USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 444 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 1 VAL N :NH3+ 167:sc= -0.442 (180deg=-1.13) USER MOD Set 1.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.057 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0416 X(o=-0.042,f=-0.21) USER MOD Single : A 31 SER OG : rot 17:sc= 0.546 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -35:sc= 0.361 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0384 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -70:sc= -0.757 USER MOD Single : A 53 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -11.193 9.748 4.859 1.00 0.00 N ATOM 2 CA VAL A 1 -10.937 10.341 3.557 1.00 0.00 C ATOM 3 C VAL A 1 -9.525 9.969 3.100 1.00 0.00 C ATOM 4 O VAL A 1 -8.928 10.669 2.284 1.00 0.00 O ATOM 5 CB VAL A 1 -11.167 11.853 3.617 1.00 0.00 C ATOM 6 CG1 VAL A 1 -12.633 12.195 3.348 1.00 0.00 C ATOM 7 CG2 VAL A 1 -10.707 12.424 4.959 1.00 0.00 C ATOM 0 H1 VAL A 1 -12.050 10.170 5.270 1.00 0.00 H new ATOM 0 H2 VAL A 1 -11.329 8.722 4.753 1.00 0.00 H new ATOM 0 H3 VAL A 1 -10.384 9.927 5.487 1.00 0.00 H new ATOM 0 HA VAL A 1 -11.632 9.948 2.815 1.00 0.00 H new ATOM 0 HB VAL A 1 -10.567 12.315 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -12.769 13.275 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -12.914 11.838 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -13.262 11.716 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -10.881 13.500 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -11.268 11.953 5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -9.643 12.227 5.093 1.00 0.00 H new ATOM 17 N THR A 2 -9.032 8.866 3.646 1.00 0.00 N ATOM 18 CA THR A 2 -7.702 8.393 3.304 1.00 0.00 C ATOM 19 C THR A 2 -7.784 7.040 2.594 1.00 0.00 C ATOM 20 O THR A 2 -6.971 6.153 2.846 1.00 0.00 O ATOM 21 CB THR A 2 -6.870 8.355 4.588 1.00 0.00 C ATOM 22 OG1 THR A 2 -7.613 9.151 5.507 1.00 0.00 O ATOM 23 CG2 THR A 2 -5.539 9.096 4.444 1.00 0.00 C ATOM 0 H THR A 2 -9.530 8.287 4.322 1.00 0.00 H new ATOM 0 HA THR A 2 -7.211 9.065 2.600 1.00 0.00 H new ATOM 0 HB THR A 2 -6.681 7.319 4.868 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.146 9.179 6.368 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.987 9.039 5.382 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.951 8.637 3.649 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.729 10.141 4.198 1.00 0.00 H new ATOM 31 N LEU A 3 -8.773 6.927 1.719 1.00 0.00 N ATOM 32 CA LEU A 3 -8.971 5.698 0.970 1.00 0.00 C ATOM 33 C LEU A 3 -7.920 5.606 -0.138 1.00 0.00 C ATOM 34 O LEU A 3 -7.976 6.352 -1.115 1.00 0.00 O ATOM 35 CB LEU A 3 -10.411 5.608 0.461 1.00 0.00 C ATOM 36 CG LEU A 3 -11.008 4.201 0.380 1.00 0.00 C ATOM 37 CD1 LEU A 3 -12.535 4.256 0.317 1.00 0.00 C ATOM 38 CD2 LEU A 3 -10.414 3.419 -0.793 1.00 0.00 C ATOM 0 H LEU A 3 -9.445 7.666 1.512 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.830 4.831 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.043 6.213 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.453 6.057 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.742 3.665 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.934 3.243 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.919 4.747 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.843 4.817 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.856 2.423 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.627 3.943 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.335 3.333 -0.664 1.00 0.00 H new ATOM 50 N PHE A 4 -6.987 4.684 0.051 1.00 0.00 N ATOM 51 CA PHE A 4 -5.925 4.484 -0.920 1.00 0.00 C ATOM 52 C PHE A 4 -6.399 3.603 -2.078 1.00 0.00 C ATOM 53 O PHE A 4 -6.598 2.401 -1.907 1.00 0.00 O ATOM 54 CB PHE A 4 -4.781 3.778 -0.193 1.00 0.00 C ATOM 55 CG PHE A 4 -4.011 4.676 0.779 1.00 0.00 C ATOM 56 CD1 PHE A 4 -4.428 4.796 2.068 1.00 0.00 C ATOM 57 CD2 PHE A 4 -2.913 5.354 0.353 1.00 0.00 C ATOM 58 CE1 PHE A 4 -3.715 5.629 2.969 1.00 0.00 C ATOM 59 CE2 PHE A 4 -2.199 6.187 1.254 1.00 0.00 C ATOM 60 CZ PHE A 4 -2.615 6.308 2.543 1.00 0.00 C ATOM 0 H PHE A 4 -6.945 4.067 0.862 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.614 5.443 -1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.184 2.927 0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.086 3.380 -0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.301 4.258 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.584 5.259 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.045 5.724 3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.326 6.725 0.916 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.073 6.943 3.228 1.00 0.00 H new ATOM 70 N VAL A 5 -6.566 4.235 -3.230 1.00 0.00 N ATOM 71 CA VAL A 5 -7.012 3.523 -4.416 1.00 0.00 C ATOM 72 C VAL A 5 -5.793 3.039 -5.204 1.00 0.00 C ATOM 73 O VAL A 5 -4.886 3.818 -5.492 1.00 0.00 O ATOM 74 CB VAL A 5 -7.943 4.413 -5.241 1.00 0.00 C ATOM 75 CG1 VAL A 5 -8.703 3.593 -6.286 1.00 0.00 C ATOM 76 CG2 VAL A 5 -8.909 5.183 -4.339 1.00 0.00 C ATOM 0 H VAL A 5 -6.401 5.232 -3.368 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.590 2.641 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.328 5.141 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.358 4.250 -6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.992 3.113 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.301 2.831 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.559 5.808 -4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.515 4.478 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.343 5.812 -3.653 1.00 0.00 H new ATOM 86 N ALA A 6 -5.813 1.754 -5.532 1.00 0.00 N ATOM 87 CA ALA A 6 -4.719 1.157 -6.281 1.00 0.00 C ATOM 88 C ALA A 6 -4.721 1.714 -7.706 1.00 0.00 C ATOM 89 O ALA A 6 -5.781 1.916 -8.296 1.00 0.00 O ATOM 90 CB ALA A 6 -4.852 -0.367 -6.250 1.00 0.00 C ATOM 0 H ALA A 6 -6.568 1.111 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.760 1.410 -5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.032 -0.815 -6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.817 -0.714 -5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.801 -0.659 -6.699 1.00 0.00 H new ATOM 96 N LEU A 7 -3.521 1.944 -8.218 1.00 0.00 N ATOM 97 CA LEU A 7 -3.371 2.473 -9.563 1.00 0.00 C ATOM 98 C LEU A 7 -3.299 1.312 -10.558 1.00 0.00 C ATOM 99 O LEU A 7 -4.260 1.049 -11.280 1.00 0.00 O ATOM 100 CB LEU A 7 -2.171 3.419 -9.635 1.00 0.00 C ATOM 101 CG LEU A 7 -2.299 4.592 -10.611 1.00 0.00 C ATOM 102 CD1 LEU A 7 -3.257 5.654 -10.067 1.00 0.00 C ATOM 103 CD2 LEU A 7 -0.926 5.177 -10.948 1.00 0.00 C ATOM 0 H LEU A 7 -2.644 1.774 -7.726 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.239 3.074 -9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.989 3.820 -8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.291 2.838 -9.910 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.726 4.218 -11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.331 6.476 -10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.243 5.213 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.881 6.030 -9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.045 6.008 -11.643 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.448 5.533 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.305 4.407 -11.406 1.00 0.00 H new ATOM 115 N TYR A 8 -2.152 0.649 -10.563 1.00 0.00 N ATOM 116 CA TYR A 8 -1.943 -0.476 -11.457 1.00 0.00 C ATOM 117 C TYR A 8 -1.275 -1.642 -10.724 1.00 0.00 C ATOM 118 O TYR A 8 -1.244 -1.670 -9.494 1.00 0.00 O ATOM 119 CB TYR A 8 -1.003 0.025 -12.555 1.00 0.00 C ATOM 120 CG TYR A 8 -1.720 0.496 -13.822 1.00 0.00 C ATOM 121 CD1 TYR A 8 -1.999 -0.403 -14.831 1.00 0.00 C ATOM 122 CD2 TYR A 8 -2.089 1.820 -13.955 1.00 0.00 C ATOM 123 CE1 TYR A 8 -2.675 0.040 -16.023 1.00 0.00 C ATOM 124 CE2 TYR A 8 -2.764 2.262 -15.147 1.00 0.00 C ATOM 125 CZ TYR A 8 -3.024 1.350 -16.122 1.00 0.00 C ATOM 126 OH TYR A 8 -3.662 1.769 -17.249 1.00 0.00 O ATOM 0 H TYR A 8 -1.358 0.870 -9.962 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.894 -0.833 -11.852 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.406 0.848 -12.161 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.310 -0.774 -12.818 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.711 -1.439 -14.727 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.871 2.524 -13.165 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.900 -0.653 -16.820 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.057 3.295 -15.265 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.851 2.728 -17.180 1.00 0.00 H new ATOM 136 N ASP A 9 -0.757 -2.575 -11.509 1.00 0.00 N ATOM 137 CA ASP A 9 -0.092 -3.740 -10.951 1.00 0.00 C ATOM 138 C ASP A 9 1.345 -3.371 -10.579 1.00 0.00 C ATOM 139 O ASP A 9 2.021 -2.663 -11.323 1.00 0.00 O ATOM 140 CB ASP A 9 -0.040 -4.883 -11.965 1.00 0.00 C ATOM 141 CG ASP A 9 -0.369 -6.266 -11.398 1.00 0.00 C ATOM 142 OD1 ASP A 9 0.057 -6.619 -10.288 1.00 0.00 O ATOM 143 OD2 ASP A 9 -1.104 -7.005 -12.158 1.00 0.00 O ATOM 0 H ASP A 9 -0.784 -2.548 -12.528 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.654 -4.062 -10.074 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.737 -4.663 -12.774 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.957 -4.915 -12.404 1.00 0.00 H new ATOM 149 N TYR A 10 1.770 -3.867 -9.426 1.00 0.00 N ATOM 150 CA TYR A 10 3.115 -3.599 -8.946 1.00 0.00 C ATOM 151 C TYR A 10 4.089 -4.681 -9.412 1.00 0.00 C ATOM 152 O TYR A 10 3.696 -5.621 -10.101 1.00 0.00 O ATOM 153 CB TYR A 10 3.032 -3.628 -7.419 1.00 0.00 C ATOM 154 CG TYR A 10 2.819 -2.254 -6.780 1.00 0.00 C ATOM 155 CD1 TYR A 10 3.792 -1.281 -6.894 1.00 0.00 C ATOM 156 CD2 TYR A 10 1.654 -1.986 -6.090 1.00 0.00 C ATOM 157 CE1 TYR A 10 3.591 0.012 -6.294 1.00 0.00 C ATOM 158 CE2 TYR A 10 1.454 -0.693 -5.490 1.00 0.00 C ATOM 159 CZ TYR A 10 2.433 0.243 -5.621 1.00 0.00 C ATOM 160 OH TYR A 10 2.244 1.464 -5.054 1.00 0.00 O ATOM 0 H TYR A 10 1.206 -4.453 -8.810 1.00 0.00 H new ATOM 0 HA TYR A 10 3.475 -2.643 -9.327 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.215 -4.286 -7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.950 -4.062 -7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.704 -1.490 -7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.892 -2.747 -6.000 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.344 0.782 -6.377 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.547 -0.471 -4.948 1.00 0.00 H new ATOM 0 HH TYR A 10 1.372 1.486 -4.607 1.00 0.00 H new ATOM 170 N GLU A 11 5.344 -4.513 -9.017 1.00 0.00 N ATOM 171 CA GLU A 11 6.378 -5.465 -9.386 1.00 0.00 C ATOM 172 C GLU A 11 7.526 -5.420 -8.377 1.00 0.00 C ATOM 173 O GLU A 11 8.433 -4.597 -8.498 1.00 0.00 O ATOM 174 CB GLU A 11 6.886 -5.201 -10.806 1.00 0.00 C ATOM 175 CG GLU A 11 6.917 -6.492 -11.626 1.00 0.00 C ATOM 176 CD GLU A 11 6.033 -6.373 -12.870 1.00 0.00 C ATOM 177 OE1 GLU A 11 4.982 -7.026 -12.947 1.00 0.00 O ATOM 178 OE2 GLU A 11 6.472 -5.566 -13.775 1.00 0.00 O ATOM 0 H GLU A 11 5.667 -3.732 -8.446 1.00 0.00 H new ATOM 0 HA GLU A 11 5.945 -6.465 -9.370 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.243 -4.470 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.886 -4.769 -10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.942 -6.713 -11.924 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.576 -7.325 -11.012 1.00 0.00 H new ATOM 186 N ALA A 12 7.450 -6.314 -7.401 1.00 0.00 N ATOM 187 CA ALA A 12 8.472 -6.386 -6.371 1.00 0.00 C ATOM 188 C ALA A 12 8.431 -7.766 -5.714 1.00 0.00 C ATOM 189 O ALA A 12 7.413 -8.157 -5.144 1.00 0.00 O ATOM 190 CB ALA A 12 8.260 -5.254 -5.363 1.00 0.00 C ATOM 0 H ALA A 12 6.696 -6.994 -7.302 1.00 0.00 H new ATOM 0 HA ALA A 12 9.464 -6.257 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.026 -5.307 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.327 -4.294 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.276 -5.354 -4.906 1.00 0.00 H new ATOM 196 N ARG A 13 9.550 -8.469 -5.817 1.00 0.00 N ATOM 197 CA ARG A 13 9.655 -9.798 -5.240 1.00 0.00 C ATOM 198 C ARG A 13 10.459 -9.751 -3.939 1.00 0.00 C ATOM 199 O ARG A 13 11.320 -10.598 -3.706 1.00 0.00 O ATOM 200 CB ARG A 13 10.328 -10.768 -6.212 1.00 0.00 C ATOM 201 CG ARG A 13 9.351 -11.853 -6.670 1.00 0.00 C ATOM 202 CD ARG A 13 9.241 -11.885 -8.195 1.00 0.00 C ATOM 203 NE ARG A 13 8.422 -10.747 -8.667 1.00 0.00 N ATOM 204 CZ ARG A 13 8.267 -10.414 -9.966 1.00 0.00 C ATOM 205 NH1 ARG A 13 8.876 -11.130 -10.935 1.00 0.00 N ATOM 206 NH2 ARG A 13 7.511 -9.376 -10.275 1.00 0.00 N ATOM 0 H ARG A 13 10.392 -8.143 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 13 8.644 -10.150 -5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.701 -10.221 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.190 -11.230 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.685 -12.825 -6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.369 -11.670 -6.235 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.235 -11.838 -8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.792 -12.825 -8.516 1.00 0.00 H new ATOM 0 HE ARG A 13 7.945 -10.179 -7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.459 -11.930 -10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.753 -10.871 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.055 -8.840 -9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.383 -9.111 -11.252 1.00 0.00 H new ATOM 219 N THR A 14 10.150 -8.751 -3.126 1.00 0.00 N ATOM 220 CA THR A 14 10.833 -8.582 -1.854 1.00 0.00 C ATOM 221 C THR A 14 10.081 -9.316 -0.743 1.00 0.00 C ATOM 222 O THR A 14 8.883 -9.572 -0.863 1.00 0.00 O ATOM 223 CB THR A 14 10.987 -7.081 -1.596 1.00 0.00 C ATOM 224 OG1 THR A 14 11.557 -6.579 -2.801 1.00 0.00 O ATOM 225 CG2 THR A 14 12.040 -6.776 -0.529 1.00 0.00 C ATOM 0 H THR A 14 9.436 -8.050 -3.323 1.00 0.00 H new ATOM 0 HA THR A 14 11.828 -9.026 -1.877 1.00 0.00 H new ATOM 0 HB THR A 14 10.028 -6.665 -1.288 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.689 -5.611 -2.722 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.110 -5.698 -0.384 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.755 -7.250 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.007 -7.162 -0.851 1.00 0.00 H new ATOM 233 N GLU A 15 10.814 -9.633 0.314 1.00 0.00 N ATOM 234 CA GLU A 15 10.230 -10.334 1.446 1.00 0.00 C ATOM 235 C GLU A 15 9.548 -9.340 2.389 1.00 0.00 C ATOM 236 O GLU A 15 8.498 -9.638 2.955 1.00 0.00 O ATOM 237 CB GLU A 15 11.288 -11.155 2.186 1.00 0.00 C ATOM 238 CG GLU A 15 10.640 -12.276 3.001 1.00 0.00 C ATOM 239 CD GLU A 15 11.685 -13.290 3.469 1.00 0.00 C ATOM 240 OE1 GLU A 15 11.693 -13.674 4.647 1.00 0.00 O ATOM 241 OE2 GLU A 15 12.512 -13.680 2.558 1.00 0.00 O ATOM 0 H GLU A 15 11.806 -9.418 0.411 1.00 0.00 H new ATOM 0 HA GLU A 15 9.476 -11.027 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.990 -11.581 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.862 -10.505 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.127 -11.852 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.885 -12.779 2.397 1.00 0.00 H new ATOM 249 N ASP A 16 10.173 -8.181 2.529 1.00 0.00 N ATOM 250 CA ASP A 16 9.640 -7.143 3.394 1.00 0.00 C ATOM 251 C ASP A 16 8.500 -6.420 2.674 1.00 0.00 C ATOM 252 O ASP A 16 7.583 -5.907 3.313 1.00 0.00 O ATOM 253 CB ASP A 16 10.712 -6.107 3.738 1.00 0.00 C ATOM 254 CG ASP A 16 11.817 -6.606 4.672 1.00 0.00 C ATOM 255 OD1 ASP A 16 12.414 -5.826 5.430 1.00 0.00 O ATOM 256 OD2 ASP A 16 12.062 -7.871 4.601 1.00 0.00 O ATOM 0 H ASP A 16 11.044 -7.938 2.058 1.00 0.00 H new ATOM 0 HA ASP A 16 9.289 -7.617 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.169 -5.758 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.229 -5.245 4.199 1.00 0.00 H new ATOM 262 N ASP A 17 8.594 -6.404 1.352 1.00 0.00 N ATOM 263 CA ASP A 17 7.583 -5.753 0.537 1.00 0.00 C ATOM 264 C ASP A 17 6.748 -6.817 -0.177 1.00 0.00 C ATOM 265 O ASP A 17 7.039 -8.009 -0.082 1.00 0.00 O ATOM 266 CB ASP A 17 8.222 -4.860 -0.528 1.00 0.00 C ATOM 267 CG ASP A 17 9.209 -3.821 0.009 1.00 0.00 C ATOM 268 OD1 ASP A 17 9.295 -2.696 -0.506 1.00 0.00 O ATOM 269 OD2 ASP A 17 9.921 -4.211 1.012 1.00 0.00 O ATOM 0 H ASP A 17 9.355 -6.832 0.825 1.00 0.00 H new ATOM 0 HA ASP A 17 6.964 -5.142 1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.740 -5.493 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.430 -4.342 -1.069 1.00 0.00 H new ATOM 275 N LEU A 18 5.726 -6.349 -0.880 1.00 0.00 N ATOM 276 CA LEU A 18 4.847 -7.247 -1.611 1.00 0.00 C ATOM 277 C LEU A 18 4.183 -6.480 -2.756 1.00 0.00 C ATOM 278 O LEU A 18 4.036 -5.261 -2.690 1.00 0.00 O ATOM 279 CB LEU A 18 3.853 -7.916 -0.660 1.00 0.00 C ATOM 280 CG LEU A 18 3.412 -9.331 -1.038 1.00 0.00 C ATOM 281 CD1 LEU A 18 4.488 -10.356 -0.672 1.00 0.00 C ATOM 282 CD2 LEU A 18 2.060 -9.670 -0.410 1.00 0.00 C ATOM 0 H LEU A 18 5.487 -5.360 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 18 5.418 -8.060 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.298 -7.949 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.966 -7.286 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 18 3.283 -9.372 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.150 -11.354 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.409 -10.123 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.672 -10.322 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.770 -10.681 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.137 -9.606 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.308 -8.964 -0.762 1.00 0.00 H new ATOM 294 N SER A 19 3.798 -7.228 -3.781 1.00 0.00 N ATOM 295 CA SER A 19 3.153 -6.633 -4.940 1.00 0.00 C ATOM 296 C SER A 19 1.672 -7.016 -4.966 1.00 0.00 C ATOM 297 O SER A 19 1.307 -8.125 -4.580 1.00 0.00 O ATOM 298 CB SER A 19 3.837 -7.071 -6.236 1.00 0.00 C ATOM 299 OG SER A 19 3.786 -8.482 -6.417 1.00 0.00 O ATOM 0 H SER A 19 3.920 -8.239 -3.833 1.00 0.00 H new ATOM 0 HA SER A 19 3.241 -5.549 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.358 -6.580 -7.083 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.877 -6.745 -6.225 1.00 0.00 H new ATOM 0 HG SER A 19 4.232 -8.720 -7.256 1.00 0.00 H new ATOM 305 N PHE A 20 0.859 -6.076 -5.428 1.00 0.00 N ATOM 306 CA PHE A 20 -0.574 -6.302 -5.510 1.00 0.00 C ATOM 307 C PHE A 20 -1.091 -6.029 -6.924 1.00 0.00 C ATOM 308 O PHE A 20 -0.308 -5.770 -7.836 1.00 0.00 O ATOM 309 CB PHE A 20 -1.237 -5.323 -4.539 1.00 0.00 C ATOM 310 CG PHE A 20 -0.760 -5.461 -3.093 1.00 0.00 C ATOM 311 CD1 PHE A 20 -0.944 -6.631 -2.424 1.00 0.00 C ATOM 312 CD2 PHE A 20 -0.150 -4.414 -2.475 1.00 0.00 C ATOM 313 CE1 PHE A 20 -0.501 -6.759 -1.081 1.00 0.00 C ATOM 314 CE2 PHE A 20 0.294 -4.543 -1.132 1.00 0.00 C ATOM 315 CZ PHE A 20 0.109 -5.713 -0.464 1.00 0.00 C ATOM 0 H PHE A 20 1.165 -5.158 -5.749 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.803 -7.338 -5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.045 -4.305 -4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.316 -5.471 -4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.427 -7.463 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.003 -3.485 -3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.649 -7.688 -0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.779 -3.712 -0.641 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.447 -5.811 0.557 1.00 0.00 H new ATOM 325 N HIS A 21 -2.407 -6.097 -7.062 1.00 0.00 N ATOM 326 CA HIS A 21 -3.039 -5.860 -8.349 1.00 0.00 C ATOM 327 C HIS A 21 -4.000 -4.675 -8.239 1.00 0.00 C ATOM 328 O HIS A 21 -4.218 -4.146 -7.150 1.00 0.00 O ATOM 329 CB HIS A 21 -3.720 -7.131 -8.862 1.00 0.00 C ATOM 330 CG HIS A 21 -3.005 -8.406 -8.484 1.00 0.00 C ATOM 331 ND1 HIS A 21 -2.080 -9.020 -9.310 1.00 0.00 N ATOM 332 CD2 HIS A 21 -3.088 -9.175 -7.360 1.00 0.00 C ATOM 333 CE1 HIS A 21 -1.633 -10.109 -8.701 1.00 0.00 C ATOM 334 NE2 HIS A 21 -2.260 -10.204 -7.493 1.00 0.00 N ATOM 0 H HIS A 21 -3.053 -6.313 -6.303 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.281 -5.600 -9.088 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -4.738 -7.168 -8.473 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -3.796 -7.077 -9.948 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.720 -8.980 -6.507 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.901 -10.800 -9.092 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -2.116 -10.944 -6.806 1.00 0.00 H new ATOM 342 N LYS A 22 -4.550 -4.294 -9.382 1.00 0.00 N ATOM 343 CA LYS A 22 -5.484 -3.181 -9.429 1.00 0.00 C ATOM 344 C LYS A 22 -6.816 -3.612 -8.813 1.00 0.00 C ATOM 345 O LYS A 22 -7.163 -4.792 -8.839 1.00 0.00 O ATOM 346 CB LYS A 22 -5.611 -2.646 -10.856 1.00 0.00 C ATOM 347 CG LYS A 22 -5.674 -3.793 -11.867 1.00 0.00 C ATOM 348 CD LYS A 22 -5.933 -3.265 -13.280 1.00 0.00 C ATOM 349 CE LYS A 22 -5.887 -4.399 -14.305 1.00 0.00 C ATOM 350 NZ LYS A 22 -6.966 -4.238 -15.306 1.00 0.00 N ATOM 0 H LYS A 22 -4.367 -4.736 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.112 -2.347 -8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.508 -2.033 -10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.762 -2.002 -11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.737 -4.350 -11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.464 -4.489 -11.584 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.906 -2.776 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.188 -2.511 -13.533 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.918 -4.407 -14.804 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.993 -5.359 -13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.920 -5.016 -15.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.889 -4.253 -14.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.848 -3.331 -15.801 1.00 0.00 H new ATOM 363 N GLY A 23 -7.528 -2.633 -8.272 1.00 0.00 N ATOM 364 CA GLY A 23 -8.813 -2.897 -7.651 1.00 0.00 C ATOM 365 C GLY A 23 -8.650 -3.213 -6.163 1.00 0.00 C ATOM 366 O GLY A 23 -9.450 -3.950 -5.589 1.00 0.00 O ATOM 0 H GLY A 23 -7.238 -1.655 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.464 -2.032 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.298 -3.734 -8.153 1.00 0.00 H new ATOM 370 N GLU A 24 -7.607 -2.640 -5.581 1.00 0.00 N ATOM 371 CA GLU A 24 -7.327 -2.851 -4.170 1.00 0.00 C ATOM 372 C GLU A 24 -7.563 -1.560 -3.384 1.00 0.00 C ATOM 373 O GLU A 24 -7.397 -0.465 -3.918 1.00 0.00 O ATOM 374 CB GLU A 24 -5.902 -3.366 -3.966 1.00 0.00 C ATOM 375 CG GLU A 24 -5.844 -4.890 -4.099 1.00 0.00 C ATOM 376 CD GLU A 24 -5.900 -5.563 -2.727 1.00 0.00 C ATOM 377 OE1 GLU A 24 -6.754 -5.212 -1.898 1.00 0.00 O ATOM 378 OE2 GLU A 24 -5.018 -6.484 -2.535 1.00 0.00 O ATOM 0 H GLU A 24 -6.945 -2.030 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.010 -3.612 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.238 -2.908 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.542 -3.070 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.676 -5.237 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.927 -5.179 -4.613 1.00 0.00 H new ATOM 386 N LYS A 25 -7.945 -1.732 -2.126 1.00 0.00 N ATOM 387 CA LYS A 25 -8.205 -0.595 -1.261 1.00 0.00 C ATOM 388 C LYS A 25 -7.517 -0.818 0.087 1.00 0.00 C ATOM 389 O LYS A 25 -7.708 -1.854 0.722 1.00 0.00 O ATOM 390 CB LYS A 25 -9.710 -0.340 -1.149 1.00 0.00 C ATOM 391 CG LYS A 25 -10.261 0.264 -2.442 1.00 0.00 C ATOM 392 CD LYS A 25 -11.744 -0.071 -2.614 1.00 0.00 C ATOM 393 CE LYS A 25 -12.607 1.186 -2.496 1.00 0.00 C ATOM 394 NZ LYS A 25 -14.019 0.823 -2.236 1.00 0.00 N ATOM 0 H LYS A 25 -8.080 -2.642 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.782 0.314 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.226 -1.275 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.907 0.334 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.128 1.346 -2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.697 -0.116 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.905 -0.537 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.047 -0.796 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.233 1.817 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.538 1.769 -3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.591 1.688 -2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.377 0.240 -3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.081 0.286 -1.348 1.00 0.00 H new ATOM 407 N PHE A 26 -6.730 0.171 0.485 1.00 0.00 N ATOM 408 CA PHE A 26 -6.012 0.096 1.746 1.00 0.00 C ATOM 409 C PHE A 26 -6.287 1.330 2.607 1.00 0.00 C ATOM 410 O PHE A 26 -6.767 2.347 2.107 1.00 0.00 O ATOM 411 CB PHE A 26 -4.521 0.045 1.409 1.00 0.00 C ATOM 412 CG PHE A 26 -4.140 -1.074 0.437 1.00 0.00 C ATOM 413 CD1 PHE A 26 -3.995 -2.349 0.890 1.00 0.00 C ATOM 414 CD2 PHE A 26 -3.948 -0.794 -0.879 1.00 0.00 C ATOM 415 CE1 PHE A 26 -3.642 -3.386 -0.012 1.00 0.00 C ATOM 416 CE2 PHE A 26 -3.595 -1.832 -1.782 1.00 0.00 C ATOM 417 CZ PHE A 26 -3.449 -3.106 -1.329 1.00 0.00 C ATOM 0 H PHE A 26 -6.574 1.029 -0.044 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.333 -0.783 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.223 1.002 0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.955 -0.081 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.149 -2.572 1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.064 0.218 -1.238 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.527 -4.398 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.443 -1.610 -2.828 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.180 -3.895 -2.015 1.00 0.00 H new ATOM 427 N GLN A 27 -5.970 1.202 3.887 1.00 0.00 N ATOM 428 CA GLN A 27 -6.176 2.295 4.822 1.00 0.00 C ATOM 429 C GLN A 27 -4.832 2.880 5.259 1.00 0.00 C ATOM 430 O GLN A 27 -3.784 2.483 4.753 1.00 0.00 O ATOM 431 CB GLN A 27 -6.992 1.834 6.032 1.00 0.00 C ATOM 432 CG GLN A 27 -8.352 1.285 5.599 1.00 0.00 C ATOM 433 CD GLN A 27 -9.458 1.741 6.554 1.00 0.00 C ATOM 434 OE1 GLN A 27 -10.192 2.679 6.291 1.00 0.00 O ATOM 435 NE2 GLN A 27 -9.535 1.026 7.673 1.00 0.00 N ATOM 0 H GLN A 27 -5.572 0.358 4.299 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.744 3.077 4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.442 1.065 6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.135 2.669 6.718 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.579 1.622 4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.316 0.196 5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.888 0.253 7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.241 1.251 8.374 1.00 0.00 H new ATOM 444 N ILE A 28 -4.906 3.816 6.194 1.00 0.00 N ATOM 445 CA ILE A 28 -3.708 4.460 6.704 1.00 0.00 C ATOM 446 C ILE A 28 -3.413 3.938 8.112 1.00 0.00 C ATOM 447 O ILE A 28 -4.321 3.505 8.820 1.00 0.00 O ATOM 448 CB ILE A 28 -3.845 5.983 6.629 1.00 0.00 C ATOM 449 CG1 ILE A 28 -2.573 6.673 7.124 1.00 0.00 C ATOM 450 CG2 ILE A 28 -5.087 6.459 7.385 1.00 0.00 C ATOM 451 CD1 ILE A 28 -1.626 6.977 5.962 1.00 0.00 C ATOM 0 H ILE A 28 -5.777 4.144 6.611 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.847 4.209 6.084 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.977 6.263 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.833 7.599 7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.069 6.036 7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.161 7.544 7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.976 6.006 6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.010 6.166 8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.730 7.467 6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.348 6.047 5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.124 7.634 5.249 1.00 0.00 H new ATOM 463 N LEU A 29 -2.141 3.997 8.475 1.00 0.00 N ATOM 464 CA LEU A 29 -1.714 3.535 9.785 1.00 0.00 C ATOM 465 C LEU A 29 -0.505 4.353 10.242 1.00 0.00 C ATOM 466 O LEU A 29 -0.660 5.405 10.861 1.00 0.00 O ATOM 467 CB LEU A 29 -1.465 2.025 9.767 1.00 0.00 C ATOM 468 CG LEU A 29 -2.408 1.179 10.623 1.00 0.00 C ATOM 469 CD1 LEU A 29 -2.428 -0.274 10.143 1.00 0.00 C ATOM 470 CD2 LEU A 29 -2.049 1.288 12.106 1.00 0.00 C ATOM 0 H LEU A 29 -1.391 4.358 7.885 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.503 3.695 10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.533 1.678 8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.443 1.842 10.098 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.419 1.571 10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.106 -0.854 10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.768 -0.311 9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.424 -0.693 10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.735 0.677 12.692 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.029 0.937 12.260 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.127 2.328 12.424 1.00 0.00 H new ATOM 482 N ASN A 30 0.673 3.840 9.917 1.00 0.00 N ATOM 483 CA ASN A 30 1.908 4.510 10.286 1.00 0.00 C ATOM 484 C ASN A 30 2.367 5.398 9.128 1.00 0.00 C ATOM 485 O ASN A 30 2.364 4.970 7.974 1.00 0.00 O ATOM 486 CB ASN A 30 3.018 3.497 10.574 1.00 0.00 C ATOM 487 CG ASN A 30 3.565 3.672 11.993 1.00 0.00 C ATOM 488 OD1 ASN A 30 2.830 3.833 12.953 1.00 0.00 O ATOM 489 ND2 ASN A 30 4.892 3.633 12.070 1.00 0.00 N ATOM 0 H ASN A 30 0.798 2.968 9.402 1.00 0.00 H new ATOM 0 HA ASN A 30 1.717 5.101 11.182 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.633 2.485 10.451 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.825 3.621 9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.354 3.741 12.973 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.448 3.495 11.226 1.00 0.00 H new ATOM 496 N SER A 31 2.750 6.618 9.474 1.00 0.00 N ATOM 497 CA SER A 31 3.211 7.569 8.478 1.00 0.00 C ATOM 498 C SER A 31 4.199 8.551 9.109 1.00 0.00 C ATOM 499 O SER A 31 3.813 9.640 9.532 1.00 0.00 O ATOM 500 CB SER A 31 2.036 8.325 7.854 1.00 0.00 C ATOM 501 OG SER A 31 2.375 8.890 6.590 1.00 0.00 O ATOM 0 H SER A 31 2.750 6.970 10.431 1.00 0.00 H new ATOM 0 HA SER A 31 3.715 7.016 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.192 7.646 7.733 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.714 9.117 8.530 1.00 0.00 H new ATOM 0 HG SER A 31 3.190 8.465 6.250 1.00 0.00 H new ATOM 507 N SER A 32 5.455 8.131 9.154 1.00 0.00 N ATOM 508 CA SER A 32 6.502 8.960 9.728 1.00 0.00 C ATOM 509 C SER A 32 7.108 9.858 8.647 1.00 0.00 C ATOM 510 O SER A 32 6.577 10.928 8.354 1.00 0.00 O ATOM 511 CB SER A 32 7.589 8.104 10.378 1.00 0.00 C ATOM 512 OG SER A 32 7.073 6.870 10.872 1.00 0.00 O ATOM 0 H SER A 32 5.771 7.227 8.802 1.00 0.00 H new ATOM 0 HA SER A 32 6.058 9.584 10.504 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.375 7.903 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.047 8.659 11.197 1.00 0.00 H new ATOM 0 HG SER A 32 7.798 6.351 11.278 1.00 0.00 H new ATOM 518 N GLU A 33 8.213 9.389 8.084 1.00 0.00 N ATOM 519 CA GLU A 33 8.897 10.136 7.043 1.00 0.00 C ATOM 520 C GLU A 33 9.859 9.223 6.281 1.00 0.00 C ATOM 521 O GLU A 33 11.076 9.368 6.387 1.00 0.00 O ATOM 522 CB GLU A 33 9.635 11.343 7.628 1.00 0.00 C ATOM 523 CG GLU A 33 8.996 12.653 7.163 1.00 0.00 C ATOM 524 CD GLU A 33 9.550 13.079 5.802 1.00 0.00 C ATOM 525 OE1 GLU A 33 10.690 12.732 5.460 1.00 0.00 O ATOM 526 OE2 GLU A 33 8.749 13.796 5.089 1.00 0.00 O ATOM 0 H GLU A 33 8.651 8.501 8.330 1.00 0.00 H new ATOM 0 HA GLU A 33 8.151 10.512 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.618 11.292 8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.681 11.316 7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.915 12.532 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.185 13.435 7.898 1.00 0.00 H new ATOM 534 N GLY A 34 9.277 8.301 5.527 1.00 0.00 N ATOM 535 CA GLY A 34 10.068 7.364 4.746 1.00 0.00 C ATOM 536 C GLY A 34 9.337 6.968 3.463 1.00 0.00 C ATOM 537 O GLY A 34 8.210 7.398 3.227 1.00 0.00 O ATOM 0 H GLY A 34 8.268 8.183 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.030 7.813 4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.276 6.474 5.340 1.00 0.00 H new ATOM 541 N ASP A 35 10.009 6.149 2.666 1.00 0.00 N ATOM 542 CA ASP A 35 9.437 5.689 1.412 1.00 0.00 C ATOM 543 C ASP A 35 8.642 4.407 1.659 1.00 0.00 C ATOM 544 O ASP A 35 7.628 4.164 1.006 1.00 0.00 O ATOM 545 CB ASP A 35 10.533 5.376 0.390 1.00 0.00 C ATOM 546 CG ASP A 35 11.571 6.483 0.195 1.00 0.00 C ATOM 547 OD1 ASP A 35 11.234 7.616 -0.178 1.00 0.00 O ATOM 548 OD2 ASP A 35 12.788 6.138 0.446 1.00 0.00 O ATOM 0 H ASP A 35 10.944 5.793 2.865 1.00 0.00 H new ATOM 0 HA ASP A 35 8.795 6.480 1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.048 4.466 0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.063 5.166 -0.571 1.00 0.00 H new ATOM 554 N TRP A 36 9.130 3.618 2.606 1.00 0.00 N ATOM 555 CA TRP A 36 8.477 2.366 2.947 1.00 0.00 C ATOM 556 C TRP A 36 7.467 2.649 4.061 1.00 0.00 C ATOM 557 O TRP A 36 7.844 2.806 5.221 1.00 0.00 O ATOM 558 CB TRP A 36 9.504 1.298 3.330 1.00 0.00 C ATOM 559 CG TRP A 36 10.743 1.276 2.432 1.00 0.00 C ATOM 560 CD1 TRP A 36 12.014 1.528 2.774 1.00 0.00 C ATOM 561 CD2 TRP A 36 10.777 0.977 1.021 1.00 0.00 C ATOM 562 NE1 TRP A 36 12.861 1.412 1.691 1.00 0.00 N ATOM 563 CE2 TRP A 36 12.085 1.066 0.591 1.00 0.00 C ATOM 564 CE3 TRP A 36 9.737 0.640 0.136 1.00 0.00 C ATOM 565 CZ2 TRP A 36 12.475 0.834 -0.734 1.00 0.00 C ATOM 566 CZ3 TRP A 36 10.143 0.412 -1.184 1.00 0.00 C ATOM 567 CH2 TRP A 36 11.456 0.497 -1.632 1.00 0.00 C ATOM 0 H TRP A 36 9.970 3.822 3.147 1.00 0.00 H new ATOM 0 HA TRP A 36 7.944 1.962 2.086 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.818 1.463 4.361 1.00 0.00 H new ATOM 0 HB3 TRP A 36 9.025 0.319 3.296 1.00 0.00 H new ATOM 0 HD1 TRP A 36 12.335 1.789 3.772 1.00 0.00 H new ATOM 0 HE1 TRP A 36 13.871 1.554 1.697 1.00 0.00 H new ATOM 0 HE3 TRP A 36 8.707 0.563 0.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 13.506 0.911 -1.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 9.382 0.152 -1.905 1.00 0.00 H new ATOM 0 HH2 TRP A 36 11.689 0.304 -2.669 1.00 0.00 H new ATOM 578 N TRP A 37 6.202 2.705 3.669 1.00 0.00 N ATOM 579 CA TRP A 37 5.135 2.966 4.620 1.00 0.00 C ATOM 580 C TRP A 37 4.374 1.658 4.847 1.00 0.00 C ATOM 581 O TRP A 37 4.573 0.686 4.121 1.00 0.00 O ATOM 582 CB TRP A 37 4.235 4.104 4.134 1.00 0.00 C ATOM 583 CG TRP A 37 4.647 5.486 4.647 1.00 0.00 C ATOM 584 CD1 TRP A 37 5.301 5.785 5.777 1.00 0.00 C ATOM 585 CD2 TRP A 37 4.406 6.751 3.996 1.00 0.00 C ATOM 586 NE1 TRP A 37 5.498 7.145 5.904 1.00 0.00 N ATOM 587 CE2 TRP A 37 4.936 7.751 4.786 1.00 0.00 C ATOM 588 CE3 TRP A 37 3.762 7.042 2.781 1.00 0.00 C ATOM 589 CZ2 TRP A 37 4.877 9.108 4.447 1.00 0.00 C ATOM 590 CZ3 TRP A 37 3.710 8.403 2.456 1.00 0.00 C ATOM 591 CH2 TRP A 37 4.239 9.421 3.240 1.00 0.00 C ATOM 0 H TRP A 37 5.893 2.574 2.706 1.00 0.00 H new ATOM 0 HA TRP A 37 5.542 3.303 5.574 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.239 4.116 3.044 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.211 3.902 4.447 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.633 5.053 6.499 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.969 7.618 6.675 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.340 6.276 2.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.301 9.872 5.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.225 8.681 1.532 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.159 10.449 2.920 1.00 0.00 H new ATOM 602 N GLU A 38 3.519 1.677 5.859 1.00 0.00 N ATOM 603 CA GLU A 38 2.727 0.505 6.192 1.00 0.00 C ATOM 604 C GLU A 38 1.364 0.571 5.500 1.00 0.00 C ATOM 605 O GLU A 38 0.784 1.647 5.363 1.00 0.00 O ATOM 606 CB GLU A 38 2.566 0.364 7.707 1.00 0.00 C ATOM 607 CG GLU A 38 2.503 -1.109 8.116 1.00 0.00 C ATOM 608 CD GLU A 38 2.707 -1.267 9.624 1.00 0.00 C ATOM 609 OE1 GLU A 38 1.794 -1.725 10.328 1.00 0.00 O ATOM 610 OE2 GLU A 38 3.863 -0.897 10.060 1.00 0.00 O ATOM 0 H GLU A 38 3.357 2.486 6.459 1.00 0.00 H new ATOM 0 HA GLU A 38 3.253 -0.379 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.401 0.850 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.658 0.874 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.539 -1.529 7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.268 -1.672 7.581 1.00 0.00 H new ATOM 618 N ALA A 39 0.891 -0.594 5.081 1.00 0.00 N ATOM 619 CA ALA A 39 -0.392 -0.682 4.406 1.00 0.00 C ATOM 620 C ALA A 39 -1.198 -1.839 5.002 1.00 0.00 C ATOM 621 O ALA A 39 -0.682 -2.945 5.155 1.00 0.00 O ATOM 622 CB ALA A 39 -0.169 -0.841 2.901 1.00 0.00 C ATOM 0 H ALA A 39 1.374 -1.485 5.196 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.967 0.232 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.132 -0.907 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.382 0.020 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.403 -1.749 2.712 1.00 0.00 H new ATOM 628 N ARG A 40 -2.450 -1.543 5.320 1.00 0.00 N ATOM 629 CA ARG A 40 -3.331 -2.545 5.895 1.00 0.00 C ATOM 630 C ARG A 40 -4.479 -2.858 4.931 1.00 0.00 C ATOM 631 O ARG A 40 -5.109 -1.949 4.395 1.00 0.00 O ATOM 632 CB ARG A 40 -3.910 -2.070 7.229 1.00 0.00 C ATOM 633 CG ARG A 40 -4.585 -3.221 7.976 1.00 0.00 C ATOM 634 CD ARG A 40 -5.623 -2.697 8.970 1.00 0.00 C ATOM 635 NE ARG A 40 -4.997 -2.489 10.295 1.00 0.00 N ATOM 636 CZ ARG A 40 -5.551 -1.764 11.288 1.00 0.00 C ATOM 637 NH1 ARG A 40 -6.749 -1.166 11.116 1.00 0.00 N ATOM 638 NH2 ARG A 40 -4.902 -1.645 12.432 1.00 0.00 N ATOM 0 H ARG A 40 -2.875 -0.625 5.190 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.741 -3.445 6.068 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.115 -1.649 7.845 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.633 -1.273 7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.065 -3.890 7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.833 -3.806 8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.045 -1.760 8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.447 -3.406 9.055 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.089 -2.921 10.468 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.243 -1.260 10.229 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.160 -0.620 11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.996 -2.098 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.307 -1.100 13.194 1.00 0.00 H new ATOM 651 N SER A 41 -4.713 -4.149 4.743 1.00 0.00 N ATOM 652 CA SER A 41 -5.774 -4.592 3.853 1.00 0.00 C ATOM 653 C SER A 41 -7.044 -4.882 4.656 1.00 0.00 C ATOM 654 O SER A 41 -6.992 -5.561 5.681 1.00 0.00 O ATOM 655 CB SER A 41 -5.349 -5.834 3.066 1.00 0.00 C ATOM 656 OG SER A 41 -4.256 -5.563 2.193 1.00 0.00 O ATOM 0 H SER A 41 -4.188 -4.901 5.190 1.00 0.00 H new ATOM 0 HA SER A 41 -5.977 -3.794 3.139 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.070 -6.626 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.195 -6.202 2.485 1.00 0.00 H new ATOM 0 HG SER A 41 -4.341 -4.655 1.834 1.00 0.00 H new ATOM 662 N LEU A 42 -8.153 -4.354 4.161 1.00 0.00 N ATOM 663 CA LEU A 42 -9.434 -4.548 4.820 1.00 0.00 C ATOM 664 C LEU A 42 -10.054 -5.862 4.342 1.00 0.00 C ATOM 665 O LEU A 42 -11.063 -6.310 4.885 1.00 0.00 O ATOM 666 CB LEU A 42 -10.335 -3.329 4.608 1.00 0.00 C ATOM 667 CG LEU A 42 -9.892 -2.349 3.521 1.00 0.00 C ATOM 668 CD1 LEU A 42 -10.276 -2.862 2.131 1.00 0.00 C ATOM 669 CD2 LEU A 42 -10.446 -0.947 3.787 1.00 0.00 C ATOM 0 H LEU A 42 -8.192 -3.792 3.311 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.300 -4.632 5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.338 -3.681 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.407 -2.787 5.551 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.805 -2.277 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.950 -2.147 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.794 -3.823 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.358 -2.982 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.116 -0.270 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.535 -0.983 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.082 -0.588 4.750 1.00 0.00 H new ATOM 681 N THR A 43 -9.425 -6.444 3.331 1.00 0.00 N ATOM 682 CA THR A 43 -9.903 -7.698 2.775 1.00 0.00 C ATOM 683 C THR A 43 -9.241 -8.882 3.482 1.00 0.00 C ATOM 684 O THR A 43 -9.841 -9.499 4.360 1.00 0.00 O ATOM 685 CB THR A 43 -9.650 -7.672 1.266 1.00 0.00 C ATOM 686 OG1 THR A 43 -9.391 -6.300 0.981 1.00 0.00 O ATOM 687 CG2 THR A 43 -10.909 -7.990 0.455 1.00 0.00 C ATOM 0 H THR A 43 -8.589 -6.070 2.883 1.00 0.00 H new ATOM 0 HA THR A 43 -10.974 -7.821 2.938 1.00 0.00 H new ATOM 0 HB THR A 43 -8.867 -8.389 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.215 -6.193 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.674 -7.958 -0.609 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.269 -8.985 0.718 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.681 -7.254 0.678 1.00 0.00 H new ATOM 695 N THR A 44 -8.012 -9.163 3.072 1.00 0.00 N ATOM 696 CA THR A 44 -7.262 -10.261 3.656 1.00 0.00 C ATOM 697 C THR A 44 -6.603 -9.823 4.964 1.00 0.00 C ATOM 698 O THR A 44 -6.646 -10.545 5.959 1.00 0.00 O ATOM 699 CB THR A 44 -6.263 -10.760 2.610 1.00 0.00 C ATOM 700 OG1 THR A 44 -5.516 -9.598 2.262 1.00 0.00 O ATOM 701 CG2 THR A 44 -6.942 -11.171 1.301 1.00 0.00 C ATOM 0 H THR A 44 -7.518 -8.649 2.343 1.00 0.00 H new ATOM 0 HA THR A 44 -7.918 -11.090 3.922 1.00 0.00 H new ATOM 0 HB THR A 44 -5.708 -11.607 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.843 -9.831 1.589 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.189 -11.517 0.593 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.653 -11.974 1.496 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.469 -10.315 0.880 1.00 0.00 H new ATOM 709 N GLY A 45 -6.008 -8.639 4.922 1.00 0.00 N ATOM 710 CA GLY A 45 -5.341 -8.094 6.092 1.00 0.00 C ATOM 711 C GLY A 45 -3.825 -8.284 5.996 1.00 0.00 C ATOM 712 O GLY A 45 -3.120 -8.191 7.000 1.00 0.00 O ATOM 0 H GLY A 45 -5.974 -8.042 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.573 -7.033 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.717 -8.584 6.990 1.00 0.00 H new ATOM 716 N GLU A 46 -3.369 -8.547 4.780 1.00 0.00 N ATOM 717 CA GLU A 46 -1.950 -8.750 4.541 1.00 0.00 C ATOM 718 C GLU A 46 -1.206 -7.414 4.599 1.00 0.00 C ATOM 719 O GLU A 46 -1.603 -6.450 3.947 1.00 0.00 O ATOM 720 CB GLU A 46 -1.716 -9.451 3.201 1.00 0.00 C ATOM 721 CG GLU A 46 -2.149 -10.917 3.267 1.00 0.00 C ATOM 722 CD GLU A 46 -1.386 -11.760 2.243 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.582 -11.589 1.030 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.565 -12.619 2.746 1.00 0.00 O ATOM 0 H GLU A 46 -3.957 -8.624 3.950 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.557 -9.396 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.272 -8.939 2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.661 -9.391 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.972 -11.308 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.220 -10.992 3.080 1.00 0.00 H new ATOM 732 N THR A 47 -0.140 -7.402 5.386 1.00 0.00 N ATOM 733 CA THR A 47 0.663 -6.201 5.537 1.00 0.00 C ATOM 734 C THR A 47 1.818 -6.201 4.532 1.00 0.00 C ATOM 735 O THR A 47 2.241 -7.259 4.067 1.00 0.00 O ATOM 736 CB THR A 47 1.126 -6.122 6.993 1.00 0.00 C ATOM 737 OG1 THR A 47 -0.081 -6.203 7.745 1.00 0.00 O ATOM 738 CG2 THR A 47 1.697 -4.749 7.353 1.00 0.00 C ATOM 0 H THR A 47 0.186 -8.204 5.925 1.00 0.00 H new ATOM 0 HA THR A 47 0.081 -5.306 5.316 1.00 0.00 H new ATOM 0 HB THR A 47 1.880 -6.888 7.176 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.126 -6.161 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.010 -4.748 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.555 -4.533 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.933 -3.986 7.203 1.00 0.00 H new ATOM 746 N GLY A 48 2.294 -5.003 4.226 1.00 0.00 N ATOM 747 CA GLY A 48 3.391 -4.852 3.285 1.00 0.00 C ATOM 748 C GLY A 48 3.845 -3.393 3.203 1.00 0.00 C ATOM 749 O GLY A 48 3.064 -2.481 3.467 1.00 0.00 O ATOM 0 H GLY A 48 1.940 -4.128 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.227 -5.480 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.079 -5.196 2.299 1.00 0.00 H new ATOM 753 N TYR A 49 5.106 -3.219 2.836 1.00 0.00 N ATOM 754 CA TYR A 49 5.674 -1.887 2.716 1.00 0.00 C ATOM 755 C TYR A 49 5.790 -1.471 1.248 1.00 0.00 C ATOM 756 O TYR A 49 6.659 -1.961 0.527 1.00 0.00 O ATOM 757 CB TYR A 49 7.076 -1.970 3.323 1.00 0.00 C ATOM 758 CG TYR A 49 7.096 -1.941 4.852 1.00 0.00 C ATOM 759 CD1 TYR A 49 6.620 -3.021 5.569 1.00 0.00 C ATOM 760 CD2 TYR A 49 7.587 -0.835 5.514 1.00 0.00 C ATOM 761 CE1 TYR A 49 6.638 -2.993 7.008 1.00 0.00 C ATOM 762 CE2 TYR A 49 7.605 -0.808 6.955 1.00 0.00 C ATOM 763 CZ TYR A 49 7.130 -1.888 7.630 1.00 0.00 C ATOM 764 OH TYR A 49 7.147 -1.862 8.990 1.00 0.00 O ATOM 0 H TYR A 49 5.751 -3.979 2.618 1.00 0.00 H new ATOM 0 HA TYR A 49 5.044 -1.154 3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 49 7.555 -2.888 2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.673 -1.140 2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.234 -3.886 5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.958 0.010 4.953 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.269 -3.831 7.581 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.987 0.051 7.486 1.00 0.00 H new ATOM 0 HH TYR A 49 7.526 -1.012 9.296 1.00 0.00 H new ATOM 774 N ILE A 50 4.903 -0.572 0.850 1.00 0.00 N ATOM 775 CA ILE A 50 4.894 -0.085 -0.520 1.00 0.00 C ATOM 776 C ILE A 50 5.185 1.418 -0.524 1.00 0.00 C ATOM 777 O ILE A 50 5.085 2.075 0.511 1.00 0.00 O ATOM 778 CB ILE A 50 3.583 -0.459 -1.214 1.00 0.00 C ATOM 779 CG1 ILE A 50 2.467 -0.684 -0.193 1.00 0.00 C ATOM 780 CG2 ILE A 50 3.774 -1.669 -2.130 1.00 0.00 C ATOM 781 CD1 ILE A 50 1.566 0.549 -0.085 1.00 0.00 C ATOM 0 H ILE A 50 4.185 -0.168 1.451 1.00 0.00 H new ATOM 0 HA ILE A 50 5.682 -0.565 -1.100 1.00 0.00 H new ATOM 0 HB ILE A 50 3.279 0.377 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.872 -1.549 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.901 -0.909 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.827 -1.914 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.518 -1.435 -2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.113 -2.521 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.781 0.363 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.160 1.407 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.115 0.756 -1.055 1.00 0.00 H new ATOM 793 N PRO A 51 5.549 1.930 -1.729 1.00 0.00 N ATOM 794 CA PRO A 51 5.855 3.342 -1.881 1.00 0.00 C ATOM 795 C PRO A 51 4.580 4.159 -2.099 1.00 0.00 C ATOM 796 O PRO A 51 3.516 3.599 -2.362 1.00 0.00 O ATOM 797 CB PRO A 51 6.814 3.412 -3.058 1.00 0.00 C ATOM 798 CG PRO A 51 6.647 2.102 -3.812 1.00 0.00 C ATOM 799 CD PRO A 51 5.882 1.143 -2.913 1.00 0.00 C ATOM 0 HA PRO A 51 6.309 3.773 -0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.584 4.263 -3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.842 3.538 -2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.107 2.264 -4.745 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.619 1.686 -4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.984 0.770 -3.406 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.488 0.275 -2.654 1.00 0.00 H new ATOM 807 N SER A 52 4.729 5.470 -1.982 1.00 0.00 N ATOM 808 CA SER A 52 3.602 6.369 -2.163 1.00 0.00 C ATOM 809 C SER A 52 3.788 7.192 -3.441 1.00 0.00 C ATOM 810 O SER A 52 3.551 8.398 -3.447 1.00 0.00 O ATOM 811 CB SER A 52 3.436 7.295 -0.957 1.00 0.00 C ATOM 812 OG SER A 52 2.130 7.862 -0.893 1.00 0.00 O ATOM 0 H SER A 52 5.612 5.931 -1.764 1.00 0.00 H new ATOM 0 HA SER A 52 2.697 5.768 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.634 6.737 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.176 8.094 -1.009 1.00 0.00 H new ATOM 0 HG SER A 52 2.019 8.510 -1.620 1.00 0.00 H new ATOM 818 N ASN A 53 4.212 6.504 -4.491 1.00 0.00 N ATOM 819 CA ASN A 53 4.432 7.156 -5.771 1.00 0.00 C ATOM 820 C ASN A 53 3.396 6.655 -6.779 1.00 0.00 C ATOM 821 O ASN A 53 3.431 7.031 -7.950 1.00 0.00 O ATOM 822 CB ASN A 53 5.822 6.831 -6.322 1.00 0.00 C ATOM 823 CG ASN A 53 6.657 8.103 -6.490 1.00 0.00 C ATOM 824 OD1 ASN A 53 6.424 8.917 -7.368 1.00 0.00 O ATOM 825 ND2 ASN A 53 7.638 8.228 -5.601 1.00 0.00 N ATOM 0 H ASN A 53 4.409 5.503 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 53 4.345 8.232 -5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.332 6.143 -5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.727 6.325 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.250 9.043 -5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.778 7.509 -4.891 1.00 0.00 H new ATOM 832 N TYR A 54 2.498 5.814 -6.288 1.00 0.00 N ATOM 833 CA TYR A 54 1.454 5.257 -7.131 1.00 0.00 C ATOM 834 C TYR A 54 0.110 5.238 -6.398 1.00 0.00 C ATOM 835 O TYR A 54 -0.586 4.223 -6.397 1.00 0.00 O ATOM 836 CB TYR A 54 1.877 3.819 -7.433 1.00 0.00 C ATOM 837 CG TYR A 54 2.737 3.674 -8.691 1.00 0.00 C ATOM 838 CD1 TYR A 54 2.369 4.316 -9.855 1.00 0.00 C ATOM 839 CD2 TYR A 54 3.879 2.902 -8.660 1.00 0.00 C ATOM 840 CE1 TYR A 54 3.177 4.180 -11.039 1.00 0.00 C ATOM 841 CE2 TYR A 54 4.688 2.765 -9.844 1.00 0.00 C ATOM 842 CZ TYR A 54 4.298 3.411 -10.975 1.00 0.00 C ATOM 843 OH TYR A 54 5.061 3.283 -12.092 1.00 0.00 O ATOM 0 H TYR A 54 2.472 5.505 -5.316 1.00 0.00 H new ATOM 0 HA TYR A 54 1.331 5.854 -8.034 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.431 3.427 -6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.984 3.204 -7.543 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.475 4.921 -9.878 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.167 2.400 -7.748 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.900 4.677 -11.957 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.584 2.163 -9.834 1.00 0.00 H new ATOM 0 HH TYR A 54 5.829 2.706 -11.899 1.00 0.00 H new ATOM 853 N VAL A 55 -0.215 6.372 -5.795 1.00 0.00 N ATOM 854 CA VAL A 55 -1.463 6.498 -5.060 1.00 0.00 C ATOM 855 C VAL A 55 -2.258 7.682 -5.614 1.00 0.00 C ATOM 856 O VAL A 55 -1.676 8.660 -6.080 1.00 0.00 O ATOM 857 CB VAL A 55 -1.178 6.616 -3.562 1.00 0.00 C ATOM 858 CG1 VAL A 55 -1.351 5.267 -2.862 1.00 0.00 C ATOM 859 CG2 VAL A 55 0.219 7.188 -3.313 1.00 0.00 C ATOM 0 H VAL A 55 0.364 7.212 -5.800 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.076 5.606 -5.190 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.904 7.309 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.142 5.380 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.374 4.916 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.660 4.542 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.396 7.261 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.966 6.532 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.292 8.179 -3.761 1.00 0.00 H new ATOM 869 N ALA A 56 -3.574 7.553 -5.544 1.00 0.00 N ATOM 870 CA ALA A 56 -4.455 8.601 -6.032 1.00 0.00 C ATOM 871 C ALA A 56 -5.383 9.050 -4.901 1.00 0.00 C ATOM 872 O ALA A 56 -5.768 8.246 -4.054 1.00 0.00 O ATOM 873 CB ALA A 56 -5.226 8.093 -7.252 1.00 0.00 C ATOM 0 H ALA A 56 -4.052 6.739 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.878 9.470 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.887 8.879 -7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.523 7.815 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.819 7.222 -6.971 1.00 0.00 H new ATOM 879 N PRO A 57 -5.724 10.366 -4.925 1.00 0.00 N ATOM 880 CA PRO A 57 -6.599 10.930 -3.912 1.00 0.00 C ATOM 881 C PRO A 57 -8.014 11.131 -4.460 1.00 0.00 C ATOM 882 O PRO A 57 -8.254 12.041 -5.251 1.00 0.00 O ATOM 883 CB PRO A 57 -5.933 12.233 -3.499 1.00 0.00 C ATOM 884 CG PRO A 57 -4.963 12.578 -4.616 1.00 0.00 C ATOM 885 CD PRO A 57 -4.796 11.343 -5.487 1.00 0.00 C ATOM 0 HA PRO A 57 -6.726 10.272 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.671 13.024 -3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.411 12.120 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.342 13.413 -5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.002 12.888 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.031 11.559 -6.529 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.770 10.976 -5.461 1.00 0.00 H new ATOM 893 N VAL A 58 -8.913 10.264 -4.017 1.00 0.00 N ATOM 894 CA VAL A 58 -10.298 10.334 -4.452 1.00 0.00 C ATOM 895 C VAL A 58 -11.069 11.288 -3.537 1.00 0.00 C ATOM 896 O VAL A 58 -10.531 11.767 -2.540 1.00 0.00 O ATOM 897 CB VAL A 58 -10.904 8.930 -4.499 1.00 0.00 C ATOM 898 CG1 VAL A 58 -10.200 8.064 -5.546 1.00 0.00 C ATOM 899 CG2 VAL A 58 -10.858 8.268 -3.119 1.00 0.00 C ATOM 0 H VAL A 58 -8.709 9.510 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.360 10.734 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.950 9.025 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.650 7.071 -5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.306 8.523 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.142 7.980 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.295 7.271 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.823 8.191 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.424 8.870 -2.408 1.00 0.00 H new ATOM 909 N ASP A 59 -12.316 11.534 -3.909 1.00 0.00 N ATOM 910 CA ASP A 59 -13.166 12.423 -3.134 1.00 0.00 C ATOM 911 C ASP A 59 -14.559 11.804 -3.006 1.00 0.00 C ATOM 912 O ASP A 59 -14.830 10.750 -3.580 1.00 0.00 O ATOM 913 CB ASP A 59 -13.312 13.782 -3.819 1.00 0.00 C ATOM 914 CG ASP A 59 -12.435 13.980 -5.057 1.00 0.00 C ATOM 915 OD1 ASP A 59 -12.606 13.296 -6.078 1.00 0.00 O ATOM 916 OD2 ASP A 59 -11.531 14.894 -4.944 1.00 0.00 O ATOM 0 H ASP A 59 -12.759 11.134 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.706 12.562 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.355 13.917 -4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.076 14.563 -3.097 1.00 0.00 H new TER 922 ASP A 59