USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 317 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 ASP N :NH3+ 143:sc= 0.022 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0.81 K(o=0.81,f=-2.9!) USER MOD Single : A 14 HIS : no HD1:sc= -0.621 K(o=-0.62,f=0.0056) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc=-0.00368 (180deg=-0.147) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.6!) USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0829) USER MOD Single : A 35 MET CE :methyl -171:sc= 0 (180deg=-0.0438) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -17.234 4.148 23.038 1.00 0.00 N ATOM 2 CA ASP A 1 -16.680 2.892 22.497 1.00 0.00 C ATOM 3 C ASP A 1 -15.333 2.577 23.149 1.00 0.00 C ATOM 4 O ASP A 1 -14.531 3.481 23.371 1.00 0.00 O ATOM 5 CB ASP A 1 -16.537 2.948 20.970 1.00 0.00 C ATOM 6 CG ASP A 1 -15.271 3.676 20.535 1.00 0.00 C ATOM 7 OD1 ASP A 1 -14.307 3.016 20.150 1.00 0.00 O ATOM 8 OD2 ASP A 1 -15.273 5.023 20.695 1.00 0.00 O ATOM 0 H1 ASP A 1 -17.715 4.671 22.278 1.00 0.00 H new ATOM 0 H2 ASP A 1 -17.915 3.930 23.793 1.00 0.00 H new ATOM 0 H3 ASP A 1 -16.463 4.729 23.424 1.00 0.00 H new ATOM 0 HA ASP A 1 -17.382 2.092 22.734 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -16.526 1.934 20.571 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -17.406 3.449 20.544 1.00 0.00 H new ATOM 16 N ALA A 2 -15.050 1.301 23.412 1.00 0.00 N ATOM 17 CA ALA A 2 -13.852 0.892 24.140 1.00 0.00 C ATOM 18 C ALA A 2 -12.642 0.830 23.200 1.00 0.00 C ATOM 19 O ALA A 2 -11.992 -0.205 23.092 1.00 0.00 O ATOM 20 CB ALA A 2 -14.120 -0.448 24.834 1.00 0.00 C ATOM 0 H ALA A 2 -15.645 0.524 23.126 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.612 1.630 24.906 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.229 -0.760 25.380 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.952 -0.337 25.530 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.370 -1.201 24.087 1.00 0.00 H new ATOM 26 N GLU A 3 -12.381 1.922 22.470 1.00 0.00 N ATOM 27 CA GLU A 3 -11.337 2.037 21.456 1.00 0.00 C ATOM 28 C GLU A 3 -11.552 1.080 20.282 1.00 0.00 C ATOM 29 O GLU A 3 -10.691 0.961 19.412 1.00 0.00 O ATOM 30 CB GLU A 3 -9.936 1.876 22.068 1.00 0.00 C ATOM 31 CG GLU A 3 -9.682 2.854 23.225 1.00 0.00 C ATOM 32 CD GLU A 3 -8.271 2.703 23.778 1.00 0.00 C ATOM 33 OE1 GLU A 3 -8.115 2.235 24.901 1.00 0.00 O ATOM 34 OE2 GLU A 3 -7.260 3.042 22.932 1.00 0.00 O ATOM 0 H GLU A 3 -12.917 2.783 22.578 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.406 3.046 21.050 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.816 0.854 22.428 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.185 2.032 21.294 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.832 3.877 22.879 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.407 2.677 24.019 1.00 0.00 H new ATOM 42 N PHE A 4 -12.718 0.434 20.225 1.00 0.00 N ATOM 43 CA PHE A 4 -13.057 -0.507 19.176 1.00 0.00 C ATOM 44 C PHE A 4 -13.112 0.231 17.847 1.00 0.00 C ATOM 45 O PHE A 4 -12.554 -0.208 16.844 1.00 0.00 O ATOM 46 CB PHE A 4 -14.383 -1.199 19.521 1.00 0.00 C ATOM 47 CG PHE A 4 -14.787 -2.315 18.576 1.00 0.00 C ATOM 48 CD1 PHE A 4 -14.026 -3.497 18.527 1.00 0.00 C ATOM 49 CD2 PHE A 4 -15.967 -2.214 17.812 1.00 0.00 C ATOM 50 CE1 PHE A 4 -14.437 -4.570 17.717 1.00 0.00 C ATOM 51 CE2 PHE A 4 -16.381 -3.290 17.008 1.00 0.00 C ATOM 52 CZ PHE A 4 -15.617 -4.469 16.961 1.00 0.00 C ATOM 0 H PHE A 4 -13.457 0.557 20.918 1.00 0.00 H new ATOM 0 HA PHE A 4 -12.299 -1.285 19.091 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -14.312 -1.605 20.530 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -15.174 -0.450 19.534 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -13.123 -3.580 19.114 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -16.554 -1.308 17.844 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -13.845 -5.473 17.676 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -17.287 -3.211 16.426 1.00 0.00 H new ATOM 0 HZ PHE A 4 -15.937 -5.296 16.345 1.00 0.00 H new ATOM 62 N ARG A 5 -13.764 1.390 17.866 1.00 0.00 N ATOM 63 CA ARG A 5 -14.015 2.144 16.647 1.00 0.00 C ATOM 64 C ARG A 5 -12.736 2.795 16.124 1.00 0.00 C ATOM 65 O ARG A 5 -12.403 2.656 14.949 1.00 0.00 O ATOM 66 CB ARG A 5 -15.166 3.139 16.837 1.00 0.00 C ATOM 67 CG ARG A 5 -16.475 2.365 17.082 1.00 0.00 C ATOM 68 CD ARG A 5 -17.632 2.884 16.221 1.00 0.00 C ATOM 69 NE ARG A 5 -18.265 4.075 16.805 1.00 0.00 N ATOM 70 CZ ARG A 5 -19.257 4.043 17.708 1.00 0.00 C ATOM 71 NH1 ARG A 5 -19.640 2.884 18.257 1.00 0.00 N ATOM 72 NH2 ARG A 5 -19.873 5.178 18.053 1.00 0.00 N ATOM 0 H ARG A 5 -14.127 1.826 18.714 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.339 1.448 15.873 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.957 3.798 17.680 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -15.264 3.772 15.955 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -16.314 1.308 16.870 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -16.747 2.441 18.135 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -17.262 3.123 15.224 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -18.378 2.098 16.105 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.927 4.989 16.503 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -19.177 2.015 17.990 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -20.395 2.869 18.943 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -19.588 6.062 17.630 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -20.628 5.160 18.739 1.00 0.00 H new ATOM 86 N HIS A 6 -11.996 3.486 16.995 1.00 0.00 N ATOM 87 CA HIS A 6 -10.769 4.150 16.569 1.00 0.00 C ATOM 88 C HIS A 6 -9.644 3.174 16.213 1.00 0.00 C ATOM 89 O HIS A 6 -8.668 3.579 15.588 1.00 0.00 O ATOM 90 CB HIS A 6 -10.341 5.227 17.577 1.00 0.00 C ATOM 91 CG HIS A 6 -11.030 6.547 17.330 1.00 0.00 C ATOM 92 ND1 HIS A 6 -10.530 7.575 16.549 1.00 0.00 N ATOM 93 CD2 HIS A 6 -12.285 6.902 17.742 1.00 0.00 C ATOM 94 CE1 HIS A 6 -11.462 8.542 16.498 1.00 0.00 C ATOM 95 NE2 HIS A 6 -12.534 8.155 17.216 1.00 0.00 N ATOM 0 H HIS A 6 -12.223 3.598 17.983 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.994 4.662 15.633 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.565 4.886 18.588 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.261 5.367 17.520 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.951 6.317 18.358 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.367 9.478 15.967 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -13.388 8.697 17.349 1.00 0.00 H new ATOM 104 N ASP A 7 -9.779 1.895 16.567 1.00 0.00 N ATOM 105 CA ASP A 7 -8.768 0.896 16.250 1.00 0.00 C ATOM 106 C ASP A 7 -8.606 0.736 14.739 1.00 0.00 C ATOM 107 O ASP A 7 -7.513 0.936 14.217 1.00 0.00 O ATOM 108 CB ASP A 7 -9.095 -0.456 16.893 1.00 0.00 C ATOM 109 CG ASP A 7 -8.031 -1.483 16.532 1.00 0.00 C ATOM 110 OD1 ASP A 7 -8.183 -2.166 15.524 1.00 0.00 O ATOM 111 OD2 ASP A 7 -6.868 -1.397 17.232 1.00 0.00 O ATOM 0 H ASP A 7 -10.584 1.529 17.076 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.824 1.250 16.664 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.153 -0.347 17.976 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.072 -0.800 16.555 1.00 0.00 H new ATOM 117 N SER A 8 -9.677 0.356 14.038 1.00 0.00 N ATOM 118 CA SER A 8 -9.602 0.052 12.617 1.00 0.00 C ATOM 119 C SER A 8 -8.989 1.209 11.828 1.00 0.00 C ATOM 120 O SER A 8 -8.050 1.002 11.064 1.00 0.00 O ATOM 121 CB SER A 8 -10.978 -0.340 12.096 1.00 0.00 C ATOM 122 OG SER A 8 -11.491 -1.391 12.890 1.00 0.00 O ATOM 0 H SER A 8 -10.609 0.253 14.439 1.00 0.00 H new ATOM 0 HA SER A 8 -8.936 -0.799 12.475 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.650 0.517 12.127 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.910 -0.654 11.054 1.00 0.00 H new ATOM 0 HG SER A 8 -12.378 -1.647 12.561 1.00 0.00 H new ATOM 128 N GLY A 9 -9.475 2.434 12.043 1.00 0.00 N ATOM 129 CA GLY A 9 -8.901 3.620 11.415 1.00 0.00 C ATOM 130 C GLY A 9 -7.386 3.698 11.635 1.00 0.00 C ATOM 131 O GLY A 9 -6.637 4.049 10.721 1.00 0.00 O ATOM 0 H GLY A 9 -10.270 2.628 12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.114 3.605 10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.375 4.513 11.822 1.00 0.00 H new ATOM 135 N TYR A 10 -6.945 3.339 12.845 1.00 0.00 N ATOM 136 CA TYR A 10 -5.557 3.378 13.269 1.00 0.00 C ATOM 137 C TYR A 10 -4.763 2.141 12.816 1.00 0.00 C ATOM 138 O TYR A 10 -3.602 1.995 13.191 1.00 0.00 O ATOM 139 CB TYR A 10 -5.541 3.536 14.795 1.00 0.00 C ATOM 140 CG TYR A 10 -4.233 4.041 15.356 1.00 0.00 C ATOM 141 CD1 TYR A 10 -3.890 5.395 15.204 1.00 0.00 C ATOM 142 CD2 TYR A 10 -3.314 3.144 15.931 1.00 0.00 C ATOM 143 CE1 TYR A 10 -2.644 5.856 15.650 1.00 0.00 C ATOM 144 CE2 TYR A 10 -2.061 3.604 16.364 1.00 0.00 C ATOM 145 CZ TYR A 10 -1.749 4.972 16.278 1.00 0.00 C ATOM 146 OH TYR A 10 -0.528 5.426 16.676 1.00 0.00 O ATOM 0 H TYR A 10 -7.573 3.003 13.575 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.058 4.224 12.795 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.336 4.223 15.085 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.770 2.572 15.250 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.586 6.080 14.744 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.573 2.101 16.039 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.371 6.892 15.511 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.338 2.908 16.763 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.027 4.695 17.094 1.00 0.00 H new ATOM 156 N GLU A 11 -5.360 1.246 12.024 1.00 0.00 N ATOM 157 CA GLU A 11 -4.731 0.043 11.520 1.00 0.00 C ATOM 158 C GLU A 11 -4.786 -0.022 9.994 1.00 0.00 C ATOM 159 O GLU A 11 -3.763 -0.268 9.367 1.00 0.00 O ATOM 160 CB GLU A 11 -5.373 -1.187 12.160 1.00 0.00 C ATOM 161 CG GLU A 11 -4.809 -1.433 13.568 1.00 0.00 C ATOM 162 CD GLU A 11 -5.298 -2.738 14.190 1.00 0.00 C ATOM 163 OE1 GLU A 11 -4.883 -3.044 15.301 1.00 0.00 O ATOM 164 OE2 GLU A 11 -5.801 -3.651 13.317 1.00 0.00 O ATOM 0 H GLU A 11 -6.325 1.351 11.712 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.676 0.063 11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.453 -1.050 12.216 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.194 -2.062 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.720 -1.446 13.519 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.089 -0.602 14.215 1.00 0.00 H new ATOM 172 N VAL A 12 -5.962 0.198 9.400 1.00 0.00 N ATOM 173 CA VAL A 12 -6.200 0.150 7.960 1.00 0.00 C ATOM 174 C VAL A 12 -5.063 0.789 7.186 1.00 0.00 C ATOM 175 O VAL A 12 -4.406 0.135 6.388 1.00 0.00 O ATOM 176 CB VAL A 12 -7.552 0.822 7.642 1.00 0.00 C ATOM 177 CG1 VAL A 12 -7.705 1.207 6.162 1.00 0.00 C ATOM 178 CG2 VAL A 12 -8.698 -0.119 8.024 1.00 0.00 C ATOM 0 H VAL A 12 -6.804 0.422 9.931 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.243 -0.892 7.644 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.585 1.742 8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.677 1.675 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.917 1.907 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.629 0.313 5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.651 0.358 7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.613 -1.045 7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.647 -0.341 9.090 1.00 0.00 H new ATOM 188 N HIS A 13 -4.840 2.071 7.431 1.00 0.00 N ATOM 189 CA HIS A 13 -3.876 2.862 6.705 1.00 0.00 C ATOM 190 C HIS A 13 -2.481 2.418 7.105 1.00 0.00 C ATOM 191 O HIS A 13 -1.616 2.252 6.258 1.00 0.00 O ATOM 192 CB HIS A 13 -4.071 4.344 7.012 1.00 0.00 C ATOM 193 CG HIS A 13 -5.507 4.802 6.937 1.00 0.00 C ATOM 194 ND1 HIS A 13 -6.408 4.834 7.990 1.00 0.00 N ATOM 195 CD2 HIS A 13 -6.156 5.214 5.807 1.00 0.00 C ATOM 196 CE1 HIS A 13 -7.584 5.262 7.500 1.00 0.00 C ATOM 197 NE2 HIS A 13 -7.454 5.499 6.180 1.00 0.00 N ATOM 0 H HIS A 13 -5.336 2.594 8.153 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.013 2.718 5.633 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -3.686 4.552 8.010 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.476 4.931 6.312 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -6.214 4.580 8.959 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.735 5.300 4.816 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.490 5.395 8.073 1.00 0.00 H new ATOM 206 N HIS A 14 -2.266 2.213 8.404 1.00 0.00 N ATOM 207 CA HIS A 14 -0.983 1.807 8.942 1.00 0.00 C ATOM 208 C HIS A 14 -0.502 0.546 8.218 1.00 0.00 C ATOM 209 O HIS A 14 0.680 0.419 7.909 1.00 0.00 O ATOM 210 CB HIS A 14 -1.090 1.601 10.458 1.00 0.00 C ATOM 211 CG HIS A 14 -1.354 2.854 11.266 1.00 0.00 C ATOM 212 ND1 HIS A 14 -0.763 3.141 12.481 1.00 0.00 N ATOM 213 CD2 HIS A 14 -2.197 3.894 10.960 1.00 0.00 C ATOM 214 CE1 HIS A 14 -1.214 4.339 12.887 1.00 0.00 C ATOM 215 NE2 HIS A 14 -2.096 4.808 11.987 1.00 0.00 N ATOM 0 H HIS A 14 -2.990 2.327 9.114 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.243 2.589 8.775 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -1.889 0.887 10.655 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.164 1.149 10.813 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.820 3.980 10.082 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.916 4.846 13.793 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.604 5.690 12.053 1.00 0.00 H new ATOM 224 N GLN A 15 -1.425 -0.367 7.904 1.00 0.00 N ATOM 225 CA GLN A 15 -1.119 -1.581 7.185 1.00 0.00 C ATOM 226 C GLN A 15 -1.138 -1.398 5.681 1.00 0.00 C ATOM 227 O GLN A 15 -0.225 -1.886 5.030 1.00 0.00 O ATOM 228 CB GLN A 15 -2.022 -2.734 7.636 1.00 0.00 C ATOM 229 CG GLN A 15 -1.472 -4.081 7.143 1.00 0.00 C ATOM 230 CD GLN A 15 -2.499 -5.195 7.285 1.00 0.00 C ATOM 231 OE1 GLN A 15 -2.378 -6.061 8.142 1.00 0.00 O ATOM 232 NE2 GLN A 15 -3.519 -5.184 6.432 1.00 0.00 N ATOM 0 H GLN A 15 -2.411 -0.272 8.149 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.092 -1.845 7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.094 -2.741 8.724 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.031 -2.585 7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.174 -3.992 6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.577 -4.337 7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.589 -4.447 5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.231 -5.912 6.480 1.00 0.00 H new ATOM 241 N LYS A 16 -2.119 -0.711 5.098 1.00 0.00 N ATOM 242 CA LYS A 16 -2.090 -0.392 3.685 1.00 0.00 C ATOM 243 C LYS A 16 -0.778 0.305 3.347 1.00 0.00 C ATOM 244 O LYS A 16 -0.242 0.085 2.266 1.00 0.00 O ATOM 245 CB LYS A 16 -3.340 0.422 3.282 1.00 0.00 C ATOM 246 CG LYS A 16 -3.112 1.525 2.235 1.00 0.00 C ATOM 247 CD LYS A 16 -2.610 2.831 2.885 1.00 0.00 C ATOM 248 CE LYS A 16 -3.722 3.887 2.967 1.00 0.00 C ATOM 249 NZ LYS A 16 -4.116 4.388 1.638 1.00 0.00 N ATOM 0 H LYS A 16 -2.943 -0.367 5.590 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.128 -1.308 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.091 -0.268 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.757 0.880 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.386 1.183 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.042 1.718 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.235 2.619 3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.774 3.227 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.592 3.458 3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.383 4.721 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.612 5.296 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.267 4.523 1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.747 3.699 1.180 1.00 0.00 H new ATOM 263 N LEU A 17 -0.246 1.128 4.253 1.00 0.00 N ATOM 264 CA LEU A 17 0.853 2.001 3.883 1.00 0.00 C ATOM 265 C LEU A 17 2.123 1.156 3.839 1.00 0.00 C ATOM 266 O LEU A 17 2.858 1.155 2.850 1.00 0.00 O ATOM 267 CB LEU A 17 0.848 3.311 4.705 1.00 0.00 C ATOM 268 CG LEU A 17 1.443 3.288 6.120 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.972 3.419 6.117 1.00 0.00 C ATOM 270 CD2 LEU A 17 0.873 4.473 6.911 1.00 0.00 C ATOM 0 H LEU A 17 -0.553 1.204 5.223 1.00 0.00 H new ATOM 0 HA LEU A 17 0.758 2.410 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.386 4.065 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.185 3.649 4.785 1.00 0.00 H new ATOM 0 HG LEU A 17 1.182 2.329 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.341 3.397 7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.407 2.591 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.255 4.362 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.287 4.470 7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.139 5.405 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.212 4.387 6.964 1.00 0.00 H new ATOM 282 N VAL A 18 2.303 0.340 4.879 1.00 0.00 N ATOM 283 CA VAL A 18 3.375 -0.636 4.950 1.00 0.00 C ATOM 284 C VAL A 18 3.268 -1.648 3.804 1.00 0.00 C ATOM 285 O VAL A 18 4.249 -1.935 3.123 1.00 0.00 O ATOM 286 CB VAL A 18 3.380 -1.299 6.336 1.00 0.00 C ATOM 287 CG1 VAL A 18 4.306 -2.521 6.403 1.00 0.00 C ATOM 288 CG2 VAL A 18 3.819 -0.290 7.405 1.00 0.00 C ATOM 0 H VAL A 18 1.699 0.344 5.701 1.00 0.00 H new ATOM 0 HA VAL A 18 4.335 -0.136 4.824 1.00 0.00 H new ATOM 0 HB VAL A 18 2.360 -1.636 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.271 -2.950 7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.979 -3.266 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.327 -2.216 6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.818 -0.772 8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.823 0.067 7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.128 0.553 7.416 1.00 0.00 H new ATOM 298 N PHE A 19 2.071 -2.197 3.596 1.00 0.00 N ATOM 299 CA PHE A 19 1.780 -3.190 2.576 1.00 0.00 C ATOM 300 C PHE A 19 2.121 -2.638 1.200 1.00 0.00 C ATOM 301 O PHE A 19 2.831 -3.290 0.444 1.00 0.00 O ATOM 302 CB PHE A 19 0.307 -3.606 2.645 1.00 0.00 C ATOM 303 CG PHE A 19 -0.176 -4.400 1.449 1.00 0.00 C ATOM 304 CD1 PHE A 19 0.302 -5.704 1.227 1.00 0.00 C ATOM 305 CD2 PHE A 19 -1.018 -3.792 0.496 1.00 0.00 C ATOM 306 CE1 PHE A 19 -0.089 -6.410 0.076 1.00 0.00 C ATOM 307 CE2 PHE A 19 -1.413 -4.500 -0.650 1.00 0.00 C ATOM 308 CZ PHE A 19 -0.957 -5.814 -0.855 1.00 0.00 C ATOM 0 H PHE A 19 1.254 -1.951 4.155 1.00 0.00 H new ATOM 0 HA PHE A 19 2.392 -4.074 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.151 -4.199 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.307 -2.710 2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.970 -6.163 1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.360 -2.779 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.278 -7.412 -0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.067 -4.036 -1.374 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.274 -6.365 -1.728 1.00 0.00 H new ATOM 318 N PHE A 20 1.629 -1.443 0.865 1.00 0.00 N ATOM 319 CA PHE A 20 1.919 -0.841 -0.424 1.00 0.00 C ATOM 320 C PHE A 20 3.421 -0.633 -0.557 1.00 0.00 C ATOM 321 O PHE A 20 4.009 -1.018 -1.564 1.00 0.00 O ATOM 322 CB PHE A 20 1.158 0.475 -0.625 1.00 0.00 C ATOM 323 CG PHE A 20 0.718 0.705 -2.057 1.00 0.00 C ATOM 324 CD1 PHE A 20 -0.338 -0.060 -2.588 1.00 0.00 C ATOM 325 CD2 PHE A 20 1.324 1.701 -2.846 1.00 0.00 C ATOM 326 CE1 PHE A 20 -0.797 0.178 -3.895 1.00 0.00 C ATOM 327 CE2 PHE A 20 0.857 1.946 -4.149 1.00 0.00 C ATOM 328 CZ PHE A 20 -0.205 1.188 -4.673 1.00 0.00 C ATOM 0 H PHE A 20 1.031 -0.881 1.470 1.00 0.00 H new ATOM 0 HA PHE A 20 1.579 -1.519 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.281 0.481 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.792 1.304 -0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.797 -0.832 -1.989 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.148 2.277 -2.450 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.604 -0.414 -4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.315 2.718 -4.749 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.566 1.382 -5.672 1.00 0.00 H new ATOM 338 N ALA A 21 4.050 -0.055 0.473 1.00 0.00 N ATOM 339 CA ALA A 21 5.488 0.151 0.474 1.00 0.00 C ATOM 340 C ALA A 21 6.234 -1.155 0.192 1.00 0.00 C ATOM 341 O ALA A 21 7.137 -1.177 -0.638 1.00 0.00 O ATOM 342 CB ALA A 21 5.936 0.798 1.787 1.00 0.00 C ATOM 0 H ALA A 21 3.577 0.276 1.314 1.00 0.00 H new ATOM 0 HA ALA A 21 5.740 0.838 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.016 0.945 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.440 1.762 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.671 0.149 2.622 1.00 0.00 H new ATOM 348 N GLU A 22 5.847 -2.253 0.843 1.00 0.00 N ATOM 349 CA GLU A 22 6.421 -3.564 0.612 1.00 0.00 C ATOM 350 C GLU A 22 6.130 -4.087 -0.787 1.00 0.00 C ATOM 351 O GLU A 22 7.014 -4.623 -1.448 1.00 0.00 O ATOM 352 CB GLU A 22 5.885 -4.525 1.680 1.00 0.00 C ATOM 353 CG GLU A 22 6.723 -4.456 2.962 1.00 0.00 C ATOM 354 CD GLU A 22 7.974 -5.317 2.841 1.00 0.00 C ATOM 355 OE1 GLU A 22 9.023 -4.795 2.481 1.00 0.00 O ATOM 356 OE2 GLU A 22 7.764 -6.660 2.904 1.00 0.00 O ATOM 0 H GLU A 22 5.115 -2.248 1.554 1.00 0.00 H new ATOM 0 HA GLU A 22 7.506 -3.487 0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.848 -4.278 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.892 -5.544 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.006 -3.422 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.126 -4.792 3.810 1.00 0.00 H new ATOM 364 N ASP A 23 4.891 -3.947 -1.236 1.00 0.00 N ATOM 365 CA ASP A 23 4.480 -4.383 -2.557 1.00 0.00 C ATOM 366 C ASP A 23 5.292 -3.652 -3.614 1.00 0.00 C ATOM 367 O ASP A 23 5.621 -4.239 -4.632 1.00 0.00 O ATOM 368 CB ASP A 23 2.976 -4.169 -2.792 1.00 0.00 C ATOM 369 CG ASP A 23 2.120 -5.374 -2.414 1.00 0.00 C ATOM 370 OD1 ASP A 23 2.593 -6.257 -1.705 1.00 0.00 O ATOM 371 OD2 ASP A 23 1.000 -5.539 -3.173 1.00 0.00 O ATOM 0 H ASP A 23 4.141 -3.525 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 23 4.667 -5.454 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.646 -3.305 -2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.811 -3.933 -3.843 1.00 0.00 H new ATOM 377 N VAL A 24 5.603 -2.375 -3.401 1.00 0.00 N ATOM 378 CA VAL A 24 6.392 -1.629 -4.360 1.00 0.00 C ATOM 379 C VAL A 24 7.874 -1.967 -4.218 1.00 0.00 C ATOM 380 O VAL A 24 8.541 -2.349 -5.179 1.00 0.00 O ATOM 381 CB VAL A 24 6.065 -0.128 -4.270 1.00 0.00 C ATOM 382 CG1 VAL A 24 6.967 0.695 -5.200 1.00 0.00 C ATOM 383 CG2 VAL A 24 4.607 0.112 -4.690 1.00 0.00 C ATOM 0 H VAL A 24 5.320 -1.845 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 24 6.126 -1.927 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 24 6.229 0.183 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.712 1.751 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.010 0.550 -4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.821 0.369 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.380 1.176 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.463 -0.227 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.942 -0.442 -4.028 1.00 0.00 H new ATOM 393 N GLY A 25 8.385 -1.827 -3.002 1.00 0.00 N ATOM 394 CA GLY A 25 9.801 -1.938 -2.701 1.00 0.00 C ATOM 395 C GLY A 25 10.301 -3.358 -2.928 1.00 0.00 C ATOM 396 O GLY A 25 11.401 -3.561 -3.438 1.00 0.00 O ATOM 0 H GLY A 25 7.812 -1.629 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.364 -1.247 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.980 -1.648 -1.666 1.00 0.00 H new ATOM 400 N SER A 26 9.486 -4.341 -2.536 1.00 0.00 N ATOM 401 CA SER A 26 9.826 -5.751 -2.506 1.00 0.00 C ATOM 402 C SER A 26 9.038 -6.535 -3.555 1.00 0.00 C ATOM 403 O SER A 26 8.766 -7.721 -3.379 1.00 0.00 O ATOM 404 CB SER A 26 9.638 -6.289 -1.075 1.00 0.00 C ATOM 405 OG SER A 26 10.789 -6.999 -0.657 1.00 0.00 O ATOM 0 H SER A 26 8.533 -4.160 -2.219 1.00 0.00 H new ATOM 0 HA SER A 26 10.875 -5.883 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.446 -5.462 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.767 -6.943 -1.038 1.00 0.00 H new ATOM 0 HG SER A 26 10.654 -7.333 0.255 1.00 0.00 H new ATOM 411 N ASN A 27 8.709 -5.892 -4.678 1.00 0.00 N ATOM 412 CA ASN A 27 8.190 -6.583 -5.852 1.00 0.00 C ATOM 413 C ASN A 27 8.630 -5.853 -7.116 1.00 0.00 C ATOM 414 O ASN A 27 7.886 -5.705 -8.086 1.00 0.00 O ATOM 415 CB ASN A 27 6.667 -6.725 -5.769 1.00 0.00 C ATOM 416 CG ASN A 27 6.122 -7.882 -6.588 1.00 0.00 C ATOM 417 OD1 ASN A 27 6.860 -8.653 -7.193 1.00 0.00 O ATOM 418 ND2 ASN A 27 4.798 -8.000 -6.612 1.00 0.00 N ATOM 0 H ASN A 27 8.796 -4.882 -4.795 1.00 0.00 H new ATOM 0 HA ASN A 27 8.600 -7.592 -5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.379 -6.860 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.204 -5.799 -6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.363 -8.752 -7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.218 -7.339 -6.096 1.00 0.00 H new ATOM 425 N LYS A 28 9.877 -5.384 -7.102 1.00 0.00 N ATOM 426 CA LYS A 28 10.431 -4.566 -8.160 1.00 0.00 C ATOM 427 C LYS A 28 10.351 -5.317 -9.476 1.00 0.00 C ATOM 428 O LYS A 28 9.892 -4.769 -10.464 1.00 0.00 O ATOM 429 CB LYS A 28 11.855 -4.101 -7.824 1.00 0.00 C ATOM 430 CG LYS A 28 11.901 -2.570 -7.765 1.00 0.00 C ATOM 431 CD LYS A 28 13.317 -2.088 -7.428 1.00 0.00 C ATOM 432 CE LYS A 28 13.415 -0.559 -7.482 1.00 0.00 C ATOM 433 NZ LYS A 28 13.310 -0.049 -8.860 1.00 0.00 N ATOM 0 H LYS A 28 10.532 -5.568 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 28 9.839 -3.656 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.168 -4.520 -6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.554 -4.466 -8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.587 -2.154 -8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.199 -2.208 -7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.595 -2.437 -6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.028 -2.525 -8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.623 -0.123 -6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.363 -0.241 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.549 0.963 -8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.969 -0.569 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.338 -0.181 -9.206 1.00 0.00 H new ATOM 447 N GLY A 29 10.716 -6.598 -9.449 1.00 0.00 N ATOM 448 CA GLY A 29 10.584 -7.519 -10.573 1.00 0.00 C ATOM 449 C GLY A 29 9.222 -7.419 -11.267 1.00 0.00 C ATOM 450 O GLY A 29 9.129 -7.596 -12.479 1.00 0.00 O ATOM 0 H GLY A 29 11.123 -7.034 -8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.372 -7.315 -11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.732 -8.539 -10.220 1.00 0.00 H new ATOM 454 N ALA A 30 8.168 -7.123 -10.500 1.00 0.00 N ATOM 455 CA ALA A 30 6.824 -6.965 -11.021 1.00 0.00 C ATOM 456 C ALA A 30 6.640 -5.535 -11.522 1.00 0.00 C ATOM 457 O ALA A 30 6.327 -5.323 -12.694 1.00 0.00 O ATOM 458 CB ALA A 30 5.789 -7.336 -9.954 1.00 0.00 C ATOM 0 H ALA A 30 8.234 -6.987 -9.491 1.00 0.00 H new ATOM 0 HA ALA A 30 6.673 -7.642 -11.862 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.786 -7.212 -10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.933 -8.374 -9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.911 -6.687 -9.087 1.00 0.00 H new ATOM 464 N ILE A 31 6.847 -4.552 -10.637 1.00 0.00 N ATOM 465 CA ILE A 31 6.628 -3.143 -10.959 1.00 0.00 C ATOM 466 C ILE A 31 7.372 -2.745 -12.235 1.00 0.00 C ATOM 467 O ILE A 31 6.819 -2.095 -13.116 1.00 0.00 O ATOM 468 CB ILE A 31 6.912 -2.236 -9.741 1.00 0.00 C ATOM 469 CG1 ILE A 31 5.700 -2.184 -8.791 1.00 0.00 C ATOM 470 CG2 ILE A 31 7.213 -0.788 -10.161 1.00 0.00 C ATOM 471 CD1 ILE A 31 5.445 -3.476 -8.012 1.00 0.00 C ATOM 0 H ILE A 31 7.169 -4.713 -9.683 1.00 0.00 H new ATOM 0 HA ILE A 31 5.572 -2.993 -11.184 1.00 0.00 H new ATOM 0 HB ILE A 31 7.779 -2.671 -9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.846 -1.370 -8.081 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.810 -1.944 -9.372 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.407 -0.185 -9.274 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.089 -0.772 -10.809 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.357 -0.379 -10.698 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.574 -3.348 -7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.263 -4.292 -8.711 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.316 -3.710 -7.400 1.00 0.00 H new ATOM 483 N ILE A 32 8.611 -3.205 -12.337 1.00 0.00 N ATOM 484 CA ILE A 32 9.487 -3.097 -13.497 1.00 0.00 C ATOM 485 C ILE A 32 8.719 -3.396 -14.787 1.00 0.00 C ATOM 486 O ILE A 32 8.714 -2.583 -15.711 1.00 0.00 O ATOM 487 CB ILE A 32 10.722 -3.996 -13.303 1.00 0.00 C ATOM 488 CG1 ILE A 32 11.717 -3.285 -12.361 1.00 0.00 C ATOM 489 CG2 ILE A 32 11.424 -4.337 -14.628 1.00 0.00 C ATOM 490 CD1 ILE A 32 12.847 -4.197 -11.868 1.00 0.00 C ATOM 0 H ILE A 32 9.060 -3.695 -11.563 1.00 0.00 H new ATOM 0 HA ILE A 32 9.848 -2.073 -13.592 1.00 0.00 H new ATOM 0 HB ILE A 32 10.380 -4.937 -12.871 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.150 -2.430 -12.881 1.00 0.00 H new ATOM 0 HG13 ILE A 32 11.175 -2.893 -11.500 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.287 -4.973 -14.429 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.729 -4.863 -15.283 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.754 -3.418 -15.112 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.509 -3.633 -11.211 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.423 -5.039 -11.320 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.414 -4.568 -12.722 1.00 0.00 H new ATOM 502 N GLY A 33 8.046 -4.548 -14.853 1.00 0.00 N ATOM 503 CA GLY A 33 7.305 -4.943 -16.041 1.00 0.00 C ATOM 504 C GLY A 33 6.315 -3.854 -16.444 1.00 0.00 C ATOM 505 O GLY A 33 6.236 -3.461 -17.606 1.00 0.00 O ATOM 0 H GLY A 33 8.003 -5.223 -14.090 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.997 -5.134 -16.861 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.772 -5.874 -15.850 1.00 0.00 H new ATOM 509 N LEU A 34 5.578 -3.333 -15.463 1.00 0.00 N ATOM 510 CA LEU A 34 4.586 -2.306 -15.635 1.00 0.00 C ATOM 511 C LEU A 34 5.206 -0.940 -15.875 1.00 0.00 C ATOM 512 O LEU A 34 4.573 -0.074 -16.465 1.00 0.00 O ATOM 513 CB LEU A 34 3.690 -2.294 -14.398 1.00 0.00 C ATOM 514 CG LEU A 34 2.340 -2.970 -14.651 1.00 0.00 C ATOM 515 CD1 LEU A 34 1.568 -3.043 -13.330 1.00 0.00 C ATOM 516 CD2 LEU A 34 1.489 -2.204 -15.678 1.00 0.00 C ATOM 0 H LEU A 34 5.670 -3.636 -14.493 1.00 0.00 H new ATOM 0 HA LEU A 34 3.997 -2.528 -16.524 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.199 -2.801 -13.578 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.524 -1.264 -14.082 1.00 0.00 H new ATOM 0 HG LEU A 34 2.536 -3.964 -15.052 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.604 -3.523 -13.498 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.140 -3.622 -12.606 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.410 -2.036 -12.945 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.541 -2.722 -15.824 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.298 -1.195 -15.312 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.023 -2.151 -16.626 1.00 0.00 H new ATOM 528 N MET A 35 6.441 -0.739 -15.443 1.00 0.00 N ATOM 529 CA MET A 35 7.182 0.459 -15.768 1.00 0.00 C ATOM 530 C MET A 35 7.362 0.482 -17.283 1.00 0.00 C ATOM 531 O MET A 35 6.984 1.448 -17.945 1.00 0.00 O ATOM 532 CB MET A 35 8.512 0.477 -14.996 1.00 0.00 C ATOM 533 CG MET A 35 9.093 1.890 -14.856 1.00 0.00 C ATOM 534 SD MET A 35 9.476 2.414 -13.141 1.00 0.00 S ATOM 535 CE MET A 35 7.793 2.438 -12.448 1.00 0.00 C ATOM 0 H MET A 35 6.952 -1.402 -14.860 1.00 0.00 H new ATOM 0 HA MET A 35 6.652 1.363 -15.468 1.00 0.00 H new ATOM 0 HB2 MET A 35 8.358 0.051 -14.004 1.00 0.00 H new ATOM 0 HB3 MET A 35 9.234 -0.160 -15.508 1.00 0.00 H new ATOM 0 HG2 MET A 35 10.006 1.950 -15.449 1.00 0.00 H new ATOM 0 HG3 MET A 35 8.386 2.600 -15.286 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.814 2.889 -11.456 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.140 3.021 -13.097 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.415 1.418 -12.375 1.00 0.00 H new ATOM 545 N VAL A 36 7.867 -0.620 -17.846 1.00 0.00 N ATOM 546 CA VAL A 36 8.050 -0.688 -19.292 1.00 0.00 C ATOM 547 C VAL A 36 6.688 -0.658 -19.996 1.00 0.00 C ATOM 548 O VAL A 36 6.482 0.080 -20.955 1.00 0.00 O ATOM 549 CB VAL A 36 8.891 -1.896 -19.726 1.00 0.00 C ATOM 550 CG1 VAL A 36 9.343 -1.724 -21.184 1.00 0.00 C ATOM 551 CG2 VAL A 36 10.141 -2.101 -18.861 1.00 0.00 C ATOM 0 H VAL A 36 8.149 -1.456 -17.334 1.00 0.00 H new ATOM 0 HA VAL A 36 8.618 0.191 -19.596 1.00 0.00 H new ATOM 0 HB VAL A 36 8.250 -2.770 -19.609 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.939 -2.586 -21.484 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.468 -1.646 -21.829 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.943 -0.818 -21.275 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.693 -2.970 -19.219 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.776 -1.217 -18.924 1.00 0.00 H new ATOM 0 HG23 VAL A 36 9.844 -2.261 -17.825 1.00 0.00 H new ATOM 561 N GLY A 37 5.752 -1.473 -19.511 1.00 0.00 N ATOM 562 CA GLY A 37 4.477 -1.725 -20.161 1.00 0.00 C ATOM 563 C GLY A 37 3.552 -0.517 -20.064 1.00 0.00 C ATOM 564 O GLY A 37 2.752 -0.271 -20.960 1.00 0.00 O ATOM 0 H GLY A 37 5.866 -1.985 -18.636 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.645 -1.973 -21.209 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.998 -2.589 -19.701 1.00 0.00 H new ATOM 568 N GLY A 38 3.652 0.227 -18.964 1.00 0.00 N ATOM 569 CA GLY A 38 2.855 1.409 -18.705 1.00 0.00 C ATOM 570 C GLY A 38 3.453 2.623 -19.405 1.00 0.00 C ATOM 571 O GLY A 38 2.707 3.467 -19.897 1.00 0.00 O ATOM 0 H GLY A 38 4.309 0.013 -18.213 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.834 1.249 -19.052 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.802 1.591 -17.632 1.00 0.00 H new ATOM 575 N VAL A 39 4.788 2.716 -19.460 1.00 0.00 N ATOM 576 CA VAL A 39 5.478 3.876 -20.029 1.00 0.00 C ATOM 577 C VAL A 39 6.103 3.486 -21.375 1.00 0.00 C ATOM 578 O VAL A 39 7.159 3.972 -21.769 1.00 0.00 O ATOM 579 CB VAL A 39 6.460 4.484 -19.004 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.908 5.898 -19.412 1.00 0.00 C ATOM 581 CG2 VAL A 39 5.794 4.607 -17.622 1.00 0.00 C ATOM 0 H VAL A 39 5.416 1.991 -19.112 1.00 0.00 H new ATOM 0 HA VAL A 39 4.773 4.679 -20.245 1.00 0.00 H new ATOM 0 HB VAL A 39 7.320 3.815 -18.970 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.598 6.291 -18.665 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.407 5.856 -20.380 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.037 6.550 -19.480 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.502 5.037 -16.914 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.918 5.251 -17.696 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.490 3.619 -17.276 1.00 0.00 H new ATOM 591 N VAL A 40 5.420 2.595 -22.099 1.00 0.00 N ATOM 592 CA VAL A 40 5.766 2.197 -23.448 1.00 0.00 C ATOM 593 C VAL A 40 5.845 3.411 -24.386 1.00 0.00 C ATOM 594 O VAL A 40 6.762 3.498 -25.199 1.00 0.00 O ATOM 595 CB VAL A 40 4.826 1.078 -23.944 1.00 0.00 C ATOM 596 CG1 VAL A 40 3.335 1.358 -23.714 1.00 0.00 C ATOM 597 CG2 VAL A 40 5.055 0.775 -25.431 1.00 0.00 C ATOM 0 H VAL A 40 4.589 2.123 -21.744 1.00 0.00 H new ATOM 0 HA VAL A 40 6.769 1.769 -23.447 1.00 0.00 H new ATOM 0 HB VAL A 40 5.087 0.211 -23.337 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.745 0.522 -24.091 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.148 1.481 -22.647 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.051 2.269 -24.240 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.378 -0.017 -25.749 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.865 1.673 -26.019 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.086 0.454 -25.582 1.00 0.00 H new ATOM 607 N ILE A 41 4.890 4.344 -24.281 1.00 0.00 N ATOM 608 CA ILE A 41 4.923 5.624 -24.976 1.00 0.00 C ATOM 609 C ILE A 41 5.335 6.687 -23.948 1.00 0.00 C ATOM 610 O ILE A 41 5.297 6.444 -22.743 1.00 0.00 O ATOM 611 CB ILE A 41 3.553 5.943 -25.611 1.00 0.00 C ATOM 612 CG1 ILE A 41 2.847 4.680 -26.147 1.00 0.00 C ATOM 613 CG2 ILE A 41 3.655 6.992 -26.734 1.00 0.00 C ATOM 614 CD1 ILE A 41 1.489 4.930 -26.808 1.00 0.00 C ATOM 0 H ILE A 41 4.061 4.222 -23.699 1.00 0.00 H new ATOM 0 HA ILE A 41 5.640 5.601 -25.797 1.00 0.00 H new ATOM 0 HB ILE A 41 2.951 6.360 -24.804 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.502 4.195 -26.870 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.710 3.981 -25.322 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.664 7.180 -27.147 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.062 7.919 -26.330 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.311 6.620 -27.521 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.072 3.984 -27.152 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.811 5.384 -26.085 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.616 5.601 -27.658 1.00 0.00 H new ATOM 626 N ALA A 42 5.699 7.872 -24.437 1.00 0.00 N ATOM 627 CA ALA A 42 6.164 9.002 -23.640 1.00 0.00 C ATOM 628 C ALA A 42 7.395 8.625 -22.804 1.00 0.00 C ATOM 629 O ALA A 42 7.498 9.133 -21.666 1.00 0.00 O ATOM 630 CB ALA A 42 5.013 9.570 -22.797 1.00 0.00 C ATOM 631 OXT ALA A 42 8.234 7.867 -23.340 1.00 0.00 O ATOM 0 H ALA A 42 5.677 8.077 -25.436 1.00 0.00 H new ATOM 0 HA ALA A 42 6.490 9.798 -24.310 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.375 10.412 -22.208 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.211 9.905 -23.455 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.635 8.796 -22.129 1.00 0.00 H new TER 637 ALA A 42