOM 352 O GLU A 23 15.259 3.025 7.904 1.00 0.00 O ATOM 353 CB GLU A 23 12.086 3.702 8.396 1.00 0.00 C ATOM 354 CG GLU A 23 11.946 2.358 7.657 1.00 0.00 C ATOM 355 CD GLU A 23 10.606 2.230 6.915 1.00 0.00 C ATOM 356 OE1 GLU A 23 9.537 2.425 7.532 1.00 0.00 O ATOM 357 OE2 GLU A 23 10.587 1.894 5.708 1.00 0.00 O ATOM 0 H GLU A 23 12.457 5.383 10.137 1.00 0.00 H new ATOM 0 HA GLU A 23 13.552 2.815 9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.245 3.831 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.041 4.519 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.764 2.252 6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.040 1.542 8.373 1.00 0.00 H new ATOM 364 N ALA A 24 15.080 5.243 8.056 1.00 0.00 N ATOM 365 CA ALA A 24 16.331 5.513 7.347 1.00 0.00 C ATOM 366 C ALA A 24 17.559 5.100 8.165 1.00 0.00 C ATOM 367 O ALA A 24 18.599 4.779 7.589 1.00 0.00 O ATOM 368 CB ALA A 24 16.449 6.999 6.998 1.00 0.00 C ATOM 0 H ALA A 24 14.580 6.084 8.345 1.00 0.00 H new ATOM 0 HA ALA A 24 16.304 4.917 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.387 7.176 6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.614 7.290 6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.430 7.590 7.913 1.00 0.00 H new ATOM 374 N LYS A 25 17.471 5.126 9.500 1.00 0.00 N ATOM 375 CA LYS A 25 18.531 4.592 10.355 1.00 0.00 C ATOM 376 C LYS A 25 18.433 3.068 10.419 1.00 0.00 C ATOM 377 O LYS A 25 19.461 2.399 10.534 1.00 0.00 O ATOM 378 CB LYS A 25 18.460 5.180 11.779 1.00 0.00 C ATOM 379 CG LYS A 25 18.415 6.717 11.879 1.00 0.00 C ATOM 380 CD LYS A 25 19.461 7.480 11.046 1.00 0.00 C ATOM 381 CE LYS A 25 20.921 7.113 11.368 1.00 0.00 C ATOM 382 NZ LYS A 25 21.339 7.525 12.733 1.00 0.00 N ATOM 0 H LYS A 25 16.676 5.512 10.009 1.00 0.00 H new ATOM 0 HA LYS A 25 19.488 4.879 9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.574 4.779 12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.325 4.825 12.340 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.423 7.052 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.539 6.997 12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 25 19.276 7.289 9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.324 8.550 11.205 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.049 6.036 11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.577 7.584 10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.330 7.251 12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.246 8.556 12.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.734 7.056 13.438 1.00 0.00 H new ATOM 396 N LYS A 26 17.218 2.512 10.357 1.00 0.00 N ATOM 397 CA LYS A 26 16.977 1.092 10.622 1.00 0.00 C ATOM 398 C LYS A 26 17.070 0.234 9.361 1.00 0.00 C ATOM 399 O LYS A 26 17.341 -0.962 9.470 1.00 0.00 O ATOM 400 CB LYS A 26 15.609 0.944 11.308 1.00 0.00 C ATOM 401 CG LYS A 26 15.723 1.153 12.825 1.00 0.00 C ATOM 402 CD LYS A 26 14.359 1.003 13.511 1.00 0.00 C ATOM 403 CE LYS A 26 14.531 1.091 15.034 1.00 0.00 C ATOM 404 NZ LYS A 26 13.233 1.066 15.749 1.00 0.00 N ATOM 0 H LYS A 26 16.375 3.035 10.121 1.00 0.00 H new ATOM 0 HA LYS A 26 17.761 0.724 11.283 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.909 1.668 10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.202 -0.047 11.104 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.424 0.430 13.242 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.128 2.144 13.029 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.681 1.784 13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.909 0.048 13.241 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.148 0.260 15.376 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.064 2.008 15.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.385 0.773 16.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.809 2.015 15.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.593 0.392 15.283 1.00 0.00 H new ATOM 418 N ALA A 27 16.867 0.816 8.181 1.00 0.00 N ATOM 419 CA ALA A 27 16.848 0.142 6.890 1.00 0.00 C ATOM 420 C ALA A 27 17.510 1.029 5.827 1.00 0.00 C ATOM 421 O ALA A 27 17.839 2.188 6.072 1.00 0.00 O ATOM 422 CB ALA A 27 15.392 -0.179 6.523 1.00 0.00 C ATOM 0 H ALA A 27 16.704 1.819 8.098 1.00 0.00 H new ATOM 0 HA ALA A 27 17.412 -0.789 6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.363 -0.684 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.959 -0.827 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.819 0.746 6.466 1.00 0.00 H new ATOM 428 N ASN A 28 17.699 0.476 4.627 1.00 0.00 N ATOM 429 CA ASN A 28 18.438 1.101 3.522 1.00 0.00 C ATOM 430 C ASN A 28 17.589 2.106 2.724 1.00 0.00 C ATOM 431 O ASN A 28 18.039 2.637 1.709 1.00 0.00 O ATOM 432 CB ASN A 28 18.934 -0.021 2.595 1.00 0.00 C ATOM 433 CG ASN A 28 19.915 0.460 1.524 1.00 0.00 C ATOM 434 OD1 ASN A 28 19.652 0.361 0.330 1.00 0.00 O ATOM 435 ND2 ASN A 28 21.078 0.956 1.920 1.00 0.00 N ATOM 0 H ASN A 28 17.333 -0.445 4.388 1.00 0.00 H new ATOM 0 HA ASN A 28 19.268 1.670 3.941 1.00 0.00 H new ATOM 0 HB2 ASN A 28 19.415 -0.792 3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.076 -0.485 2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 28 21.765 1.260 1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.287 1.034 2.915 1.00 0.00 H new ATOM 442 N ILE A 29 16.339 2.319 3.138 1.00 0.00 N ATOM 443 CA ILE A 29 15.318 3.064 2.410 1.00 0.00 C ATOM 444 C ILE A 29 15.762 4.477 1.983 1.00 0.00 C ATOM 445 O ILE A 29 16.566 5.140 2.645 1.00 0.00 O ATOM 446 CB ILE A 29 14.019 3.093 3.238 1.00 0.00 C ATOM 447 CG1 ILE A 29 14.219 3.754 4.615 1.00 0.00 C ATOM 448 CG2 ILE A 29 13.443 1.685 3.467 1.00 0.00 C ATOM 449 CD1 ILE A 29 12.982 4.529 5.059 1.00 0.00 C ATOM 0 H ILE A 29 15.998 1.960 4.030 1.00 0.00 H new ATOM 0 HA ILE A 29 15.139 2.539 1.472 1.00 0.00 H new ATOM 0 HB ILE A 29 13.319 3.684 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 29 14.453 2.988 5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 29 15.074 4.428 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.528 1.757 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.221 1.222 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 29 14.172 1.077 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 29 13.165 4.979 6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.763 5.312 4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.132 3.850 5.127 1.00 0.00 H new ATOM 461 N ARG A 30 15.189 4.953 0.874 1.00 0.00 N ATOM 462 CA ARG A 30 15.484 6.240 0.256 1.00 0.00 C ATOM 463 C ARG A 30 14.488 7.271 0.761 1.00 0.00 C ATOM 464 O ARG A 30 13.532 7.641 0.073 1.00 0.00 O ATOM 465 CB ARG A 30 15.491 6.066 -1.276 1.00 0.00 C ATOM 466 CG ARG A 30 15.945 7.330 -2.023 1.00 0.00 C ATOM 467 CD ARG A 30 16.158 7.065 -3.519 1.00 0.00 C ATOM 468 NE ARG A 30 14.906 6.796 -4.245 1.00 0.00 N ATOM 469 CZ ARG A 30 14.712 6.940 -5.561 1.00 0.00 C ATOM 470 NH1 ARG A 30 15.672 7.409 -6.355 1.00 0.00 N ATOM 471 NH2 ARG A 30 13.535 6.602 -6.070 1.00 0.00 N ATOM 0 H ARG A 30 14.478 4.427 0.365 1.00 0.00 H new ATOM 0 HA ARG A 30 16.473 6.608 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.150 5.239 -1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.490 5.794 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.199 8.114 -1.896 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.872 7.698 -1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.652 7.927 -3.967 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.830 6.215 -3.639 1.00 0.00 H new ATOM 0 HE ARG A 30 14.113 6.469 -3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.578 7.667 -5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.502 7.510 -7.356 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.801 6.241 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.364 6.703 -7.070 1.00 0.00 H new ATOM 485 N VAL A 31 14.689 7.709 2.000 1.00 0.00 N ATOM 486 CA VAL A 31 13.905 8.826 2.511 1.00 0.00 C ATOM 487 C VAL A 31 14.211 10.071 1.672 1.00 0.00 C ATOM 488 O VAL A 31 15.360 10.323 1.300 1.00 0.00 O ATOM 489 CB VAL A 31 14.078 9.057 4.023 1.00 0.00 C ATOM 490 CG1 VAL A 31 13.583 7.833 4.801 1.00 0.00 C ATOM 491 CG2 VAL A 31 15.515 9.384 4.455 1.00 0.00 C ATOM 0 H VAL A 31 15.369 7.320 2.653 1.00 0.00 H new ATOM 0 HA VAL A 31 12.848 8.582 2.407 1.00 0.00 H new ATOM 0 HB VAL A 31 13.479 9.938 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.709 8.006 5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.528 7.665 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.159 6.956 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.546 9.532 5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.173 8.559 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.847 10.294 3.955 1.00 0.00 H new ATOM 501 N THR A 32 13.166 10.840 1.383 1.00 0.00 N ATOM 502 CA THR A 32 13.204 12.088 0.642 1.00 0.00 C ATOM 503 C THR A 32 12.130 12.951 1.303 1.00 0.00 C ATOM 504 O THR A 32 10.990 12.501 1.447 1.00 0.00 O ATOM 505 CB THR A 32 12.917 11.825 -0.854 1.00 0.00 C ATOM 506 OG1 THR A 32 13.721 10.778 -1.370 1.00 0.00 O ATOM 507 CG2 THR A 32 13.174 13.074 -1.703 1.00 0.00 C ATOM 0 H THR A 32 12.221 10.593 1.677 1.00 0.00 H new ATOM 0 HA THR A 32 14.175 12.582 0.668 1.00 0.00 H new ATOM 0 HB THR A 32 11.866 11.543 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.510 10.640 -2.317 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.962 12.853 -2.749 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.527 13.883 -1.365 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.216 13.376 -1.600 1.00 0.00 H new ATOM 515 N PHE A 33 12.494 14.149 1.756 1.00 0.00 N ATOM 516 CA PHE A 33 11.635 14.975 2.593 1.00 0.00 C ATOM 517 C PHE A 33 11.330 16.271 1.847 1.00 0.00 C ATOM 518 O PHE A 33 12.214 17.107 1.640 1.00 0.00 O ATOM 519 CB PHE A 33 12.305 15.226 3.953 1.00 0.00 C ATOM 520 CG PHE A 33 12.588 13.976 4.774 1.00 0.00 C ATOM 521 CD1 PHE A 33 11.523 13.184 5.243 1.00 0.00 C ATOM 522 CD2 PHE A 33 13.911 13.617 5.102 1.00 0.00 C ATOM 523 CE1 PHE A 33 11.771 12.062 6.054 1.00 0.00 C ATOM 524 CE2 PHE A 33 14.161 12.489 5.905 1.00 0.00 C ATOM 525 CZ PHE A 33 13.091 11.716 6.391 1.00 0.00 C ATOM 0 H PHE A 33 13.398 14.574 1.550 1.00 0.00 H new ATOM 0 HA PHE A 33 10.692 14.467 2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.245 15.753 3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.668 15.889 4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.508 13.440 4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.736 14.210 4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.947 11.466 6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.177 12.216 6.149 1.00 0.00 H new ATOM 0 HZ PHE A 33 13.283 10.860 7.021 1.00 0.00 H new ATOM 535 N TRP A 34 10.080 16.411 1.413 1.00 0.00 N ATOM 536 CA TRP A 34 9.548 17.642 0.848 1.00 0.00 C ATOM 537 C TRP A 34 9.357 18.686 1.953 1.00 0.00 C ATOM 538 O TRP A 34 9.359 18.356 3.143 1.00 0.00 O ATOM 539 CB TRP A 34 8.226 17.323 0.124 1.00 0.00 C ATOM 540 CG TRP A 34 8.439 16.752 -1.248 1.00 0.00 C ATOM 541 CD1 TRP A 34 8.346 17.462 -2.394 1.00 0.00 C ATOM 542 CD2 TRP A 34 8.861 15.408 -1.655 1.00 0.00 C ATOM 543 NE1 TRP A 34 8.741 16.688 -3.465 1.00 0.00 N ATOM 544 CE2 TRP A 34 9.095 15.416 -3.066 1.00 0.00 C ATOM 545 CE3 TRP A 34 9.090 14.186 -0.986 1.00 0.00 C ATOM 546 CZ2 TRP A 34 9.579 14.295 -3.758 1.00 0.00 C ATOM 547 CZ3 TRP A 34 9.565 13.053 -1.672 1.00 0.00 C ATOM 548 CH2 TRP A 34 9.817 13.105 -3.052 1.00 0.00 C ATOM 0 H TRP A 34 9.397 15.654 1.446 1.00 0.00 H new ATOM 0 HA TRP A 34 10.246 18.062 0.124 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.651 16.616 0.722 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.631 18.233 0.046 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.011 18.487 -2.461 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.768 17.015 -4.431 1.00 0.00 H new ATOM 0 HE3 TRP A 34 8.897 14.119 0.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.766 14.347 -4.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 9.737 12.134 -1.131 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.192 12.234 -3.568 1.00 0.00 H new ATOM 559 N GLY A 35 9.169 19.950 1.564 1.00 0.00 N ATOM 560 CA GLY A 35 8.750 20.988 2.498 1.00 0.00 C ATOM 561 C GLY A 35 7.307 20.701 2.921 1.00 0.00 C ATOM 562 O GLY A 35 6.991 20.695 4.111 1.00 0.00 O ATOM 0 H GLY A 35 9.302 20.275 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.405 21.002 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.820 21.970 2.031 1.00 0.00 H new ATOM 566 N ASP A 36 6.455 20.378 1.943 1.00 0.00 N ATOM 567 CA ASP A 36 5.098 19.864 2.092 1.00 0.00 C ATOM 568 C ASP A 36 4.690 19.237 0.764 1.00 0.00 C ATOM 569 O ASP A 36 4.036 18.177 0.782 1.00 0.00 O ATOM 570 CB ASP A 36 4.109 20.984 2.442 1.00 0.00 C ATOM 571 CG ASP A 36 2.655 20.495 2.310 1.00 0.00 C ATOM 572 OD1 ASP A 36 2.165 19.790 3.221 1.00 0.00 O ATOM 573 OD2 ASP A 36 1.981 20.853 1.318 1.00 0.00 O ATOM 574 OXT ASP A 36 5.075 19.790 -0.290 1.00 0.00 O ATOM 0 H ASP A 36 6.717 20.477 0.962 1.00 0.00 H new ATOM 0 HA ASP A 36 5.078 19.135 2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.290 21.329 3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.271 21.837 1.783 1.00 0.00 H new TER 579 ASP A 36