USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN :FLIP amide:sc= 1.5 F(o=-0.47!,f=2.6) USER MOD Set 1.2: A 37 THR OG1 : rot -61:sc= 1.1 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -160:sc= -0.75 USER MOD Single : A 24 THR OG1 : rot 171:sc= -0.987 USER MOD Single : A 25 MET CE :methyl -175:sc= -3.74! (180deg=-4.17!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= -0.187 (180deg=-1.8!) USER MOD Single : A 32 THR OG1 : rot 76:sc= 0.41 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.062) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -4.917 -9.282 -6.285 1.00 0.00 N ATOM 89 CA GLU A 7 -6.125 -8.723 -5.689 1.00 0.00 C ATOM 90 C GLU A 7 -7.309 -9.669 -5.868 1.00 0.00 C ATOM 91 O GLU A 7 -7.149 -10.803 -6.322 1.00 0.00 O ATOM 92 CB GLU A 7 -6.446 -7.363 -6.314 1.00 0.00 C ATOM 93 CG GLU A 7 -5.274 -6.396 -6.302 1.00 0.00 C ATOM 94 CD GLU A 7 -4.969 -5.866 -4.914 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.815 -6.043 -4.013 1.00 0.00 O ATOM 96 OE2 GLU A 7 -3.885 -5.275 -4.729 1.00 0.00 O ATOM 0 HA GLU A 7 -5.945 -8.592 -4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.772 -7.513 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.282 -6.914 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.391 -6.897 -6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.491 -5.560 -6.967 1.00 0.00 H new ATOM 103 N LEU A 8 -8.496 -9.196 -5.507 1.00 0.00 N ATOM 104 CA LEU A 8 -9.708 -9.999 -5.626 1.00 0.00 C ATOM 105 C LEU A 8 -10.737 -9.303 -6.512 1.00 0.00 C ATOM 106 O LEU A 8 -10.764 -8.076 -6.605 1.00 0.00 O ATOM 107 CB LEU A 8 -10.306 -10.264 -4.243 1.00 0.00 C ATOM 108 CG LEU A 8 -9.509 -11.204 -3.337 1.00 0.00 C ATOM 109 CD1 LEU A 8 -9.945 -11.045 -1.889 1.00 0.00 C ATOM 110 CD2 LEU A 8 -9.673 -12.647 -3.790 1.00 0.00 C ATOM 0 H LEU A 8 -8.646 -8.260 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.441 -10.949 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.422 -9.309 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.305 -10.679 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.454 -10.940 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.368 -11.721 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.775 -10.017 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.005 -11.283 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.099 -13.302 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.726 -12.924 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.311 -12.751 -4.813 1.00 0.00 H new ATOM 122 N VAL A 9 -11.585 -10.096 -7.160 1.00 0.00 N ATOM 123 CA VAL A 9 -12.618 -9.557 -8.036 1.00 0.00 C ATOM 124 C VAL A 9 -13.998 -10.069 -7.637 1.00 0.00 C ATOM 125 O VAL A 9 -14.132 -11.163 -7.086 1.00 0.00 O ATOM 126 CB VAL A 9 -12.353 -9.923 -9.508 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.065 -9.276 -9.995 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.299 -11.433 -9.680 1.00 0.00 C ATOM 0 H VAL A 9 -11.577 -11.114 -7.095 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.590 -8.473 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.175 -9.541 -10.113 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.894 -9.546 -11.037 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.147 -8.192 -9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.230 -9.626 -9.388 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.111 -11.674 -10.726 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.497 -11.841 -9.064 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.250 -11.868 -9.373 1.00 0.00 H new ATOM 138 N LEU A 10 -15.023 -9.272 -7.919 1.00 0.00 N ATOM 139 CA LEU A 10 -16.394 -9.644 -7.591 1.00 0.00 C ATOM 140 C LEU A 10 -17.111 -10.213 -8.811 1.00 0.00 C ATOM 141 O LEU A 10 -16.958 -9.709 -9.924 1.00 0.00 O ATOM 142 CB LEU A 10 -17.158 -8.432 -7.056 1.00 0.00 C ATOM 143 CG LEU A 10 -18.660 -8.625 -6.841 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.917 -9.473 -5.605 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.360 -7.279 -6.723 1.00 0.00 C ATOM 0 H LEU A 10 -14.930 -8.364 -8.374 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.361 -10.414 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.711 -8.136 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.014 -7.603 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 10 -19.067 -9.148 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.991 -9.600 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.449 -10.450 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.495 -8.978 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.428 -7.436 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.950 -6.728 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.205 -6.707 -7.638 1.00 0.00 H new ATOM 157 N ALA A 11 -17.896 -11.263 -8.594 1.00 0.00 N ATOM 158 CA ALA A 11 -18.640 -11.898 -9.675 1.00 0.00 C ATOM 159 C ALA A 11 -20.018 -11.266 -9.838 1.00 0.00 C ATOM 160 O ALA A 11 -20.755 -11.099 -8.865 1.00 0.00 O ATOM 161 CB ALA A 11 -18.769 -13.392 -9.421 1.00 0.00 C ATOM 0 H ALA A 11 -18.033 -11.692 -7.679 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.087 -11.745 -10.602 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.327 -13.853 -10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.776 -13.838 -9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.297 -13.557 -8.482 1.00 0.00 H new ATOM 167 N LEU A 12 -20.361 -10.914 -11.072 1.00 0.00 N ATOM 168 CA LEU A 12 -21.652 -10.299 -11.362 1.00 0.00 C ATOM 169 C LEU A 12 -22.727 -11.361 -11.567 1.00 0.00 C ATOM 170 O LEU A 12 -23.713 -11.411 -10.832 1.00 0.00 O ATOM 171 CB LEU A 12 -21.549 -9.414 -12.605 1.00 0.00 C ATOM 172 CG LEU A 12 -20.513 -8.291 -12.546 1.00 0.00 C ATOM 173 CD1 LEU A 12 -20.282 -7.705 -13.930 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.956 -7.208 -11.573 1.00 0.00 C ATOM 0 H LEU A 12 -19.763 -11.044 -11.888 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.934 -9.684 -10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.319 -10.049 -13.460 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.527 -8.970 -12.792 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.572 -8.709 -12.189 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.542 -6.907 -13.868 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.920 -8.485 -14.600 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.219 -7.302 -14.315 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.207 -6.417 -11.544 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.909 -6.793 -11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.069 -7.637 -10.578 1.00 0.00 H new ATOM 186 N TYR A 13 -22.529 -12.210 -12.570 1.00 0.00 N ATOM 187 CA TYR A 13 -23.482 -13.272 -12.872 1.00 0.00 C ATOM 188 C TYR A 13 -22.834 -14.645 -12.721 1.00 0.00 C ATOM 189 O TYR A 13 -21.612 -14.760 -12.624 1.00 0.00 O ATOM 190 CB TYR A 13 -24.028 -13.106 -14.291 1.00 0.00 C ATOM 191 CG TYR A 13 -24.771 -11.807 -14.506 1.00 0.00 C ATOM 192 CD1 TYR A 13 -24.086 -10.604 -14.625 1.00 0.00 C ATOM 193 CD2 TYR A 13 -26.158 -11.783 -14.593 1.00 0.00 C ATOM 194 CE1 TYR A 13 -24.761 -9.415 -14.821 1.00 0.00 C ATOM 195 CE2 TYR A 13 -26.840 -10.598 -14.790 1.00 0.00 C ATOM 196 CZ TYR A 13 -26.138 -9.417 -14.903 1.00 0.00 C ATOM 197 OH TYR A 13 -26.813 -8.234 -15.100 1.00 0.00 O ATOM 0 H TYR A 13 -21.717 -12.183 -13.187 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.306 -13.200 -12.162 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.201 -13.163 -14.998 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -24.696 -13.938 -14.514 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -23.008 -10.599 -14.563 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -26.712 -12.706 -14.505 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -24.213 -8.488 -14.910 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -27.918 -10.597 -14.855 1.00 0.00 H new ATOM 0 HH TYR A 13 -27.777 -8.409 -15.136 1.00 0.00 H new ATOM 207 N ASP A 14 -23.662 -15.683 -12.703 1.00 0.00 N ATOM 208 CA ASP A 14 -23.171 -17.050 -12.566 1.00 0.00 C ATOM 209 C ASP A 14 -22.694 -17.593 -13.909 1.00 0.00 C ATOM 210 O ASP A 14 -23.310 -17.344 -14.945 1.00 0.00 O ATOM 211 CB ASP A 14 -24.266 -17.953 -11.997 1.00 0.00 C ATOM 212 CG ASP A 14 -25.502 -17.988 -12.875 1.00 0.00 C ATOM 213 OD1 ASP A 14 -26.298 -17.027 -12.818 1.00 0.00 O ATOM 214 OD2 ASP A 14 -25.673 -18.976 -13.619 1.00 0.00 O ATOM 0 H ASP A 14 -24.676 -15.605 -12.781 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.326 -17.039 -11.878 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.876 -18.964 -11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.541 -17.603 -11.002 1.00 0.00 H new ATOM 219 N TYR A 15 -21.592 -18.335 -13.884 1.00 0.00 N ATOM 220 CA TYR A 15 -21.030 -18.910 -15.100 1.00 0.00 C ATOM 221 C TYR A 15 -20.430 -20.286 -14.824 1.00 0.00 C ATOM 222 O TYR A 15 -20.289 -20.694 -13.672 1.00 0.00 O ATOM 223 CB TYR A 15 -19.962 -17.983 -15.681 1.00 0.00 C ATOM 224 CG TYR A 15 -19.775 -18.135 -17.174 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.703 -17.615 -18.067 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.670 -18.801 -17.691 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.537 -17.753 -19.431 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.495 -18.942 -19.054 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.431 -18.417 -19.920 1.00 0.00 C ATOM 230 OH TYR A 15 -19.261 -18.556 -21.278 1.00 0.00 O ATOM 0 H TYR A 15 -21.070 -18.552 -13.035 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.836 -19.023 -15.825 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.231 -16.950 -15.460 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -19.013 -18.179 -15.183 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.570 -17.094 -17.688 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -17.936 -19.215 -17.016 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.269 -17.343 -20.111 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.630 -19.461 -19.439 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.432 -19.047 -21.455 1.00 0.00 H new ATOM 240 N GLN A 16 -20.078 -20.995 -15.892 1.00 0.00 N ATOM 241 CA GLN A 16 -19.493 -22.324 -15.766 1.00 0.00 C ATOM 242 C GLN A 16 -18.229 -22.445 -16.612 1.00 0.00 C ATOM 243 O GLN A 16 -18.062 -21.731 -17.600 1.00 0.00 O ATOM 244 CB GLN A 16 -20.505 -23.392 -16.185 1.00 0.00 C ATOM 245 CG GLN A 16 -21.389 -23.872 -15.045 1.00 0.00 C ATOM 246 CD GLN A 16 -22.420 -24.889 -15.494 1.00 0.00 C ATOM 247 OE1 GLN A 16 -22.775 -24.951 -16.672 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.906 -25.693 -14.557 1.00 0.00 N ATOM 0 H GLN A 16 -20.188 -20.671 -16.853 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.225 -22.478 -14.721 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.135 -22.992 -16.979 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.969 -24.245 -16.602 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.765 -24.312 -14.267 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.898 -23.017 -14.600 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.583 -25.607 -13.593 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.602 -26.398 -14.800 1.00 0.00 H new ATOM 257 N GLU A 17 -17.343 -23.354 -16.217 1.00 0.00 N ATOM 258 CA GLU A 17 -16.095 -23.567 -16.940 1.00 0.00 C ATOM 259 C GLU A 17 -16.334 -24.371 -18.215 1.00 0.00 C ATOM 260 O GLU A 17 -15.970 -25.544 -18.301 1.00 0.00 O ATOM 261 CB GLU A 17 -15.082 -24.291 -16.050 1.00 0.00 C ATOM 262 CG GLU A 17 -15.617 -25.576 -15.440 1.00 0.00 C ATOM 263 CD GLU A 17 -15.378 -25.655 -13.944 1.00 0.00 C ATOM 264 OE1 GLU A 17 -14.409 -25.031 -13.464 1.00 0.00 O ATOM 265 OE2 GLU A 17 -16.160 -26.342 -13.255 1.00 0.00 O ATOM 0 H GLU A 17 -17.466 -23.954 -15.401 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.694 -22.592 -17.216 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.193 -24.520 -16.638 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.770 -23.621 -15.249 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.686 -25.650 -15.638 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.143 -26.429 -15.926 1.00 0.00 H new ATOM 272 N LYS A 18 -16.949 -23.731 -19.203 1.00 0.00 N ATOM 273 CA LYS A 18 -17.237 -24.383 -20.475 1.00 0.00 C ATOM 274 C LYS A 18 -15.954 -24.875 -21.138 1.00 0.00 C ATOM 275 O LYS A 18 -15.977 -25.804 -21.944 1.00 0.00 O ATOM 276 CB LYS A 18 -17.970 -23.420 -21.411 1.00 0.00 C ATOM 277 CG LYS A 18 -18.660 -24.110 -22.576 1.00 0.00 C ATOM 278 CD LYS A 18 -19.262 -23.105 -23.543 1.00 0.00 C ATOM 279 CE LYS A 18 -19.991 -23.797 -24.684 1.00 0.00 C ATOM 280 NZ LYS A 18 -20.015 -22.960 -25.915 1.00 0.00 N ATOM 0 H LYS A 18 -17.258 -22.761 -19.147 1.00 0.00 H new ATOM 0 HA LYS A 18 -17.875 -25.244 -20.276 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.712 -22.864 -20.838 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.258 -22.693 -21.801 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.943 -24.739 -23.104 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.443 -24.767 -22.198 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.955 -22.454 -23.009 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.474 -22.469 -23.946 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -19.506 -24.748 -24.901 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -21.013 -24.023 -24.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -20.521 -23.467 -26.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.501 -22.062 -25.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.040 -22.766 -26.222 1.00 0.00 H new ATOM 294 N SER A 19 -14.835 -24.245 -20.791 1.00 0.00 N ATOM 295 CA SER A 19 -13.543 -24.617 -21.354 1.00 0.00 C ATOM 296 C SER A 19 -12.578 -25.056 -20.256 1.00 0.00 C ATOM 297 O SER A 19 -12.766 -24.763 -19.075 1.00 0.00 O ATOM 298 CB SER A 19 -12.946 -23.444 -22.134 1.00 0.00 C ATOM 299 OG SER A 19 -13.584 -22.226 -21.792 1.00 0.00 O ATOM 0 H SER A 19 -14.798 -23.475 -20.123 1.00 0.00 H new ATOM 0 HA SER A 19 -13.698 -25.455 -22.034 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.879 -23.370 -21.925 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.050 -23.624 -23.204 1.00 0.00 H new ATOM 0 HG SER A 19 -13.427 -21.565 -22.498 1.00 0.00 H new ATOM 305 N PRO A 20 -11.519 -25.777 -20.654 1.00 0.00 N ATOM 306 CA PRO A 20 -10.503 -26.272 -19.720 1.00 0.00 C ATOM 307 C PRO A 20 -9.647 -25.149 -19.146 1.00 0.00 C ATOM 308 O PRO A 20 -8.890 -25.355 -18.197 1.00 0.00 O ATOM 309 CB PRO A 20 -9.652 -27.205 -20.584 1.00 0.00 C ATOM 310 CG PRO A 20 -9.829 -26.700 -21.975 1.00 0.00 C ATOM 311 CD PRO A 20 -11.232 -26.164 -22.045 1.00 0.00 C ATOM 0 HA PRO A 20 -10.949 -26.760 -18.853 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.605 -27.178 -20.283 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.983 -28.240 -20.493 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.102 -25.921 -22.203 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.679 -27.498 -22.702 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.304 -25.313 -22.722 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.933 -26.917 -22.405 1.00 0.00 H new ATOM 319 N ARG A 21 -9.770 -23.960 -19.728 1.00 0.00 N ATOM 320 CA ARG A 21 -9.006 -22.804 -19.275 1.00 0.00 C ATOM 321 C ARG A 21 -9.892 -21.840 -18.492 1.00 0.00 C ATOM 322 O ARG A 21 -9.402 -21.039 -17.696 1.00 0.00 O ATOM 323 CB ARG A 21 -8.378 -22.082 -20.468 1.00 0.00 C ATOM 324 CG ARG A 21 -7.086 -22.718 -20.954 1.00 0.00 C ATOM 325 CD ARG A 21 -6.555 -22.021 -22.197 1.00 0.00 C ATOM 326 NE ARG A 21 -5.105 -22.148 -22.318 1.00 0.00 N ATOM 327 CZ ARG A 21 -4.403 -21.629 -23.319 1.00 0.00 C ATOM 328 NH1 ARG A 21 -5.015 -20.951 -24.281 1.00 0.00 N ATOM 329 NH2 ARG A 21 -3.086 -21.787 -23.360 1.00 0.00 N ATOM 0 H ARG A 21 -10.392 -23.772 -20.514 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.214 -23.159 -18.616 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.095 -22.063 -21.289 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.182 -21.046 -20.192 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.337 -22.674 -20.163 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.258 -23.772 -21.172 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.031 -22.444 -23.081 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.825 -20.965 -22.164 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.604 -22.663 -21.594 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.027 -20.827 -24.253 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.473 -20.553 -25.049 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.612 -22.308 -22.622 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.548 -21.388 -24.129 1.00 0.00 H new ATOM 343 N GLU A 22 -11.199 -21.923 -18.724 1.00 0.00 N ATOM 344 CA GLU A 22 -12.152 -21.057 -18.041 1.00 0.00 C ATOM 345 C GLU A 22 -12.562 -21.652 -16.697 1.00 0.00 C ATOM 346 O GLU A 22 -12.598 -22.871 -16.530 1.00 0.00 O ATOM 347 CB GLU A 22 -13.390 -20.836 -18.913 1.00 0.00 C ATOM 348 CG GLU A 22 -14.029 -19.470 -18.729 1.00 0.00 C ATOM 349 CD GLU A 22 -15.156 -19.216 -19.710 1.00 0.00 C ATOM 350 OE1 GLU A 22 -15.459 -20.122 -20.515 1.00 0.00 O ATOM 351 OE2 GLU A 22 -15.736 -18.110 -19.674 1.00 0.00 O ATOM 0 H GLU A 22 -11.621 -22.581 -19.379 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.668 -20.097 -17.861 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.113 -20.960 -19.960 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.127 -21.606 -18.685 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.412 -19.386 -17.712 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.268 -18.698 -18.848 1.00 0.00 H new ATOM 358 N VAL A 23 -12.871 -20.782 -15.741 1.00 0.00 N ATOM 359 CA VAL A 23 -13.279 -21.220 -14.411 1.00 0.00 C ATOM 360 C VAL A 23 -14.749 -20.905 -14.156 1.00 0.00 C ATOM 361 O VAL A 23 -15.364 -20.125 -14.883 1.00 0.00 O ATOM 362 CB VAL A 23 -12.425 -20.556 -13.315 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.044 -21.191 -13.255 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.322 -19.057 -13.555 1.00 0.00 C ATOM 0 H VAL A 23 -12.847 -19.770 -15.862 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.130 -22.299 -14.373 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.913 -20.714 -12.353 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.455 -20.709 -12.475 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.141 -22.253 -13.032 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.544 -21.067 -14.216 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.715 -18.604 -12.771 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.858 -18.875 -14.524 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.319 -18.617 -13.542 1.00 0.00 H new ATOM 374 N THR A 24 -15.308 -21.517 -13.116 1.00 0.00 N ATOM 375 CA THR A 24 -16.706 -21.303 -12.765 1.00 0.00 C ATOM 376 C THR A 24 -16.864 -20.090 -11.856 1.00 0.00 C ATOM 377 O THR A 24 -16.107 -19.914 -10.901 1.00 0.00 O ATOM 378 CB THR A 24 -17.304 -22.537 -12.063 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.068 -23.710 -12.850 1.00 0.00 O ATOM 380 CG2 THR A 24 -18.798 -22.362 -11.840 1.00 0.00 C ATOM 0 H THR A 24 -14.813 -22.165 -12.503 1.00 0.00 H new ATOM 0 HA THR A 24 -17.243 -21.128 -13.697 1.00 0.00 H new ATOM 0 HB THR A 24 -16.819 -22.647 -11.093 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.319 -24.505 -12.335 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.198 -23.246 -11.343 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.973 -21.485 -11.217 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.296 -22.229 -12.800 1.00 0.00 H new ATOM 388 N MET A 25 -17.853 -19.255 -12.158 1.00 0.00 N ATOM 389 CA MET A 25 -18.112 -18.058 -11.366 1.00 0.00 C ATOM 390 C MET A 25 -19.502 -18.109 -10.741 1.00 0.00 C ATOM 391 O MET A 25 -20.373 -18.851 -11.198 1.00 0.00 O ATOM 392 CB MET A 25 -17.976 -16.806 -12.234 1.00 0.00 C ATOM 393 CG MET A 25 -17.301 -15.644 -11.524 1.00 0.00 C ATOM 394 SD MET A 25 -15.570 -15.454 -11.993 1.00 0.00 S ATOM 395 CE MET A 25 -15.007 -17.153 -11.904 1.00 0.00 C ATOM 0 H MET A 25 -18.488 -19.385 -12.945 1.00 0.00 H new ATOM 0 HA MET A 25 -17.374 -18.017 -10.565 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.406 -17.055 -13.129 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.967 -16.493 -12.564 1.00 0.00 H new ATOM 0 HG2 MET A 25 -17.838 -14.723 -11.751 1.00 0.00 H new ATOM 0 HG3 MET A 25 -17.367 -15.794 -10.446 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.932 -17.190 -12.081 1.00 0.00 H new ATOM 0 HE2 MET A 25 -15.226 -17.558 -10.916 1.00 0.00 H new ATOM 0 HE3 MET A 25 -15.520 -17.746 -12.661 1.00 0.00 H new ATOM 405 N LYS A 26 -19.706 -17.317 -9.694 1.00 0.00 N ATOM 406 CA LYS A 26 -20.991 -17.271 -9.007 1.00 0.00 C ATOM 407 C LYS A 26 -21.367 -15.836 -8.653 1.00 0.00 C ATOM 408 O LYS A 26 -20.604 -15.127 -7.995 1.00 0.00 O ATOM 409 CB LYS A 26 -20.945 -18.125 -7.738 1.00 0.00 C ATOM 410 CG LYS A 26 -22.187 -17.997 -6.874 1.00 0.00 C ATOM 411 CD LYS A 26 -22.126 -18.921 -5.669 1.00 0.00 C ATOM 412 CE LYS A 26 -21.398 -18.269 -4.503 1.00 0.00 C ATOM 413 NZ LYS A 26 -21.401 -19.136 -3.292 1.00 0.00 N ATOM 0 H LYS A 26 -18.997 -16.697 -9.302 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.749 -17.672 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.813 -19.170 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.073 -17.840 -7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.293 -16.966 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.070 -18.231 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.137 -19.190 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -21.620 -19.846 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -20.370 -18.053 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -21.870 -17.315 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -20.895 -18.656 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -22.382 -19.322 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -20.928 -20.036 -3.509 1.00 0.00 H new ATOM 427 N LYS A 27 -22.548 -15.413 -9.091 1.00 0.00 N ATOM 428 CA LYS A 27 -23.027 -14.063 -8.818 1.00 0.00 C ATOM 429 C LYS A 27 -22.934 -13.743 -7.330 1.00 0.00 C ATOM 430 O LYS A 27 -23.588 -14.382 -6.506 1.00 0.00 O ATOM 431 CB LYS A 27 -24.473 -13.907 -9.295 1.00 0.00 C ATOM 432 CG LYS A 27 -25.428 -14.915 -8.679 1.00 0.00 C ATOM 433 CD LYS A 27 -26.749 -14.961 -9.429 1.00 0.00 C ATOM 434 CE LYS A 27 -27.659 -13.811 -9.026 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.309 -12.551 -9.738 1.00 0.00 N ATOM 0 H LYS A 27 -23.191 -15.986 -9.637 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.394 -13.363 -9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.818 -12.900 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.502 -14.008 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.970 -15.904 -8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -25.609 -14.656 -7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.561 -14.919 -10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.249 -15.909 -9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.694 -14.074 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.588 -13.652 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -26.909 -11.870 -9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.609 -12.754 -10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -28.164 -12.148 -10.171 1.00 0.00 H new ATOM 449 N GLY A 28 -22.118 -12.749 -6.992 1.00 0.00 N ATOM 450 CA GLY A 28 -21.957 -12.361 -5.603 1.00 0.00 C ATOM 451 C GLY A 28 -20.806 -13.083 -4.930 1.00 0.00 C ATOM 452 O GLY A 28 -20.694 -13.079 -3.704 1.00 0.00 O ATOM 0 H GLY A 28 -21.566 -12.206 -7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.790 -11.285 -5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.880 -12.570 -5.061 1.00 0.00 H new ATOM 456 N ASP A 29 -19.949 -13.705 -5.733 1.00 0.00 N ATOM 457 CA ASP A 29 -18.801 -14.434 -5.208 1.00 0.00 C ATOM 458 C ASP A 29 -17.514 -13.640 -5.408 1.00 0.00 C ATOM 459 O ASP A 29 -17.523 -12.568 -6.013 1.00 0.00 O ATOM 460 CB ASP A 29 -18.684 -15.800 -5.887 1.00 0.00 C ATOM 461 CG ASP A 29 -18.021 -16.834 -4.997 1.00 0.00 C ATOM 462 OD1 ASP A 29 -18.281 -16.820 -3.775 1.00 0.00 O ATOM 463 OD2 ASP A 29 -17.244 -17.657 -5.523 1.00 0.00 O ATOM 0 H ASP A 29 -20.028 -13.719 -6.750 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.953 -14.580 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.678 -16.150 -6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.111 -15.697 -6.808 1.00 0.00 H new ATOM 468 N ILE A 30 -16.410 -14.174 -4.897 1.00 0.00 N ATOM 469 CA ILE A 30 -15.116 -13.515 -5.020 1.00 0.00 C ATOM 470 C ILE A 30 -14.078 -14.452 -5.628 1.00 0.00 C ATOM 471 O ILE A 30 -14.054 -15.647 -5.331 1.00 0.00 O ATOM 472 CB ILE A 30 -14.605 -13.017 -3.655 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.704 -12.241 -2.927 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.368 -12.150 -3.837 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.284 -11.733 -1.566 1.00 0.00 C ATOM 0 H ILE A 30 -16.386 -15.061 -4.394 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.260 -12.659 -5.679 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.333 -13.881 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -16.010 -11.395 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.577 -12.884 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.019 -11.806 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.583 -12.733 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.615 -11.290 -4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.112 -11.193 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.006 -12.576 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.430 -11.064 -1.675 1.00 0.00 H new ATOM 487 N LEU A 31 -13.219 -13.902 -6.480 1.00 0.00 N ATOM 488 CA LEU A 31 -12.176 -14.688 -7.129 1.00 0.00 C ATOM 489 C LEU A 31 -10.811 -14.029 -6.957 1.00 0.00 C ATOM 490 O LEU A 31 -10.716 -12.857 -6.589 1.00 0.00 O ATOM 491 CB LEU A 31 -12.489 -14.858 -8.617 1.00 0.00 C ATOM 492 CG LEU A 31 -13.547 -15.905 -8.964 1.00 0.00 C ATOM 493 CD1 LEU A 31 -13.152 -17.267 -8.414 1.00 0.00 C ATOM 494 CD2 LEU A 31 -14.908 -15.487 -8.428 1.00 0.00 C ATOM 0 H LEU A 31 -13.225 -12.915 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.148 -15.669 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.816 -13.896 -9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.566 -15.118 -9.135 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.613 -15.979 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.917 -17.999 -8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.199 -17.571 -8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.056 -17.208 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.648 -16.245 -8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.856 -15.383 -7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.196 -14.533 -8.871 1.00 0.00 H new ATOM 506 N THR A 32 -9.754 -14.789 -7.228 1.00 0.00 N ATOM 507 CA THR A 32 -8.394 -14.279 -7.105 1.00 0.00 C ATOM 508 C THR A 32 -7.890 -13.730 -8.435 1.00 0.00 C ATOM 509 O THR A 32 -7.715 -14.475 -9.400 1.00 0.00 O ATOM 510 CB THR A 32 -7.427 -15.372 -6.614 1.00 0.00 C ATOM 511 OG1 THR A 32 -8.131 -16.324 -5.809 1.00 0.00 O ATOM 512 CG2 THR A 32 -6.287 -14.765 -5.810 1.00 0.00 C ATOM 0 H THR A 32 -9.814 -15.760 -7.534 1.00 0.00 H new ATOM 0 HA THR A 32 -8.423 -13.474 -6.371 1.00 0.00 H new ATOM 0 HB THR A 32 -7.008 -15.874 -7.486 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.661 -16.913 -6.386 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.617 -15.556 -5.474 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.735 -14.063 -6.435 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.691 -14.240 -4.945 1.00 0.00 H new ATOM 520 N LEU A 33 -7.658 -12.423 -8.480 1.00 0.00 N ATOM 521 CA LEU A 33 -7.172 -11.773 -9.693 1.00 0.00 C ATOM 522 C LEU A 33 -5.743 -12.204 -10.006 1.00 0.00 C ATOM 523 O LEU A 33 -4.874 -12.194 -9.133 1.00 0.00 O ATOM 524 CB LEU A 33 -7.237 -10.253 -9.542 1.00 0.00 C ATOM 525 CG LEU A 33 -7.195 -9.447 -10.841 1.00 0.00 C ATOM 526 CD1 LEU A 33 -5.817 -9.533 -11.478 1.00 0.00 C ATOM 527 CD2 LEU A 33 -8.263 -9.937 -11.807 1.00 0.00 C ATOM 0 H LEU A 33 -7.798 -11.792 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.813 -12.077 -10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.154 -10.000 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.406 -9.935 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.399 -8.403 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.806 -8.954 -12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.072 -9.133 -10.790 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.583 -10.574 -11.700 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.218 -9.352 -12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.091 -10.988 -12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.246 -9.822 -11.351 1.00 0.00 H new ATOM 539 N LEU A 34 -5.505 -12.581 -11.258 1.00 0.00 N ATOM 540 CA LEU A 34 -4.180 -13.013 -11.688 1.00 0.00 C ATOM 541 C LEU A 34 -3.692 -12.179 -12.868 1.00 0.00 C ATOM 542 O LEU A 34 -2.541 -11.747 -12.901 1.00 0.00 O ATOM 543 CB LEU A 34 -4.204 -14.494 -12.070 1.00 0.00 C ATOM 544 CG LEU A 34 -3.775 -15.476 -10.979 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.717 -15.395 -9.788 1.00 0.00 C ATOM 546 CD2 LEU A 34 -3.726 -16.894 -11.527 1.00 0.00 C ATOM 0 H LEU A 34 -6.212 -12.596 -11.993 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.490 -12.870 -10.856 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.215 -14.751 -12.385 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.555 -14.636 -12.934 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.774 -15.203 -10.644 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.396 -16.101 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.702 -14.384 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.729 -15.642 -10.107 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.419 -17.579 -10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.714 -17.178 -11.890 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.010 -16.942 -12.348 1.00 0.00 H new ATOM 558 N ASN A 35 -4.576 -11.957 -13.835 1.00 0.00 N ATOM 559 CA ASN A 35 -4.236 -11.173 -15.017 1.00 0.00 C ATOM 560 C ASN A 35 -5.415 -10.310 -15.455 1.00 0.00 C ATOM 561 O ASN A 35 -6.507 -10.816 -15.711 1.00 0.00 O ATOM 562 CB ASN A 35 -3.812 -12.096 -16.161 1.00 0.00 C ATOM 563 CG ASN A 35 -3.137 -11.343 -17.291 1.00 0.00 C ATOM 564 OD1 ASN A 35 -3.926 -10.611 -18.069 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -1.920 -11.418 -17.462 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.533 -12.309 -13.824 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.404 -10.517 -14.761 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.132 -12.857 -15.778 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.688 -12.617 -16.547 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.352 -11.993 -16.840 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.480 -10.905 -18.226 1.00 0.00 H new ATOM 572 N SER A 36 -5.185 -9.003 -15.541 1.00 0.00 N ATOM 573 CA SER A 36 -6.228 -8.069 -15.945 1.00 0.00 C ATOM 574 C SER A 36 -5.777 -7.235 -17.141 1.00 0.00 C ATOM 575 O SER A 36 -6.206 -6.093 -17.315 1.00 0.00 O ATOM 576 CB SER A 36 -6.599 -7.150 -14.780 1.00 0.00 C ATOM 577 OG SER A 36 -5.592 -6.178 -14.555 1.00 0.00 O ATOM 0 H SER A 36 -4.285 -8.568 -15.336 1.00 0.00 H new ATOM 0 HA SER A 36 -7.105 -8.647 -16.236 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.546 -6.654 -14.992 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.744 -7.743 -13.877 1.00 0.00 H new ATOM 0 HG SER A 36 -5.854 -5.602 -13.806 1.00 0.00 H new ATOM 583 N THR A 37 -4.909 -7.814 -17.964 1.00 0.00 N ATOM 584 CA THR A 37 -4.398 -7.126 -19.143 1.00 0.00 C ATOM 585 C THR A 37 -5.244 -7.439 -20.372 1.00 0.00 C ATOM 586 O THR A 37 -4.716 -7.643 -21.465 1.00 0.00 O ATOM 587 CB THR A 37 -2.935 -7.513 -19.429 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.872 -8.848 -19.944 1.00 0.00 O ATOM 589 CG2 THR A 37 -2.092 -7.412 -18.167 1.00 0.00 C ATOM 0 H THR A 37 -4.545 -8.758 -17.836 1.00 0.00 H new ATOM 0 HA THR A 37 -4.449 -6.058 -18.933 1.00 0.00 H new ATOM 0 HB THR A 37 -2.538 -6.819 -20.170 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.227 -9.473 -19.278 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.063 -7.690 -18.394 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.117 -6.388 -17.793 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.491 -8.085 -17.408 1.00 0.00 H new ATOM 597 N ASN A 38 -6.559 -7.476 -20.186 1.00 0.00 N ATOM 598 CA ASN A 38 -7.478 -7.765 -21.281 1.00 0.00 C ATOM 599 C ASN A 38 -8.901 -7.347 -20.921 1.00 0.00 C ATOM 600 O ASN A 38 -9.544 -7.961 -20.070 1.00 0.00 O ATOM 601 CB ASN A 38 -7.444 -9.255 -21.624 1.00 0.00 C ATOM 602 CG ASN A 38 -7.087 -9.506 -23.077 1.00 0.00 C ATOM 603 OD1 ASN A 38 -6.071 -10.132 -23.379 1.00 0.00 O ATOM 604 ND2 ASN A 38 -7.925 -9.018 -23.984 1.00 0.00 N ATOM 0 H ASN A 38 -7.012 -7.310 -19.288 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.158 -7.192 -22.151 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.719 -9.756 -20.983 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.417 -9.697 -21.410 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.738 -9.156 -24.977 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.755 -8.505 -23.687 1.00 0.00 H new ATOM 611 N LYS A 39 -9.387 -6.298 -21.576 1.00 0.00 N ATOM 612 CA LYS A 39 -10.734 -5.797 -21.329 1.00 0.00 C ATOM 613 C LYS A 39 -11.780 -6.843 -21.701 1.00 0.00 C ATOM 614 O LYS A 39 -12.943 -6.738 -21.310 1.00 0.00 O ATOM 615 CB LYS A 39 -10.977 -4.512 -22.123 1.00 0.00 C ATOM 616 CG LYS A 39 -10.731 -4.664 -23.615 1.00 0.00 C ATOM 617 CD LYS A 39 -9.403 -4.051 -24.026 1.00 0.00 C ATOM 618 CE LYS A 39 -9.558 -2.584 -24.397 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.252 -1.961 -24.752 1.00 0.00 N ATOM 0 H LYS A 39 -8.867 -5.778 -22.283 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.824 -5.581 -20.265 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.005 -4.185 -21.964 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.329 -3.726 -21.734 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.743 -5.721 -23.881 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.540 -4.187 -24.169 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.688 -4.147 -23.209 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.994 -4.601 -24.874 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.245 -2.493 -25.239 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.003 -2.043 -23.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.400 -0.962 -24.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.605 -2.025 -23.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.839 -2.461 -25.565 1.00 0.00 H new ATOM 633 N ASP A 40 -11.359 -7.852 -22.456 1.00 0.00 N ATOM 634 CA ASP A 40 -12.259 -8.919 -22.878 1.00 0.00 C ATOM 635 C ASP A 40 -12.435 -9.952 -21.770 1.00 0.00 C ATOM 636 O ASP A 40 -13.491 -10.028 -21.141 1.00 0.00 O ATOM 637 CB ASP A 40 -11.725 -9.594 -24.142 1.00 0.00 C ATOM 638 CG ASP A 40 -11.669 -8.648 -25.325 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.684 -8.536 -26.044 1.00 0.00 O ATOM 640 OD2 ASP A 40 -10.610 -8.019 -25.532 1.00 0.00 O ATOM 0 H ASP A 40 -10.400 -7.953 -22.788 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.231 -8.477 -23.094 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.727 -9.986 -23.947 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.359 -10.445 -24.391 1.00 0.00 H new ATOM 645 N TRP A 41 -11.395 -10.745 -21.537 1.00 0.00 N ATOM 646 CA TRP A 41 -11.436 -11.774 -20.505 1.00 0.00 C ATOM 647 C TRP A 41 -10.359 -11.533 -19.452 1.00 0.00 C ATOM 648 O TRP A 41 -9.298 -10.986 -19.752 1.00 0.00 O ATOM 649 CB TRP A 41 -11.255 -13.159 -21.129 1.00 0.00 C ATOM 650 CG TRP A 41 -12.154 -13.402 -22.304 1.00 0.00 C ATOM 651 CD1 TRP A 41 -12.006 -12.902 -23.566 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.339 -14.205 -22.325 1.00 0.00 C ATOM 653 NE1 TRP A 41 -13.028 -13.345 -24.370 1.00 0.00 N ATOM 654 CE2 TRP A 41 -13.859 -14.147 -23.633 1.00 0.00 C ATOM 655 CE3 TRP A 41 -14.010 -14.969 -21.366 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -15.018 -14.823 -24.003 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.161 -15.639 -21.736 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.656 -15.563 -23.045 1.00 0.00 C ATOM 0 H TRP A 41 -10.514 -10.695 -22.048 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.410 -11.727 -20.019 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.218 -13.275 -21.444 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.445 -13.919 -20.371 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.203 -12.254 -23.885 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.149 -13.114 -25.356 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.636 -15.035 -20.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.401 -14.765 -25.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.688 -16.232 -21.003 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.558 -16.099 -23.302 1.00 0.00 H new ATOM 669 N TRP A 42 -10.640 -11.944 -18.221 1.00 0.00 N ATOM 670 CA TRP A 42 -9.693 -11.772 -17.124 1.00 0.00 C ATOM 671 C TRP A 42 -9.297 -13.120 -16.531 1.00 0.00 C ATOM 672 O TRP A 42 -10.128 -14.018 -16.396 1.00 0.00 O ATOM 673 CB TRP A 42 -10.297 -10.880 -16.038 1.00 0.00 C ATOM 674 CG TRP A 42 -10.269 -9.422 -16.383 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.511 -8.823 -17.348 1.00 0.00 C ATOM 676 CD2 TRP A 42 -11.031 -8.380 -15.765 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.756 -7.471 -17.367 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.686 -7.174 -16.405 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.974 -8.349 -14.733 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -11.249 -5.953 -16.046 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.532 -7.136 -14.378 1.00 0.00 C ATOM 682 CH2 TRP A 42 -12.169 -5.951 -15.033 1.00 0.00 C ATOM 0 H TRP A 42 -11.514 -12.398 -17.957 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.797 -11.294 -17.521 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.329 -11.184 -15.860 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.754 -11.036 -15.106 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.820 -9.336 -18.001 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.317 -6.798 -17.995 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.261 -9.257 -14.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.970 -5.039 -16.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.261 -7.100 -13.582 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.624 -5.019 -14.732 1.00 0.00 H new ATOM 693 N LYS A 43 -8.023 -13.254 -16.178 1.00 0.00 N ATOM 694 CA LYS A 43 -7.516 -14.492 -15.598 1.00 0.00 C ATOM 695 C LYS A 43 -7.634 -14.468 -14.077 1.00 0.00 C ATOM 696 O LYS A 43 -6.978 -13.670 -13.407 1.00 0.00 O ATOM 697 CB LYS A 43 -6.057 -14.710 -16.004 1.00 0.00 C ATOM 698 CG LYS A 43 -5.616 -16.161 -15.933 1.00 0.00 C ATOM 699 CD LYS A 43 -4.108 -16.279 -15.782 1.00 0.00 C ATOM 700 CE LYS A 43 -3.398 -16.091 -17.113 1.00 0.00 C ATOM 701 NZ LYS A 43 -1.931 -15.909 -16.939 1.00 0.00 N ATOM 0 H LYS A 43 -7.323 -12.520 -16.284 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.119 -15.316 -15.979 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.913 -14.345 -17.021 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.415 -14.112 -15.357 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.106 -16.650 -15.091 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.934 -16.684 -16.835 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.753 -15.533 -15.071 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.858 -17.257 -15.370 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.583 -16.957 -17.749 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.813 -15.224 -17.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.484 -15.784 -17.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.753 -15.068 -16.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.530 -16.747 -16.472 1.00 0.00 H new ATOM 715 N VAL A 44 -8.472 -15.348 -13.539 1.00 0.00 N ATOM 716 CA VAL A 44 -8.673 -15.429 -12.097 1.00 0.00 C ATOM 717 C VAL A 44 -8.336 -16.821 -11.573 1.00 0.00 C ATOM 718 O VAL A 44 -8.013 -17.723 -12.344 1.00 0.00 O ATOM 719 CB VAL A 44 -10.124 -15.085 -11.712 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.519 -13.730 -12.278 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.074 -16.171 -12.194 1.00 0.00 C ATOM 0 H VAL A 44 -9.023 -16.015 -14.080 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.002 -14.700 -11.642 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.191 -15.032 -10.625 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.547 -13.504 -11.996 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.856 -12.962 -11.880 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.437 -13.752 -13.365 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.095 -15.912 -11.914 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.007 -16.258 -13.278 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.802 -17.122 -11.736 1.00 0.00 H new ATOM 731 N GLU A 45 -8.414 -16.986 -10.256 1.00 0.00 N ATOM 732 CA GLU A 45 -8.116 -18.268 -9.629 1.00 0.00 C ATOM 733 C GLU A 45 -9.170 -18.619 -8.582 1.00 0.00 C ATOM 734 O GLU A 45 -9.727 -17.739 -7.926 1.00 0.00 O ATOM 735 CB GLU A 45 -6.730 -18.235 -8.981 1.00 0.00 C ATOM 736 CG GLU A 45 -6.094 -19.607 -8.835 1.00 0.00 C ATOM 737 CD GLU A 45 -4.933 -19.611 -7.859 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.157 -19.307 -6.669 1.00 0.00 O ATOM 739 OE2 GLU A 45 -3.800 -19.918 -8.287 1.00 0.00 O ATOM 0 H GLU A 45 -8.681 -16.249 -9.604 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.128 -19.034 -10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.074 -17.601 -9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.809 -17.774 -7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.848 -20.319 -8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.745 -19.947 -9.810 1.00 0.00 H new ATOM 746 N VAL A 46 -9.439 -19.913 -8.433 1.00 0.00 N ATOM 747 CA VAL A 46 -10.425 -20.382 -7.467 1.00 0.00 C ATOM 748 C VAL A 46 -9.806 -21.371 -6.486 1.00 0.00 C ATOM 749 O VAL A 46 -8.815 -22.032 -6.795 1.00 0.00 O ATOM 750 CB VAL A 46 -11.622 -21.051 -8.167 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.159 -20.160 -9.276 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.226 -22.415 -8.712 1.00 0.00 C ATOM 0 H VAL A 46 -8.988 -20.654 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.776 -19.506 -6.922 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.415 -21.195 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.005 -20.650 -9.759 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.483 -19.209 -8.854 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.375 -19.982 -10.011 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.084 -22.874 -9.203 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.415 -22.298 -9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.894 -23.052 -7.892 1.00 0.00 H new ATOM 940 N GLN A 58 -6.258 -22.039 -11.556 1.00 0.00 N ATOM 941 CA GLN A 58 -6.151 -20.763 -12.255 1.00 0.00 C ATOM 942 C GLN A 58 -6.783 -20.846 -13.640 1.00 0.00 C ATOM 943 O GLN A 58 -6.395 -21.676 -14.462 1.00 0.00 O ATOM 944 CB GLN A 58 -4.684 -20.346 -12.374 1.00 0.00 C ATOM 945 CG GLN A 58 -3.836 -21.323 -13.172 1.00 0.00 C ATOM 946 CD GLN A 58 -2.388 -21.340 -12.724 1.00 0.00 C ATOM 947 OE1 GLN A 58 -1.474 -21.186 -13.535 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.170 -21.527 -11.428 1.00 0.00 N ATOM 0 HA GLN A 58 -6.689 -20.013 -11.676 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.631 -19.364 -12.844 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.262 -20.244 -11.374 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.254 -22.325 -13.075 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.882 -21.060 -14.229 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.957 -21.650 -10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.215 -21.547 -11.069 1.00 0.00 H new ATOM 957 N GLY A 59 -7.759 -19.979 -13.893 1.00 0.00 N ATOM 958 CA GLY A 59 -8.429 -19.972 -15.180 1.00 0.00 C ATOM 959 C GLY A 59 -8.775 -18.571 -15.645 1.00 0.00 C ATOM 960 O GLY A 59 -8.225 -17.590 -15.145 1.00 0.00 O ATOM 0 H GLY A 59 -8.097 -19.282 -13.230 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.790 -20.450 -15.922 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.341 -20.566 -15.115 1.00 0.00 H new ATOM 964 N PHE A 60 -9.687 -18.477 -16.607 1.00 0.00 N ATOM 965 CA PHE A 60 -10.103 -17.186 -17.142 1.00 0.00 C ATOM 966 C PHE A 60 -11.622 -17.042 -17.096 1.00 0.00 C ATOM 967 O PHE A 60 -12.343 -18.017 -16.885 1.00 0.00 O ATOM 968 CB PHE A 60 -9.608 -17.023 -18.581 1.00 0.00 C ATOM 969 CG PHE A 60 -10.430 -17.777 -19.587 1.00 0.00 C ATOM 970 CD1 PHE A 60 -11.526 -17.182 -20.192 1.00 0.00 C ATOM 971 CD2 PHE A 60 -10.108 -19.081 -19.928 1.00 0.00 C ATOM 972 CE1 PHE A 60 -12.284 -17.874 -21.117 1.00 0.00 C ATOM 973 CE2 PHE A 60 -10.862 -19.778 -20.853 1.00 0.00 C ATOM 974 CZ PHE A 60 -11.951 -19.173 -21.449 1.00 0.00 C ATOM 0 H PHE A 60 -10.152 -19.279 -17.032 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.662 -16.405 -16.522 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.612 -15.964 -18.840 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.574 -17.362 -18.642 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -11.790 -16.166 -19.938 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.257 -19.559 -19.465 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -13.136 -17.400 -21.580 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.600 -20.794 -21.109 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.541 -19.714 -22.173 1.00 0.00 H new ATOM 984 N VAL A 61 -12.100 -15.818 -17.293 1.00 0.00 N ATOM 985 CA VAL A 61 -13.532 -15.544 -17.274 1.00 0.00 C ATOM 986 C VAL A 61 -13.852 -14.239 -17.995 1.00 0.00 C ATOM 987 O VAL A 61 -12.993 -13.377 -18.180 1.00 0.00 O ATOM 988 CB VAL A 61 -14.070 -15.467 -15.833 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.489 -16.846 -15.345 1.00 0.00 C ATOM 990 CG2 VAL A 61 -13.027 -14.859 -14.908 1.00 0.00 C ATOM 0 H VAL A 61 -11.516 -15.000 -17.468 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.019 -16.370 -17.792 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.949 -14.823 -15.825 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.866 -16.772 -14.325 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.272 -17.239 -15.994 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.630 -17.516 -15.366 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.423 -14.812 -13.894 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.128 -15.475 -14.918 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.781 -13.853 -15.248 1.00 0.00 H new ATOM 1000 N PRO A 62 -15.118 -14.088 -18.412 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.581 -12.890 -19.118 1.00 0.00 C ATOM 1002 C PRO A 62 -15.631 -11.665 -18.211 1.00 0.00 C ATOM 1003 O PRO A 62 -16.291 -11.676 -17.173 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.991 -13.272 -19.577 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.434 -14.317 -18.612 1.00 0.00 C ATOM 1006 CD PRO A 62 -16.195 -15.076 -18.225 1.00 0.00 C ATOM 0 HA PRO A 62 -14.912 -12.613 -19.933 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.659 -12.411 -19.562 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.985 -13.653 -20.598 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.905 -13.867 -17.738 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -18.172 -14.979 -19.065 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -16.244 -15.427 -17.194 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -16.049 -15.954 -18.854 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.928 -10.611 -18.611 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.894 -9.377 -17.835 1.00 0.00 C ATOM 1016 C ALA A 63 -16.271 -8.724 -17.781 1.00 0.00 C ATOM 1017 O ALA A 63 -16.505 -7.812 -16.989 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.873 -8.413 -18.421 1.00 0.00 C ATOM 0 H ALA A 63 -14.374 -10.586 -19.467 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.599 -9.626 -16.816 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.858 -7.496 -17.832 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.885 -8.873 -18.401 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.143 -8.178 -19.451 1.00 0.00 H new ATOM 1024 N ALA A 64 -17.179 -9.198 -18.628 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.533 -8.660 -18.676 1.00 0.00 C ATOM 1026 C ALA A 64 -19.388 -9.227 -17.547 1.00 0.00 C ATOM 1027 O ALA A 64 -20.514 -8.780 -17.324 1.00 0.00 O ATOM 1028 CB ALA A 64 -19.171 -8.958 -20.025 1.00 0.00 C ATOM 0 H ALA A 64 -17.001 -9.953 -19.290 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.474 -7.579 -18.545 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.182 -8.551 -20.047 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.578 -8.501 -20.817 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.211 -10.036 -20.178 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.847 -10.212 -16.839 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.563 -10.841 -15.735 1.00 0.00 C ATOM 1036 C TYR A 65 -18.756 -10.753 -14.443 1.00 0.00 C ATOM 1037 O TYR A 65 -19.061 -11.429 -13.460 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.863 -12.304 -16.063 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.938 -12.482 -17.112 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -22.075 -11.683 -17.112 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -20.817 -13.448 -18.103 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -23.060 -11.841 -18.067 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -21.796 -13.613 -19.063 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.915 -12.807 -19.041 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.893 -12.969 -19.996 1.00 0.00 O ATOM 0 H TYR A 65 -17.916 -10.592 -17.009 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.503 -10.307 -15.593 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.948 -12.785 -16.408 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -20.169 -12.817 -15.151 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -22.190 -10.925 -16.352 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -19.942 -14.081 -18.123 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -23.938 -11.212 -18.051 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -21.686 -14.369 -19.827 1.00 0.00 H new ATOM 0 HH TYR A 65 -23.636 -13.690 -20.608 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.725 -9.914 -14.453 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.875 -9.734 -13.282 1.00 0.00 C ATOM 1057 C VAL A 66 -16.284 -8.330 -13.242 1.00 0.00 C ATOM 1058 O VAL A 66 -16.062 -7.708 -14.281 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.728 -10.763 -13.258 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -16.281 -12.180 -13.277 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.785 -10.534 -14.429 1.00 0.00 C ATOM 0 H VAL A 66 -17.458 -9.348 -15.259 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.507 -9.884 -12.406 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.164 -10.632 -12.335 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.456 -12.893 -13.260 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.913 -12.336 -12.403 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.870 -12.329 -14.182 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.981 -11.269 -14.397 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.335 -10.638 -15.364 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.363 -9.531 -14.365 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.031 -7.834 -12.035 1.00 0.00 N ATOM 1072 CA LYS A 67 -15.463 -6.503 -11.858 1.00 0.00 C ATOM 1073 C LYS A 67 -14.561 -6.456 -10.629 1.00 0.00 C ATOM 1074 O LYS A 67 -14.984 -6.786 -9.522 1.00 0.00 O ATOM 1075 CB LYS A 67 -16.579 -5.464 -11.725 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.214 -5.080 -13.050 1.00 0.00 C ATOM 1077 CD LYS A 67 -18.287 -4.019 -12.867 1.00 0.00 C ATOM 1078 CE LYS A 67 -17.691 -2.619 -12.866 1.00 0.00 C ATOM 1079 NZ LYS A 67 -18.674 -1.598 -13.323 1.00 0.00 N ATOM 0 H LYS A 67 -16.211 -8.335 -11.165 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.862 -6.271 -12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -17.351 -5.855 -11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.176 -4.569 -11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.446 -4.709 -13.729 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.650 -5.964 -13.515 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.023 -4.102 -13.667 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.815 -4.192 -11.929 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.350 -2.370 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.816 -2.596 -13.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.230 -0.658 -13.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.981 -1.821 -14.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.498 -1.602 -12.689 1.00 0.00 H new ATOM 1093 N LYS A 68 -13.315 -6.041 -10.832 1.00 0.00 N ATOM 1094 CA LYS A 68 -12.352 -5.947 -9.741 1.00 0.00 C ATOM 1095 C LYS A 68 -12.925 -5.143 -8.578 1.00 0.00 C ATOM 1096 O LYS A 68 -13.796 -4.293 -8.767 1.00 0.00 O ATOM 1097 CB LYS A 68 -11.055 -5.301 -10.232 1.00 0.00 C ATOM 1098 CG LYS A 68 -9.947 -5.293 -9.192 1.00 0.00 C ATOM 1099 CD LYS A 68 -9.838 -3.944 -8.503 1.00 0.00 C ATOM 1100 CE LYS A 68 -8.915 -3.003 -9.262 1.00 0.00 C ATOM 1101 NZ LYS A 68 -7.481 -3.272 -8.961 1.00 0.00 N ATOM 0 H LYS A 68 -12.948 -5.764 -11.743 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.137 -6.957 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.707 -5.833 -11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.263 -4.275 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.139 -6.067 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.998 -5.537 -9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.828 -3.496 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.464 -4.082 -7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.088 -3.110 -10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.154 -1.972 -9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.884 -2.611 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.310 -3.145 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.246 -4.248 -9.233 1.00 0.00 H new ATOM 1115 N LEU A 69 -12.429 -5.416 -7.376 1.00 0.00 N ATOM 1116 CA LEU A 69 -12.891 -4.716 -6.182 1.00 0.00 C ATOM 1117 C LEU A 69 -11.796 -3.813 -5.623 1.00 0.00 C ATOM 1118 O LEU A 69 -11.854 -2.591 -5.763 1.00 0.00 O ATOM 1119 CB LEU A 69 -13.331 -5.721 -5.116 1.00 0.00 C ATOM 1120 CG LEU A 69 -14.612 -6.501 -5.418 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -14.765 -7.668 -4.455 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -15.824 -5.584 -5.344 1.00 0.00 C ATOM 0 H LEU A 69 -11.708 -6.116 -7.202 1.00 0.00 H new ATOM 0 HA LEU A 69 -13.742 -4.095 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.522 -6.435 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.468 -5.187 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.543 -6.898 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.682 -8.211 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.911 -8.338 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.812 -7.292 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.726 -6.155 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.897 -5.157 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.718 -4.781 -6.074 1.00 0.00 H new ATOM 1134 N ASP A 70 -10.799 -4.422 -4.991 1.00 0.00 N ATOM 1135 CA ASP A 70 -9.688 -3.673 -4.414 1.00 0.00 C ATOM 1136 C ASP A 70 -9.076 -2.729 -5.444 1.00 0.00 C ATOM 1137 O ASP A 70 -8.544 -1.674 -5.094 1.00 0.00 O ATOM 1138 CB ASP A 70 -8.621 -4.631 -3.883 1.00 0.00 C ATOM 1139 CG ASP A 70 -9.086 -5.396 -2.660 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -9.246 -4.768 -1.593 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -9.289 -6.624 -2.770 1.00 0.00 O ATOM 0 H ASP A 70 -10.737 -5.432 -4.865 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.074 -3.077 -3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.348 -5.337 -4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.722 -4.067 -3.635 1.00 0.00 H new