USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=12 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= 1.26 F(o=0.78!,f=2.4) USER MOD Set 1.2: A 37 THR OG1 : rot -60:sc= 1.12 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= -0.0853 K(o=-0.085,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 168:sc= -0.244 USER MOD Single : A 25 MET CE :methyl 171:sc= -3.09! (180deg=-3.1!) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.322) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.107 (180deg=-0.513) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.00805 X(o=-0.0081,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= -0.0851 X(o=-0.085,f=0) 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 -5.182 -8.324 -6.691 1.00 0.00 N ATOM 89 CA GLU A 7 -6.352 -8.019 -5.876 1.00 0.00 C ATOM 90 C GLU A 7 -7.427 -9.087 -6.047 1.00 0.00 C ATOM 91 O GLU A 7 -7.206 -10.109 -6.698 1.00 0.00 O ATOM 92 CB GLU A 7 -6.917 -6.646 -6.248 1.00 0.00 C ATOM 93 CG GLU A 7 -5.919 -5.512 -6.083 1.00 0.00 C ATOM 94 CD GLU A 7 -5.345 -5.440 -4.681 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.088 -5.054 -3.755 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.152 -5.769 -4.511 1.00 0.00 O ATOM 0 HA GLU A 7 -6.041 -8.005 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.258 -6.671 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.791 -6.442 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.107 -5.641 -6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.406 -4.567 -6.321 1.00 0.00 H new ATOM 103 N LEU A 8 -8.593 -8.845 -5.457 1.00 0.00 N ATOM 104 CA LEU A 8 -9.704 -9.786 -5.543 1.00 0.00 C ATOM 105 C LEU A 8 -10.900 -9.154 -6.248 1.00 0.00 C ATOM 106 O LEU A 8 -11.210 -7.981 -6.037 1.00 0.00 O ATOM 107 CB LEU A 8 -10.112 -10.253 -4.144 1.00 0.00 C ATOM 108 CG LEU A 8 -9.322 -11.432 -3.574 1.00 0.00 C ATOM 109 CD1 LEU A 8 -8.080 -10.941 -2.848 1.00 0.00 C ATOM 110 CD2 LEU A 8 -10.196 -12.257 -2.641 1.00 0.00 C ATOM 0 H LEU A 8 -8.793 -8.005 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.375 -10.646 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.015 -9.411 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.167 -10.525 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.006 -12.068 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.531 -11.794 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.445 -10.393 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.373 -10.283 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.618 -13.092 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.541 -11.631 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.056 -12.640 -3.191 1.00 0.00 H new ATOM 122 N VAL A 9 -11.569 -9.939 -7.086 1.00 0.00 N ATOM 123 CA VAL A 9 -12.733 -9.458 -7.821 1.00 0.00 C ATOM 124 C VAL A 9 -13.964 -10.303 -7.515 1.00 0.00 C ATOM 125 O VAL A 9 -13.853 -11.482 -7.177 1.00 0.00 O ATOM 126 CB VAL A 9 -12.481 -9.469 -9.341 1.00 0.00 C ATOM 127 CG1 VAL A 9 -11.295 -8.583 -9.692 1.00 0.00 C ATOM 128 CG2 VAL A 9 -12.260 -10.891 -9.833 1.00 0.00 C ATOM 0 H VAL A 9 -11.325 -10.912 -7.273 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.910 -8.433 -7.497 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.363 -9.069 -9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.132 -8.603 -10.770 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.498 -7.560 -9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.404 -8.950 -9.183 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.084 -10.881 -10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.395 -11.321 -9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.143 -11.492 -9.616 1.00 0.00 H new ATOM 138 N LEU A 10 -15.138 -9.692 -7.634 1.00 0.00 N ATOM 139 CA LEU A 10 -16.392 -10.389 -7.371 1.00 0.00 C ATOM 140 C LEU A 10 -17.135 -10.684 -8.670 1.00 0.00 C ATOM 141 O LEU A 10 -17.182 -9.849 -9.573 1.00 0.00 O ATOM 142 CB LEU A 10 -17.277 -9.553 -6.443 1.00 0.00 C ATOM 143 CG LEU A 10 -18.449 -10.288 -5.792 1.00 0.00 C ATOM 144 CD1 LEU A 10 -18.727 -9.729 -4.406 1.00 0.00 C ATOM 145 CD2 LEU A 10 -19.691 -10.191 -6.667 1.00 0.00 C ATOM 0 H LEU A 10 -15.247 -8.716 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.158 -11.336 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.651 -9.138 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.673 -8.712 -7.012 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.181 -11.340 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.564 -10.265 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.843 -9.851 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.974 -8.670 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.515 -10.720 -6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.961 -9.143 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.487 -10.640 -7.639 1.00 0.00 H new ATOM 157 N ALA A 11 -17.715 -11.876 -8.756 1.00 0.00 N ATOM 158 CA ALA A 11 -18.459 -12.280 -9.942 1.00 0.00 C ATOM 159 C ALA A 11 -19.806 -11.569 -10.014 1.00 0.00 C ATOM 160 O ALA A 11 -20.627 -11.678 -9.102 1.00 0.00 O ATOM 161 CB ALA A 11 -18.656 -13.789 -9.954 1.00 0.00 C ATOM 0 H ALA A 11 -17.684 -12.579 -8.018 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.879 -11.993 -10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.213 -14.076 -10.846 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.684 -14.283 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.212 -14.090 -9.066 1.00 0.00 H new ATOM 167 N LEU A 12 -20.028 -10.840 -11.103 1.00 0.00 N ATOM 168 CA LEU A 12 -21.276 -10.110 -11.293 1.00 0.00 C ATOM 169 C LEU A 12 -22.459 -11.068 -11.385 1.00 0.00 C ATOM 170 O LEU A 12 -23.359 -11.043 -10.544 1.00 0.00 O ATOM 171 CB LEU A 12 -21.201 -9.252 -12.558 1.00 0.00 C ATOM 172 CG LEU A 12 -20.137 -8.154 -12.561 1.00 0.00 C ATOM 173 CD1 LEU A 12 -19.838 -7.705 -13.983 1.00 0.00 C ATOM 174 CD2 LEU A 12 -20.586 -6.974 -11.711 1.00 0.00 C ATOM 0 H LEU A 12 -19.360 -10.739 -11.867 1.00 0.00 H new ATOM 0 HA LEU A 12 -21.423 -9.462 -10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -21.019 -9.909 -13.408 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.174 -8.788 -12.716 1.00 0.00 H new ATOM 0 HG LEU A 12 -19.222 -8.560 -12.130 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -19.079 -6.923 -13.966 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -19.473 -8.553 -14.563 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -20.748 -7.317 -14.441 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.817 -6.202 -11.725 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.514 -6.568 -12.113 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.749 -7.305 -10.686 1.00 0.00 H new ATOM 186 N TYR A 13 -22.451 -11.913 -12.409 1.00 0.00 N ATOM 187 CA TYR A 13 -23.524 -12.880 -12.611 1.00 0.00 C ATOM 188 C TYR A 13 -22.992 -14.308 -12.533 1.00 0.00 C ATOM 189 O TYR A 13 -21.803 -14.528 -12.302 1.00 0.00 O ATOM 190 CB TYR A 13 -24.200 -12.649 -13.964 1.00 0.00 C ATOM 191 CG TYR A 13 -24.595 -11.210 -14.205 1.00 0.00 C ATOM 192 CD1 TYR A 13 -25.704 -10.659 -13.574 1.00 0.00 C ATOM 193 CD2 TYR A 13 -23.861 -10.401 -15.063 1.00 0.00 C ATOM 194 CE1 TYR A 13 -26.070 -9.344 -13.792 1.00 0.00 C ATOM 195 CE2 TYR A 13 -24.218 -9.085 -15.286 1.00 0.00 C ATOM 196 CZ TYR A 13 -25.324 -8.562 -14.648 1.00 0.00 C ATOM 197 OH TYR A 13 -25.684 -7.252 -14.868 1.00 0.00 O ATOM 0 H TYR A 13 -21.713 -11.948 -13.113 1.00 0.00 H new ATOM 0 HA TYR A 13 -24.258 -12.741 -11.817 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -23.525 -12.970 -14.757 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -25.089 -13.277 -14.029 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -26.290 -11.269 -12.902 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -22.996 -10.808 -15.565 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -26.935 -8.932 -13.295 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -23.635 -8.470 -15.955 1.00 0.00 H new ATOM 0 HH TYR A 13 -25.054 -6.841 -15.496 1.00 0.00 H new ATOM 207 N ASP A 14 -23.881 -15.275 -12.729 1.00 0.00 N ATOM 208 CA ASP A 14 -23.503 -16.683 -12.684 1.00 0.00 C ATOM 209 C ASP A 14 -23.001 -17.155 -14.045 1.00 0.00 C ATOM 210 O ASP A 14 -23.649 -16.934 -15.068 1.00 0.00 O ATOM 211 CB ASP A 14 -24.691 -17.538 -12.240 1.00 0.00 C ATOM 212 CG ASP A 14 -25.897 -17.366 -13.142 1.00 0.00 C ATOM 213 OD1 ASP A 14 -26.587 -16.332 -13.020 1.00 0.00 O ATOM 214 OD2 ASP A 14 -26.151 -18.265 -13.970 1.00 0.00 O ATOM 0 H ASP A 14 -24.869 -15.110 -12.921 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.695 -16.794 -11.961 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -24.396 -18.587 -12.229 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -24.964 -17.273 -11.219 1.00 0.00 H new ATOM 219 N TYR A 15 -21.842 -17.804 -14.049 1.00 0.00 N ATOM 220 CA TYR A 15 -21.250 -18.304 -15.284 1.00 0.00 C ATOM 221 C TYR A 15 -20.851 -19.770 -15.143 1.00 0.00 C ATOM 222 O TYR A 15 -21.001 -20.364 -14.076 1.00 0.00 O ATOM 223 CB TYR A 15 -20.029 -17.466 -15.665 1.00 0.00 C ATOM 224 CG TYR A 15 -19.838 -17.318 -17.158 1.00 0.00 C ATOM 225 CD1 TYR A 15 -20.762 -16.627 -17.931 1.00 0.00 C ATOM 226 CD2 TYR A 15 -18.732 -17.868 -17.794 1.00 0.00 C ATOM 227 CE1 TYR A 15 -20.592 -16.490 -19.295 1.00 0.00 C ATOM 228 CE2 TYR A 15 -18.553 -17.735 -19.158 1.00 0.00 C ATOM 229 CZ TYR A 15 -19.486 -17.045 -19.904 1.00 0.00 C ATOM 230 OH TYR A 15 -19.312 -16.910 -21.262 1.00 0.00 O ATOM 0 H TYR A 15 -21.294 -17.996 -13.211 1.00 0.00 H new ATOM 0 HA TYR A 15 -21.998 -18.224 -16.073 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -20.125 -16.476 -15.220 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -19.137 -17.923 -15.237 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -21.628 -16.189 -17.458 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -18.000 -18.409 -17.213 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -21.321 -15.951 -19.881 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -17.688 -18.169 -19.637 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.483 -17.358 -21.532 1.00 0.00 H new ATOM 240 N GLN A 16 -20.342 -20.345 -16.227 1.00 0.00 N ATOM 241 CA GLN A 16 -19.921 -21.741 -16.225 1.00 0.00 C ATOM 242 C GLN A 16 -18.696 -21.942 -17.112 1.00 0.00 C ATOM 243 O GLN A 16 -18.339 -21.066 -17.899 1.00 0.00 O ATOM 244 CB GLN A 16 -21.063 -22.640 -16.701 1.00 0.00 C ATOM 245 CG GLN A 16 -21.177 -23.941 -15.922 1.00 0.00 C ATOM 246 CD GLN A 16 -22.590 -24.491 -15.909 1.00 0.00 C ATOM 247 OE1 GLN A 16 -23.519 -23.860 -16.414 1.00 0.00 O ATOM 248 NE2 GLN A 16 -22.760 -25.673 -15.329 1.00 0.00 N ATOM 0 H GLN A 16 -20.211 -19.866 -17.118 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.655 -22.013 -15.203 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -22.003 -22.094 -16.620 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.918 -22.870 -17.757 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -20.507 -24.682 -16.359 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.846 -23.776 -14.897 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.962 -26.161 -14.923 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.689 -26.093 -15.289 1.00 0.00 H new ATOM 257 N GLU A 17 -18.058 -23.100 -16.978 1.00 0.00 N ATOM 258 CA GLU A 17 -16.873 -23.414 -17.767 1.00 0.00 C ATOM 259 C GLU A 17 -17.243 -23.675 -19.224 1.00 0.00 C ATOM 260 O GLU A 17 -17.337 -24.824 -19.657 1.00 0.00 O ATOM 261 CB GLU A 17 -16.154 -24.633 -17.185 1.00 0.00 C ATOM 262 CG GLU A 17 -17.066 -25.828 -16.962 1.00 0.00 C ATOM 263 CD GLU A 17 -17.061 -26.305 -15.522 1.00 0.00 C ATOM 264 OE1 GLU A 17 -16.003 -26.777 -15.057 1.00 0.00 O ATOM 265 OE2 GLU A 17 -18.116 -26.205 -14.862 1.00 0.00 O ATOM 0 H GLU A 17 -18.342 -23.836 -16.331 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.204 -22.554 -17.729 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.346 -24.923 -17.857 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.695 -24.355 -16.236 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.083 -25.563 -17.249 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.754 -26.645 -17.613 1.00 0.00 H new ATOM 272 N LYS A 18 -17.453 -22.601 -19.977 1.00 0.00 N ATOM 273 CA LYS A 18 -17.812 -22.711 -21.386 1.00 0.00 C ATOM 274 C LYS A 18 -16.624 -23.190 -22.214 1.00 0.00 C ATOM 275 O LYS A 18 -16.792 -23.686 -23.328 1.00 0.00 O ATOM 276 CB LYS A 18 -18.306 -21.363 -21.915 1.00 0.00 C ATOM 277 CG LYS A 18 -19.122 -21.472 -23.191 1.00 0.00 C ATOM 278 CD LYS A 18 -20.596 -21.693 -22.893 1.00 0.00 C ATOM 279 CE LYS A 18 -21.259 -20.421 -22.388 1.00 0.00 C ATOM 280 NZ LYS A 18 -21.570 -19.478 -23.499 1.00 0.00 N ATOM 0 H LYS A 18 -17.381 -21.643 -19.635 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.614 -23.444 -21.475 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.911 -20.881 -21.147 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.447 -20.717 -22.097 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -19.001 -20.563 -23.780 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.745 -22.296 -23.796 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -21.103 -22.036 -23.795 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.704 -22.481 -22.148 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -22.178 -20.676 -21.860 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -20.603 -19.931 -21.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.021 -18.624 -23.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.690 -19.215 -23.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.216 -19.936 -24.173 1.00 0.00 H new ATOM 294 N SER A 19 -15.424 -23.039 -21.662 1.00 0.00 N ATOM 295 CA SER A 19 -14.208 -23.454 -22.352 1.00 0.00 C ATOM 296 C SER A 19 -13.308 -24.264 -21.424 1.00 0.00 C ATOM 297 O SER A 19 -13.438 -24.226 -20.200 1.00 0.00 O ATOM 298 CB SER A 19 -13.452 -22.233 -22.877 1.00 0.00 C ATOM 299 OG SER A 19 -13.776 -21.976 -24.232 1.00 0.00 O ATOM 0 H SER A 19 -15.268 -22.633 -20.740 1.00 0.00 H new ATOM 0 HA SER A 19 -14.494 -24.084 -23.194 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.696 -21.361 -22.270 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.379 -22.397 -22.781 1.00 0.00 H new ATOM 0 HG SER A 19 -13.281 -21.190 -24.543 1.00 0.00 H new ATOM 305 N PRO A 20 -12.370 -25.017 -22.019 1.00 0.00 N ATOM 306 CA PRO A 20 -11.429 -25.851 -21.267 1.00 0.00 C ATOM 307 C PRO A 20 -10.410 -25.020 -20.493 1.00 0.00 C ATOM 308 O PRO A 20 -9.741 -25.525 -19.591 1.00 0.00 O ATOM 309 CB PRO A 20 -10.733 -26.671 -22.355 1.00 0.00 C ATOM 310 CG PRO A 20 -10.848 -25.842 -23.587 1.00 0.00 C ATOM 311 CD PRO A 20 -12.158 -25.111 -23.473 1.00 0.00 C ATOM 0 HA PRO A 20 -11.933 -26.457 -20.515 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.690 -26.860 -22.101 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.211 -27.642 -22.485 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.016 -25.142 -23.666 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.825 -26.466 -24.481 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.110 -24.126 -23.937 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.966 -25.655 -23.963 1.00 0.00 H new ATOM 319 N ARG A 21 -10.298 -23.745 -20.851 1.00 0.00 N ATOM 320 CA ARG A 21 -9.361 -22.846 -20.190 1.00 0.00 C ATOM 321 C ARG A 21 -10.086 -21.928 -19.210 1.00 0.00 C ATOM 322 O ARG A 21 -9.460 -21.276 -18.375 1.00 0.00 O ATOM 323 CB ARG A 21 -8.606 -22.010 -21.225 1.00 0.00 C ATOM 324 CG ARG A 21 -9.512 -21.353 -22.254 1.00 0.00 C ATOM 325 CD ARG A 21 -8.920 -20.048 -22.764 1.00 0.00 C ATOM 326 NE ARG A 21 -7.819 -20.274 -23.696 1.00 0.00 N ATOM 327 CZ ARG A 21 -6.996 -19.315 -24.108 1.00 0.00 C ATOM 328 NH1 ARG A 21 -7.150 -18.073 -23.672 1.00 0.00 N ATOM 329 NH2 ARG A 21 -6.018 -19.599 -24.958 1.00 0.00 N ATOM 0 H ARG A 21 -10.845 -23.312 -21.595 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.647 -23.453 -19.632 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.035 -21.237 -20.710 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.887 -22.647 -21.740 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.669 -22.034 -23.090 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.489 -21.162 -21.811 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.698 -19.465 -23.257 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.565 -19.457 -21.920 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.673 -21.219 -24.050 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.901 -17.851 -23.019 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.517 -17.339 -23.990 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.897 -20.554 -25.296 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.387 -18.863 -25.274 1.00 0.00 H new ATOM 343 N GLU A 22 -11.410 -21.881 -19.321 1.00 0.00 N ATOM 344 CA GLU A 22 -12.220 -21.042 -18.446 1.00 0.00 C ATOM 345 C GLU A 22 -12.772 -21.849 -17.275 1.00 0.00 C ATOM 346 O GLU A 22 -12.874 -23.074 -17.344 1.00 0.00 O ATOM 347 CB GLU A 22 -13.371 -20.410 -19.231 1.00 0.00 C ATOM 348 CG GLU A 22 -13.018 -19.072 -19.859 1.00 0.00 C ATOM 349 CD GLU A 22 -12.053 -19.209 -21.020 1.00 0.00 C ATOM 350 OE1 GLU A 22 -12.523 -19.408 -22.160 1.00 0.00 O ATOM 351 OE2 GLU A 22 -10.829 -19.117 -20.790 1.00 0.00 O ATOM 0 H GLU A 22 -11.944 -22.414 -20.008 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.582 -20.252 -18.051 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.685 -21.098 -20.016 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.223 -20.275 -18.565 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.930 -18.585 -20.205 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.579 -18.424 -19.101 1.00 0.00 H new ATOM 358 N VAL A 23 -13.127 -21.154 -16.199 1.00 0.00 N ATOM 359 CA VAL A 23 -13.669 -21.805 -15.012 1.00 0.00 C ATOM 360 C VAL A 23 -15.094 -21.342 -14.734 1.00 0.00 C ATOM 361 O VAL A 23 -15.610 -20.446 -15.403 1.00 0.00 O ATOM 362 CB VAL A 23 -12.799 -21.526 -13.772 1.00 0.00 C ATOM 363 CG1 VAL A 23 -11.628 -22.496 -13.712 1.00 0.00 C ATOM 364 CG2 VAL A 23 -12.309 -20.086 -13.778 1.00 0.00 C ATOM 0 H VAL A 23 -13.049 -20.140 -16.125 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.671 -22.877 -15.212 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.409 -21.674 -12.881 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.025 -22.284 -12.829 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.004 -23.518 -13.657 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.015 -22.382 -14.606 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.696 -19.907 -12.895 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.715 -19.908 -14.674 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.164 -19.411 -13.769 1.00 0.00 H new ATOM 374 N THR A 24 -15.728 -21.958 -13.740 1.00 0.00 N ATOM 375 CA THR A 24 -17.094 -21.610 -13.373 1.00 0.00 C ATOM 376 C THR A 24 -17.119 -20.457 -12.376 1.00 0.00 C ATOM 377 O THR A 24 -16.249 -20.353 -11.512 1.00 0.00 O ATOM 378 CB THR A 24 -17.837 -22.814 -12.766 1.00 0.00 C ATOM 379 OG1 THR A 24 -17.891 -23.886 -13.714 1.00 0.00 O ATOM 380 CG2 THR A 24 -19.249 -22.427 -12.351 1.00 0.00 C ATOM 0 H THR A 24 -15.316 -22.701 -13.175 1.00 0.00 H new ATOM 0 HA THR A 24 -17.599 -21.305 -14.290 1.00 0.00 H new ATOM 0 HB THR A 24 -17.291 -23.139 -11.880 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.186 -24.705 -13.265 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.754 -23.294 -11.925 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.204 -21.631 -11.607 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.802 -22.078 -13.223 1.00 0.00 H new ATOM 388 N MET A 25 -18.121 -19.593 -12.502 1.00 0.00 N ATOM 389 CA MET A 25 -18.260 -18.448 -11.609 1.00 0.00 C ATOM 390 C MET A 25 -19.671 -18.373 -11.035 1.00 0.00 C ATOM 391 O MET A 25 -20.618 -18.904 -11.617 1.00 0.00 O ATOM 392 CB MET A 25 -17.929 -17.152 -12.352 1.00 0.00 C ATOM 393 CG MET A 25 -16.458 -16.776 -12.293 1.00 0.00 C ATOM 394 SD MET A 25 -16.053 -15.780 -10.846 1.00 0.00 S ATOM 395 CE MET A 25 -15.818 -14.171 -11.597 1.00 0.00 C ATOM 0 H MET A 25 -18.848 -19.664 -13.213 1.00 0.00 H new ATOM 0 HA MET A 25 -17.559 -18.575 -10.784 1.00 0.00 H new ATOM 0 HB2 MET A 25 -18.228 -17.255 -13.395 1.00 0.00 H new ATOM 0 HB3 MET A 25 -18.520 -16.340 -11.930 1.00 0.00 H new ATOM 0 HG2 MET A 25 -15.855 -17.684 -12.285 1.00 0.00 H new ATOM 0 HG3 MET A 25 -16.191 -16.225 -13.195 1.00 0.00 H new ATOM 0 HE1 MET A 25 -15.720 -13.416 -10.817 1.00 0.00 H new ATOM 0 HE2 MET A 25 -14.915 -14.183 -12.207 1.00 0.00 H new ATOM 0 HE3 MET A 25 -16.677 -13.934 -12.225 1.00 0.00 H new ATOM 405 N LYS A 26 -19.805 -17.711 -9.891 1.00 0.00 N ATOM 406 CA LYS A 26 -21.101 -17.566 -9.239 1.00 0.00 C ATOM 407 C LYS A 26 -21.305 -16.137 -8.746 1.00 0.00 C ATOM 408 O LYS A 26 -20.407 -15.540 -8.151 1.00 0.00 O ATOM 409 CB LYS A 26 -21.217 -18.543 -8.066 1.00 0.00 C ATOM 410 CG LYS A 26 -22.642 -18.982 -7.779 1.00 0.00 C ATOM 411 CD LYS A 26 -22.798 -19.472 -6.349 1.00 0.00 C ATOM 412 CE LYS A 26 -22.421 -20.939 -6.219 1.00 0.00 C ATOM 413 NZ LYS A 26 -20.959 -21.119 -6.000 1.00 0.00 N ATOM 0 H LYS A 26 -19.032 -17.266 -9.396 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.876 -17.793 -9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.610 -19.424 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.803 -18.076 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -23.323 -18.149 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -22.925 -19.776 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.171 -18.874 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.829 -19.330 -6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -22.970 -21.383 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -22.721 -21.472 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -20.787 -22.036 -5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.465 -21.092 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -20.602 -20.355 -5.392 1.00 0.00 H new ATOM 427 N LYS A 27 -22.491 -15.593 -8.996 1.00 0.00 N ATOM 428 CA LYS A 27 -22.814 -14.235 -8.575 1.00 0.00 C ATOM 429 C LYS A 27 -22.553 -14.050 -7.084 1.00 0.00 C ATOM 430 O LYS A 27 -23.208 -14.671 -6.248 1.00 0.00 O ATOM 431 CB LYS A 27 -24.277 -13.916 -8.891 1.00 0.00 C ATOM 432 CG LYS A 27 -24.756 -12.604 -8.294 1.00 0.00 C ATOM 433 CD LYS A 27 -26.073 -12.160 -8.909 1.00 0.00 C ATOM 434 CE LYS A 27 -27.261 -12.784 -8.193 1.00 0.00 C ATOM 435 NZ LYS A 27 -27.378 -12.303 -6.788 1.00 0.00 N ATOM 0 H LYS A 27 -23.245 -16.072 -9.488 1.00 0.00 H new ATOM 0 HA LYS A 27 -22.171 -13.548 -9.126 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -24.407 -13.882 -9.973 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.905 -14.726 -8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -24.876 -12.716 -7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.001 -11.834 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.149 -11.074 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.095 -12.437 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.177 -12.548 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.159 -13.869 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -28.366 -12.387 -6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.769 -12.878 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -27.081 -11.308 -6.736 1.00 0.00 H new ATOM 449 N GLY A 28 -21.592 -13.191 -6.757 1.00 0.00 N ATOM 450 CA GLY A 28 -21.263 -12.940 -5.367 1.00 0.00 C ATOM 451 C GLY A 28 -20.058 -13.734 -4.903 1.00 0.00 C ATOM 452 O GLY A 28 -19.760 -13.783 -3.710 1.00 0.00 O ATOM 0 H GLY A 28 -21.036 -12.665 -7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.068 -11.876 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.121 -13.190 -4.743 1.00 0.00 H new ATOM 456 N ASP A 29 -19.364 -14.359 -5.848 1.00 0.00 N ATOM 457 CA ASP A 29 -18.185 -15.156 -5.530 1.00 0.00 C ATOM 458 C ASP A 29 -16.913 -14.327 -5.678 1.00 0.00 C ATOM 459 O ASP A 29 -16.688 -13.697 -6.712 1.00 0.00 O ATOM 460 CB ASP A 29 -18.115 -16.386 -6.437 1.00 0.00 C ATOM 461 CG ASP A 29 -17.032 -17.358 -6.011 1.00 0.00 C ATOM 462 OD1 ASP A 29 -16.548 -17.242 -4.866 1.00 0.00 O ATOM 463 OD2 ASP A 29 -16.669 -18.234 -6.823 1.00 0.00 O ATOM 0 H ASP A 29 -19.598 -14.329 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.266 -15.483 -4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.079 -16.895 -6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.930 -16.067 -7.463 1.00 0.00 H new ATOM 468 N ILE A 30 -16.086 -14.331 -4.638 1.00 0.00 N ATOM 469 CA ILE A 30 -14.838 -13.579 -4.652 1.00 0.00 C ATOM 470 C ILE A 30 -13.682 -14.443 -5.147 1.00 0.00 C ATOM 471 O ILE A 30 -13.482 -15.562 -4.675 1.00 0.00 O ATOM 472 CB ILE A 30 -14.493 -13.033 -3.254 1.00 0.00 C ATOM 473 CG1 ILE A 30 -15.711 -12.342 -2.638 1.00 0.00 C ATOM 474 CG2 ILE A 30 -13.317 -12.072 -3.336 1.00 0.00 C ATOM 475 CD1 ILE A 30 -15.457 -11.792 -1.252 1.00 0.00 C ATOM 0 H ILE A 30 -16.258 -14.847 -3.775 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.982 -12.741 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.210 -13.868 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -16.026 -11.528 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.537 -13.052 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.085 -11.695 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.448 -12.594 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.573 -11.238 -3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.363 -11.316 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.172 -12.605 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.653 -11.058 -1.294 1.00 0.00 H new ATOM 487 N LEU A 31 -12.923 -13.914 -6.101 1.00 0.00 N ATOM 488 CA LEU A 31 -11.785 -14.636 -6.660 1.00 0.00 C ATOM 489 C LEU A 31 -10.529 -13.769 -6.643 1.00 0.00 C ATOM 490 O LEU A 31 -10.597 -12.564 -6.400 1.00 0.00 O ATOM 491 CB LEU A 31 -12.091 -15.081 -8.091 1.00 0.00 C ATOM 492 CG LEU A 31 -12.953 -16.336 -8.233 1.00 0.00 C ATOM 493 CD1 LEU A 31 -14.351 -16.088 -7.687 1.00 0.00 C ATOM 494 CD2 LEU A 31 -13.018 -16.776 -9.689 1.00 0.00 C ATOM 0 H LEU A 31 -13.075 -12.989 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.606 -15.516 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.591 -14.261 -8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.146 -15.253 -8.607 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.495 -17.136 -7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.950 -16.992 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -14.287 -15.820 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.819 -15.274 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.635 -17.670 -9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.453 -15.978 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.012 -16.995 -10.048 1.00 0.00 H new ATOM 506 N THR A 32 -9.384 -14.391 -6.903 1.00 0.00 N ATOM 507 CA THR A 32 -8.113 -13.677 -6.919 1.00 0.00 C ATOM 508 C THR A 32 -7.677 -13.362 -8.345 1.00 0.00 C ATOM 509 O THR A 32 -7.596 -14.253 -9.192 1.00 0.00 O ATOM 510 CB THR A 32 -7.004 -14.489 -6.223 1.00 0.00 C ATOM 511 OG1 THR A 32 -7.381 -14.776 -4.872 1.00 0.00 O ATOM 512 CG2 THR A 32 -5.687 -13.728 -6.237 1.00 0.00 C ATOM 0 H THR A 32 -9.310 -15.388 -7.105 1.00 0.00 H new ATOM 0 HA THR A 32 -8.267 -12.745 -6.375 1.00 0.00 H new ATOM 0 HB THR A 32 -6.871 -15.423 -6.768 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.672 -15.294 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.919 -14.321 -5.740 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.388 -13.537 -7.268 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.809 -12.780 -5.713 1.00 0.00 H new ATOM 520 N LEU A 33 -7.396 -12.090 -8.605 1.00 0.00 N ATOM 521 CA LEU A 33 -6.967 -11.656 -9.930 1.00 0.00 C ATOM 522 C LEU A 33 -5.562 -12.163 -10.240 1.00 0.00 C ATOM 523 O LEU A 33 -4.677 -12.134 -9.384 1.00 0.00 O ATOM 524 CB LEU A 33 -7.004 -10.130 -10.026 1.00 0.00 C ATOM 525 CG LEU A 33 -7.349 -9.552 -11.399 1.00 0.00 C ATOM 526 CD1 LEU A 33 -7.570 -8.050 -11.306 1.00 0.00 C ATOM 527 CD2 LEU A 33 -6.251 -9.871 -12.403 1.00 0.00 C ATOM 0 H LEU A 33 -7.458 -11.341 -7.916 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.655 -12.076 -10.663 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.731 -9.758 -9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.030 -9.743 -9.725 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.274 -10.013 -11.744 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.814 -7.656 -12.293 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.392 -7.845 -10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.662 -7.571 -10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.513 -9.452 -13.374 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.310 -9.438 -12.063 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.142 -10.952 -12.492 1.00 0.00 H new ATOM 539 N LEU A 34 -5.363 -12.624 -11.470 1.00 0.00 N ATOM 540 CA LEU A 34 -4.064 -13.135 -11.895 1.00 0.00 C ATOM 541 C LEU A 34 -3.591 -12.432 -13.163 1.00 0.00 C ATOM 542 O LEU A 34 -2.436 -12.022 -13.263 1.00 0.00 O ATOM 543 CB LEU A 34 -4.141 -14.644 -12.132 1.00 0.00 C ATOM 544 CG LEU A 34 -3.776 -15.530 -10.941 1.00 0.00 C ATOM 545 CD1 LEU A 34 -4.551 -15.106 -9.703 1.00 0.00 C ATOM 546 CD2 LEU A 34 -4.041 -16.994 -11.263 1.00 0.00 C ATOM 0 H LEU A 34 -6.084 -12.655 -12.191 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.344 -12.935 -11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.155 -14.891 -12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.481 -14.895 -12.962 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.712 -15.411 -10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.278 -15.748 -8.865 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.311 -14.071 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.620 -15.195 -9.895 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.775 -17.609 -10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.097 -17.130 -11.494 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.440 -17.292 -12.122 1.00 0.00 H new ATOM 558 N ASN A 35 -4.493 -12.297 -14.130 1.00 0.00 N ATOM 559 CA ASN A 35 -4.169 -11.642 -15.392 1.00 0.00 C ATOM 560 C ASN A 35 -5.257 -10.647 -15.784 1.00 0.00 C ATOM 561 O ASN A 35 -6.432 -11.002 -15.878 1.00 0.00 O ATOM 562 CB ASN A 35 -3.990 -12.683 -16.499 1.00 0.00 C ATOM 563 CG ASN A 35 -3.127 -12.173 -17.637 1.00 0.00 C ATOM 564 OD1 ASN A 35 -3.715 -11.360 -18.507 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -1.946 -12.507 -17.733 1.00 0.00 N flip ATOM 0 H ASN A 35 -5.454 -12.633 -14.064 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.234 -11.097 -15.261 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.539 -13.582 -16.079 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.968 -12.968 -16.887 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.535 -13.134 -17.041 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.378 -12.157 -18.504 1.00 0.00 H new ATOM 572 N SER A 36 -4.857 -9.400 -16.013 1.00 0.00 N ATOM 573 CA SER A 36 -5.798 -8.353 -16.392 1.00 0.00 C ATOM 574 C SER A 36 -5.331 -7.634 -17.655 1.00 0.00 C ATOM 575 O SER A 36 -5.654 -6.467 -17.875 1.00 0.00 O ATOM 576 CB SER A 36 -5.962 -7.348 -15.251 1.00 0.00 C ATOM 577 OG SER A 36 -4.746 -7.177 -14.543 1.00 0.00 O ATOM 0 H SER A 36 -3.888 -9.091 -15.943 1.00 0.00 H new ATOM 0 HA SER A 36 -6.761 -8.821 -16.596 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.291 -6.389 -15.651 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.739 -7.692 -14.568 1.00 0.00 H new ATOM 0 HG SER A 36 -4.877 -6.529 -13.820 1.00 0.00 H new ATOM 583 N THR A 37 -4.567 -8.341 -18.482 1.00 0.00 N ATOM 584 CA THR A 37 -4.054 -7.772 -19.722 1.00 0.00 C ATOM 585 C THR A 37 -4.960 -8.112 -20.900 1.00 0.00 C ATOM 586 O THR A 37 -4.486 -8.441 -21.986 1.00 0.00 O ATOM 587 CB THR A 37 -2.630 -8.276 -20.024 1.00 0.00 C ATOM 588 OG1 THR A 37 -2.667 -9.657 -20.398 1.00 0.00 O ATOM 589 CG2 THR A 37 -1.725 -8.097 -18.814 1.00 0.00 C ATOM 0 H THR A 37 -4.290 -9.308 -18.315 1.00 0.00 H new ATOM 0 HA THR A 37 -4.029 -6.691 -19.586 1.00 0.00 H new ATOM 0 HB THR A 37 -2.228 -7.688 -20.849 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.052 -10.184 -19.667 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.725 -8.460 -19.051 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.675 -7.041 -18.550 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.126 -8.662 -17.973 1.00 0.00 H new ATOM 597 N ASN A 38 -6.268 -8.028 -20.677 1.00 0.00 N ATOM 598 CA ASN A 38 -7.242 -8.327 -21.721 1.00 0.00 C ATOM 599 C ASN A 38 -8.645 -7.911 -21.291 1.00 0.00 C ATOM 600 O ASN A 38 -9.325 -8.636 -20.564 1.00 0.00 O ATOM 601 CB ASN A 38 -7.220 -9.820 -22.056 1.00 0.00 C ATOM 602 CG ASN A 38 -6.950 -10.079 -23.525 1.00 0.00 C ATOM 603 OD1 ASN A 38 -5.975 -10.741 -23.881 1.00 0.00 O ATOM 604 ND2 ASN A 38 -7.815 -9.556 -24.387 1.00 0.00 N ATOM 0 H ASN A 38 -6.678 -7.756 -19.783 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.970 -7.758 -22.610 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.455 -10.313 -21.456 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.176 -10.265 -21.781 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.685 -9.697 -25.389 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.609 -9.014 -24.047 1.00 0.00 H new ATOM 611 N LYS A 39 -9.074 -6.738 -21.745 1.00 0.00 N ATOM 612 CA LYS A 39 -10.397 -6.225 -21.410 1.00 0.00 C ATOM 613 C LYS A 39 -11.474 -7.266 -21.698 1.00 0.00 C ATOM 614 O LYS A 39 -12.523 -7.283 -21.054 1.00 0.00 O ATOM 615 CB LYS A 39 -10.685 -4.946 -22.200 1.00 0.00 C ATOM 616 CG LYS A 39 -10.331 -5.048 -23.673 1.00 0.00 C ATOM 617 CD LYS A 39 -10.989 -3.943 -24.483 1.00 0.00 C ATOM 618 CE LYS A 39 -12.479 -4.195 -24.660 1.00 0.00 C ATOM 619 NZ LYS A 39 -13.235 -2.927 -24.860 1.00 0.00 N ATOM 0 H LYS A 39 -8.524 -6.125 -22.346 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.412 -5.998 -20.344 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.743 -4.701 -22.105 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -10.126 -4.122 -21.757 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.249 -4.993 -23.793 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.645 -6.018 -24.057 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.837 -2.985 -23.985 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.512 -3.873 -25.461 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.637 -4.851 -25.516 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.866 -4.715 -23.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.246 -3.140 -24.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.105 -2.311 -24.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.883 -2.443 -25.711 1.00 0.00 H new ATOM 633 N ASP A 40 -11.206 -8.134 -22.667 1.00 0.00 N ATOM 634 CA ASP A 40 -12.152 -9.181 -23.038 1.00 0.00 C ATOM 635 C ASP A 40 -12.307 -10.197 -21.911 1.00 0.00 C ATOM 636 O ASP A 40 -13.350 -10.262 -21.260 1.00 0.00 O ATOM 637 CB ASP A 40 -11.691 -9.884 -24.316 1.00 0.00 C ATOM 638 CG ASP A 40 -11.649 -8.949 -25.508 1.00 0.00 C ATOM 639 OD1 ASP A 40 -12.649 -8.239 -25.741 1.00 0.00 O ATOM 640 OD2 ASP A 40 -10.616 -8.928 -26.210 1.00 0.00 O ATOM 0 H ASP A 40 -10.342 -8.134 -23.210 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.121 -8.715 -23.218 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.700 -10.309 -24.156 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.363 -10.715 -24.533 1.00 0.00 H new ATOM 645 N TRP A 41 -11.264 -10.989 -21.687 1.00 0.00 N ATOM 646 CA TRP A 41 -11.286 -12.003 -20.639 1.00 0.00 C ATOM 647 C TRP A 41 -10.187 -11.749 -19.613 1.00 0.00 C ATOM 648 O TRP A 41 -9.159 -11.149 -19.927 1.00 0.00 O ATOM 649 CB TRP A 41 -11.120 -13.397 -21.247 1.00 0.00 C ATOM 650 CG TRP A 41 -12.045 -13.657 -22.398 1.00 0.00 C ATOM 651 CD1 TRP A 41 -11.910 -13.197 -23.677 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.246 -14.435 -22.373 1.00 0.00 C ATOM 653 NE1 TRP A 41 -12.956 -13.643 -24.449 1.00 0.00 N ATOM 654 CE2 TRP A 41 -13.789 -14.405 -23.673 1.00 0.00 C ATOM 655 CE3 TRP A 41 -13.916 -15.156 -21.381 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.968 -15.067 -24.002 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -15.086 -15.812 -21.709 1.00 0.00 C ATOM 658 CH2 TRP A 41 -15.603 -15.765 -23.011 1.00 0.00 C ATOM 0 H TRP A 41 -10.393 -10.948 -22.217 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.250 -11.947 -20.133 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -10.090 -13.519 -21.583 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -11.294 -14.146 -20.474 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.101 -12.575 -24.030 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -13.090 -13.440 -25.439 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -13.525 -15.199 -20.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -15.368 -15.031 -25.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.612 -16.371 -20.949 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -16.520 -16.290 -23.236 1.00 0.00 H new ATOM 669 N TRP A 42 -10.411 -12.208 -18.388 1.00 0.00 N ATOM 670 CA TRP A 42 -9.438 -12.030 -17.315 1.00 0.00 C ATOM 671 C TRP A 42 -9.134 -13.357 -16.630 1.00 0.00 C ATOM 672 O TRP A 42 -10.008 -14.214 -16.497 1.00 0.00 O ATOM 673 CB TRP A 42 -9.957 -11.020 -16.291 1.00 0.00 C ATOM 674 CG TRP A 42 -9.866 -9.599 -16.758 1.00 0.00 C ATOM 675 CD1 TRP A 42 -9.055 -9.111 -17.743 1.00 0.00 C ATOM 676 CD2 TRP A 42 -10.610 -8.483 -16.258 1.00 0.00 C ATOM 677 NE1 TRP A 42 -9.251 -7.758 -17.885 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.200 -7.349 -16.986 1.00 0.00 C ATOM 679 CE3 TRP A 42 -11.584 -8.331 -15.267 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -10.731 -6.083 -16.753 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -12.109 -7.074 -15.037 1.00 0.00 C ATOM 682 CH2 TRP A 42 -11.683 -5.963 -15.777 1.00 0.00 C ATOM 0 H TRP A 42 -11.257 -12.706 -18.112 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.515 -11.650 -17.754 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.996 -11.252 -16.057 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.390 -11.128 -15.366 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.362 -9.701 -18.324 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.768 -7.156 -18.552 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.920 -9.181 -14.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.403 -5.226 -17.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.861 -6.945 -14.273 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.114 -4.994 -15.573 1.00 0.00 H new ATOM 693 N LYS A 43 -7.889 -13.523 -16.197 1.00 0.00 N ATOM 694 CA LYS A 43 -7.468 -14.746 -15.523 1.00 0.00 C ATOM 695 C LYS A 43 -7.616 -14.612 -14.011 1.00 0.00 C ATOM 696 O LYS A 43 -6.945 -13.795 -13.381 1.00 0.00 O ATOM 697 CB LYS A 43 -6.017 -15.075 -15.878 1.00 0.00 C ATOM 698 CG LYS A 43 -5.675 -16.548 -15.737 1.00 0.00 C ATOM 699 CD LYS A 43 -4.244 -16.831 -16.161 1.00 0.00 C ATOM 700 CE LYS A 43 -3.256 -16.482 -15.058 1.00 0.00 C ATOM 701 NZ LYS A 43 -1.858 -16.831 -15.435 1.00 0.00 N ATOM 0 H LYS A 43 -7.153 -12.825 -16.301 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.111 -15.558 -15.862 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.823 -14.762 -16.904 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.354 -14.494 -15.237 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.817 -16.858 -14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.359 -17.141 -16.344 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.142 -17.884 -16.422 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.009 -16.257 -17.057 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.318 -15.416 -14.839 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.529 -17.011 -14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.215 -16.578 -14.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.793 -17.852 -15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.588 -16.307 -16.292 1.00 0.00 H new ATOM 715 N VAL A 44 -8.497 -15.422 -13.433 1.00 0.00 N ATOM 716 CA VAL A 44 -8.731 -15.396 -11.994 1.00 0.00 C ATOM 717 C VAL A 44 -8.310 -16.710 -11.345 1.00 0.00 C ATOM 718 O VAL A 44 -7.964 -17.670 -12.033 1.00 0.00 O ATOM 719 CB VAL A 44 -10.213 -15.128 -11.670 1.00 0.00 C ATOM 720 CG1 VAL A 44 -10.657 -13.800 -12.263 1.00 0.00 C ATOM 721 CG2 VAL A 44 -11.083 -16.267 -12.180 1.00 0.00 C ATOM 0 H VAL A 44 -9.061 -16.105 -13.939 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.126 -14.584 -11.590 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.327 -15.071 -10.587 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.706 -13.628 -12.024 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.053 -12.995 -11.845 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.531 -13.824 -13.345 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.127 -16.062 -11.943 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.967 -16.358 -13.260 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.779 -17.199 -11.703 1.00 0.00 H new ATOM 731 N GLU A 45 -8.342 -16.745 -10.017 1.00 0.00 N ATOM 732 CA GLU A 45 -7.963 -17.942 -9.275 1.00 0.00 C ATOM 733 C GLU A 45 -8.981 -18.248 -8.180 1.00 0.00 C ATOM 734 O GLU A 45 -9.434 -17.351 -7.469 1.00 0.00 O ATOM 735 CB GLU A 45 -6.573 -17.769 -8.660 1.00 0.00 C ATOM 736 CG GLU A 45 -6.197 -18.873 -7.686 1.00 0.00 C ATOM 737 CD GLU A 45 -6.397 -18.468 -6.239 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.516 -17.773 -5.691 1.00 0.00 O ATOM 739 OE2 GLU A 45 -7.434 -18.845 -5.655 1.00 0.00 O ATOM 0 H GLU A 45 -8.626 -15.959 -9.433 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.942 -18.779 -9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.833 -17.734 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.530 -16.810 -8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.796 -19.759 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.154 -19.149 -7.841 1.00 0.00 H new ATOM 746 N VAL A 46 -9.336 -19.523 -8.050 1.00 0.00 N ATOM 747 CA VAL A 46 -10.300 -19.949 -7.042 1.00 0.00 C ATOM 748 C VAL A 46 -9.667 -20.922 -6.054 1.00 0.00 C ATOM 749 O VAL A 46 -8.497 -21.283 -6.183 1.00 0.00 O ATOM 750 CB VAL A 46 -11.529 -20.616 -7.687 1.00 0.00 C ATOM 751 CG1 VAL A 46 -12.160 -19.692 -8.717 1.00 0.00 C ATOM 752 CG2 VAL A 46 -11.143 -21.946 -8.317 1.00 0.00 C ATOM 0 H VAL A 46 -8.971 -20.278 -8.630 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.620 -19.053 -6.511 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.267 -20.809 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.027 -20.181 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.474 -18.767 -8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.432 -19.465 -9.496 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.023 -22.404 -8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.387 -21.779 -9.084 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.742 -22.609 -7.550 1.00 0.00 H new ATOM 940 N GLN A 58 -6.385 -22.207 -10.947 1.00 0.00 N ATOM 941 CA GLN A 58 -6.429 -21.045 -11.826 1.00 0.00 C ATOM 942 C GLN A 58 -7.372 -21.286 -13.001 1.00 0.00 C ATOM 943 O GLN A 58 -7.571 -22.423 -13.426 1.00 0.00 O ATOM 944 CB GLN A 58 -5.027 -20.715 -12.342 1.00 0.00 C ATOM 945 CG GLN A 58 -4.436 -21.797 -13.232 1.00 0.00 C ATOM 946 CD GLN A 58 -2.953 -21.605 -13.479 1.00 0.00 C ATOM 947 OE1 GLN A 58 -2.165 -22.543 -13.359 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.564 -20.384 -13.827 1.00 0.00 N ATOM 0 HA GLN A 58 -6.805 -20.200 -11.249 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.065 -19.779 -12.899 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.365 -20.554 -11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.600 -22.771 -12.771 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.961 -21.804 -14.187 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.251 -19.635 -13.915 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.578 -20.195 -14.006 1.00 0.00 H new ATOM 957 N GLY A 59 -7.950 -20.207 -13.520 1.00 0.00 N ATOM 958 CA GLY A 59 -8.866 -20.323 -14.640 1.00 0.00 C ATOM 959 C GLY A 59 -9.264 -18.975 -15.205 1.00 0.00 C ATOM 960 O GLY A 59 -9.335 -17.984 -14.477 1.00 0.00 O ATOM 0 H GLY A 59 -7.800 -19.255 -13.185 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.401 -20.920 -15.425 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.760 -20.858 -14.320 1.00 0.00 H new ATOM 964 N PHE A 60 -9.524 -18.934 -16.508 1.00 0.00 N ATOM 965 CA PHE A 60 -9.915 -17.696 -17.172 1.00 0.00 C ATOM 966 C PHE A 60 -11.422 -17.481 -17.078 1.00 0.00 C ATOM 967 O PHE A 60 -12.182 -18.421 -16.844 1.00 0.00 O ATOM 968 CB PHE A 60 -9.482 -17.720 -18.639 1.00 0.00 C ATOM 969 CG PHE A 60 -8.155 -17.061 -18.884 1.00 0.00 C ATOM 970 CD1 PHE A 60 -8.081 -15.709 -19.177 1.00 0.00 C ATOM 971 CD2 PHE A 60 -6.981 -17.794 -18.821 1.00 0.00 C ATOM 972 CE1 PHE A 60 -6.861 -15.099 -19.403 1.00 0.00 C ATOM 973 CE2 PHE A 60 -5.758 -17.190 -19.045 1.00 0.00 C ATOM 974 CZ PHE A 60 -5.698 -15.841 -19.337 1.00 0.00 C ATOM 0 H PHE A 60 -9.471 -19.744 -17.125 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.416 -16.869 -16.667 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.433 -18.755 -18.978 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.242 -17.223 -19.242 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.987 -15.124 -19.230 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.022 -18.849 -18.594 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.818 -14.044 -19.631 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.850 -17.772 -18.992 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.743 -15.368 -19.513 1.00 0.00 H new ATOM 984 N VAL A 61 -11.849 -16.235 -17.261 1.00 0.00 N ATOM 985 CA VAL A 61 -13.265 -15.895 -17.198 1.00 0.00 C ATOM 986 C VAL A 61 -13.554 -14.601 -17.951 1.00 0.00 C ATOM 987 O VAL A 61 -12.672 -13.771 -18.169 1.00 0.00 O ATOM 988 CB VAL A 61 -13.742 -15.746 -15.741 1.00 0.00 C ATOM 989 CG1 VAL A 61 -14.090 -17.104 -15.151 1.00 0.00 C ATOM 990 CG2 VAL A 61 -12.683 -15.046 -14.903 1.00 0.00 C ATOM 0 H VAL A 61 -11.234 -15.445 -17.454 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.808 -16.714 -17.668 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.643 -15.132 -15.733 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.425 -16.978 -14.121 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.886 -17.563 -15.738 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.209 -17.746 -15.170 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.037 -14.949 -13.877 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.763 -15.631 -14.916 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.489 -14.056 -15.315 1.00 0.00 H new ATOM 1000 N PRO A 62 -14.820 -14.423 -18.357 1.00 0.00 N ATOM 1001 CA PRO A 62 -15.255 -13.232 -19.092 1.00 0.00 C ATOM 1002 C PRO A 62 -15.257 -11.981 -18.219 1.00 0.00 C ATOM 1003 O PRO A 62 -15.891 -11.950 -17.165 1.00 0.00 O ATOM 1004 CB PRO A 62 -16.681 -13.583 -19.525 1.00 0.00 C ATOM 1005 CG PRO A 62 -17.144 -14.586 -18.526 1.00 0.00 C ATOM 1006 CD PRO A 62 -15.923 -15.372 -18.132 1.00 0.00 C ATOM 0 HA PRO A 62 -14.588 -12.999 -19.922 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -17.322 -12.702 -19.527 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -16.699 -13.993 -20.535 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -17.590 -14.097 -17.660 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -17.907 -15.238 -18.952 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -15.971 -15.694 -17.092 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.810 -16.271 -18.739 1.00 0.00 H new ATOM 1014 N ALA A 63 -14.543 -10.953 -18.665 1.00 0.00 N ATOM 1015 CA ALA A 63 -14.464 -9.699 -17.925 1.00 0.00 C ATOM 1016 C ALA A 63 -15.826 -9.017 -17.854 1.00 0.00 C ATOM 1017 O ALA A 63 -16.028 -8.093 -17.067 1.00 0.00 O ATOM 1018 CB ALA A 63 -13.440 -8.773 -18.564 1.00 0.00 C ATOM 0 H ALA A 63 -14.011 -10.964 -19.535 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.147 -9.925 -16.907 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.391 -7.841 -18.001 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.461 -9.253 -18.557 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.733 -8.561 -19.592 1.00 0.00 H new ATOM 1024 N ALA A 64 -16.758 -9.479 -18.682 1.00 0.00 N ATOM 1025 CA ALA A 64 -18.101 -8.914 -18.713 1.00 0.00 C ATOM 1026 C ALA A 64 -18.956 -9.469 -17.578 1.00 0.00 C ATOM 1027 O ALA A 64 -20.092 -9.041 -17.377 1.00 0.00 O ATOM 1028 CB ALA A 64 -18.760 -9.190 -20.056 1.00 0.00 C ATOM 0 H ALA A 64 -16.607 -10.243 -19.340 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.018 -7.836 -18.577 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.762 -8.762 -20.064 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.167 -8.740 -20.852 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.824 -10.266 -20.216 1.00 0.00 H new ATOM 1034 N TYR A 65 -18.402 -10.425 -16.840 1.00 0.00 N ATOM 1035 CA TYR A 65 -19.115 -11.041 -15.728 1.00 0.00 C ATOM 1036 C TYR A 65 -18.302 -10.947 -14.440 1.00 0.00 C ATOM 1037 O TYR A 65 -18.415 -11.797 -13.557 1.00 0.00 O ATOM 1038 CB TYR A 65 -19.425 -12.506 -16.042 1.00 0.00 C ATOM 1039 CG TYR A 65 -20.399 -12.687 -17.185 1.00 0.00 C ATOM 1040 CD1 TYR A 65 -20.029 -12.393 -18.491 1.00 0.00 C ATOM 1041 CD2 TYR A 65 -21.689 -13.150 -16.958 1.00 0.00 C ATOM 1042 CE1 TYR A 65 -20.915 -12.556 -19.539 1.00 0.00 C ATOM 1043 CE2 TYR A 65 -22.581 -13.318 -17.999 1.00 0.00 C ATOM 1044 CZ TYR A 65 -22.190 -13.019 -19.287 1.00 0.00 C ATOM 1045 OH TYR A 65 -23.076 -13.184 -20.327 1.00 0.00 O ATOM 0 H TYR A 65 -17.462 -10.790 -16.992 1.00 0.00 H new ATOM 0 HA TYR A 65 -20.051 -10.500 -15.586 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.495 -13.022 -16.283 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.832 -12.982 -15.150 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -19.031 -12.031 -18.691 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -22.000 -13.383 -15.950 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -20.611 -12.322 -20.549 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -23.579 -13.682 -17.805 1.00 0.00 H new ATOM 0 HH TYR A 65 -23.929 -13.518 -19.980 1.00 0.00 H new ATOM 1055 N VAL A 66 -17.483 -9.905 -14.341 1.00 0.00 N ATOM 1056 CA VAL A 66 -16.651 -9.696 -13.161 1.00 0.00 C ATOM 1057 C VAL A 66 -16.586 -8.219 -12.789 1.00 0.00 C ATOM 1058 O VAL A 66 -16.743 -7.345 -13.641 1.00 0.00 O ATOM 1059 CB VAL A 66 -15.220 -10.222 -13.384 1.00 0.00 C ATOM 1060 CG1 VAL A 66 -15.248 -11.682 -13.810 1.00 0.00 C ATOM 1061 CG2 VAL A 66 -14.495 -9.370 -14.414 1.00 0.00 C ATOM 0 H VAL A 66 -17.378 -9.192 -15.063 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.112 -10.253 -12.345 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.675 -10.155 -12.442 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.228 -12.036 -13.963 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.727 -12.279 -13.033 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.809 -11.779 -14.740 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -13.486 -9.755 -14.559 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.036 -9.403 -15.360 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.443 -8.340 -14.062 1.00 0.00 H new ATOM 1071 N LYS A 67 -16.353 -7.947 -11.509 1.00 0.00 N ATOM 1072 CA LYS A 67 -16.265 -6.576 -11.022 1.00 0.00 C ATOM 1073 C LYS A 67 -15.414 -6.501 -9.758 1.00 0.00 C ATOM 1074 O LYS A 67 -15.787 -7.036 -8.714 1.00 0.00 O ATOM 1075 CB LYS A 67 -17.664 -6.022 -10.741 1.00 0.00 C ATOM 1076 CG LYS A 67 -17.655 -4.679 -10.032 1.00 0.00 C ATOM 1077 CD LYS A 67 -18.965 -3.935 -10.230 1.00 0.00 C ATOM 1078 CE LYS A 67 -18.888 -2.516 -9.688 1.00 0.00 C ATOM 1079 NZ LYS A 67 -18.342 -1.566 -10.696 1.00 0.00 N ATOM 0 H LYS A 67 -16.222 -8.659 -10.790 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.790 -5.972 -11.795 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -18.202 -5.922 -11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -18.215 -6.740 -10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.479 -4.830 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.831 -4.073 -10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.212 -3.907 -11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -19.770 -4.474 -9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -19.882 -2.190 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.260 -2.501 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.306 -0.610 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.383 -1.863 -10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.955 -1.561 -11.536 1.00 0.00 H new ATOM 1093 N LYS A 68 -14.269 -5.834 -9.860 1.00 0.00 N ATOM 1094 CA LYS A 68 -13.366 -5.686 -8.725 1.00 0.00 C ATOM 1095 C LYS A 68 -14.080 -5.041 -7.541 1.00 0.00 C ATOM 1096 O LYS A 68 -14.814 -4.065 -7.703 1.00 0.00 O ATOM 1097 CB LYS A 68 -12.150 -4.845 -9.121 1.00 0.00 C ATOM 1098 CG LYS A 68 -11.267 -4.463 -7.946 1.00 0.00 C ATOM 1099 CD LYS A 68 -11.569 -3.057 -7.455 1.00 0.00 C ATOM 1100 CE LYS A 68 -10.704 -2.023 -8.158 1.00 0.00 C ATOM 1101 NZ LYS A 68 -9.412 -1.807 -7.449 1.00 0.00 N ATOM 0 H LYS A 68 -13.945 -5.387 -10.718 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.032 -6.680 -8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.555 -5.400 -9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.493 -3.937 -9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.415 -5.173 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.220 -4.529 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.621 -2.829 -7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.401 -3.002 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.508 -2.348 -9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.246 -1.079 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.851 -1.095 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.598 -1.473 -6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.883 -2.702 -7.410 1.00 0.00 H new ATOM 1115 N LEU A 69 -13.860 -5.591 -6.352 1.00 0.00 N ATOM 1116 CA LEU A 69 -14.482 -5.068 -5.141 1.00 0.00 C ATOM 1117 C LEU A 69 -13.527 -4.141 -4.396 1.00 0.00 C ATOM 1118 O LEU A 69 -13.938 -3.112 -3.859 1.00 0.00 O ATOM 1119 CB LEU A 69 -14.910 -6.218 -4.227 1.00 0.00 C ATOM 1120 CG LEU A 69 -13.884 -7.333 -4.025 1.00 0.00 C ATOM 1121 CD1 LEU A 69 -13.963 -7.881 -2.608 1.00 0.00 C ATOM 1122 CD2 LEU A 69 -14.099 -8.445 -5.041 1.00 0.00 C ATOM 0 H LEU A 69 -13.256 -6.399 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.363 -4.495 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.164 -5.804 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.820 -6.659 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.888 -6.916 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.225 -8.674 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.760 -7.081 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.961 -8.282 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.360 -9.230 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.100 -8.859 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.991 -8.043 -6.048 1.00 0.00 H new ATOM 1134 N ASP A 70 -12.251 -4.510 -4.370 1.00 0.00 N ATOM 1135 CA ASP A 70 -11.237 -3.710 -3.694 1.00 0.00 C ATOM 1136 C ASP A 70 -9.931 -3.710 -4.482 1.00 0.00 C ATOM 1137 O ASP A 70 -8.850 -3.864 -3.911 1.00 0.00 O ATOM 1138 CB ASP A 70 -10.995 -4.242 -2.281 1.00 0.00 C ATOM 1139 CG ASP A 70 -12.100 -3.854 -1.318 1.00 0.00 C ATOM 1140 OD1 ASP A 70 -12.537 -2.685 -1.357 1.00 0.00 O ATOM 1141 OD2 ASP A 70 -12.529 -4.720 -0.528 1.00 0.00 O ATOM 0 H ASP A 70 -11.894 -5.359 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.602 -2.685 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.911 -5.328 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.044 -3.860 -1.910 1.00 0.00 H new