USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=16 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 25 LYS NZ :NH3+ 176:sc= 0.0125 (180deg=0) USER MOD Set 1.2: A 43 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 1 VAL N :NH3+ 174:sc= -0.379 (180deg=-0.563) USER MOD Single : 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 USER MOD Single : A 14 THR OG1 : rot -179:sc= 0.008 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.073) USER MOD Single : A 30 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.23) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc=0.000999 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -170:sc= -0.108 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -54:sc= 0.215 USER MOD Single : A 53 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.5!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -11.634 11.201 2.064 1.00 0.00 N ATOM 2 CA VAL A 1 -11.578 10.177 3.093 1.00 0.00 C ATOM 3 C VAL A 1 -10.142 9.665 3.220 1.00 0.00 C ATOM 4 O VAL A 1 -9.199 10.346 2.820 1.00 0.00 O ATOM 5 CB VAL A 1 -12.583 9.067 2.782 1.00 0.00 C ATOM 6 CG1 VAL A 1 -13.899 9.292 3.530 1.00 0.00 C ATOM 7 CG2 VAL A 1 -12.823 8.951 1.275 1.00 0.00 C ATOM 0 H1 VAL A 1 -12.623 11.479 1.904 1.00 0.00 H new ATOM 0 H2 VAL A 1 -11.087 12.031 2.370 1.00 0.00 H new ATOM 0 H3 VAL A 1 -11.232 10.828 1.180 1.00 0.00 H new ATOM 0 HA VAL A 1 -11.862 10.592 4.060 1.00 0.00 H new ATOM 0 HB VAL A 1 -12.158 8.125 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -14.595 8.488 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -13.710 9.301 4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -14.330 10.247 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -13.541 8.154 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -13.216 9.894 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -11.883 8.721 0.773 1.00 0.00 H new ATOM 17 N THR A 2 -10.021 8.470 3.778 1.00 0.00 N ATOM 18 CA THR A 2 -8.716 7.859 3.963 1.00 0.00 C ATOM 19 C THR A 2 -8.604 6.580 3.130 1.00 0.00 C ATOM 20 O THR A 2 -7.906 5.643 3.517 1.00 0.00 O ATOM 21 CB THR A 2 -8.509 7.629 5.461 1.00 0.00 C ATOM 22 OG1 THR A 2 -9.565 6.744 5.826 1.00 0.00 O ATOM 23 CG2 THR A 2 -8.775 8.887 6.289 1.00 0.00 C ATOM 0 H THR A 2 -10.806 7.908 4.108 1.00 0.00 H new ATOM 0 HA THR A 2 -7.919 8.512 3.608 1.00 0.00 H new ATOM 0 HB THR A 2 -7.489 7.287 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.505 6.541 6.783 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.614 8.669 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.096 9.680 5.975 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.805 9.210 6.139 1.00 0.00 H new ATOM 31 N LEU A 3 -9.301 6.582 2.005 1.00 0.00 N ATOM 32 CA LEU A 3 -9.287 5.434 1.114 1.00 0.00 C ATOM 33 C LEU A 3 -8.549 5.801 -0.175 1.00 0.00 C ATOM 34 O LEU A 3 -8.675 6.920 -0.670 1.00 0.00 O ATOM 35 CB LEU A 3 -10.710 4.919 0.882 1.00 0.00 C ATOM 36 CG LEU A 3 -11.314 4.084 2.014 1.00 0.00 C ATOM 37 CD1 LEU A 3 -12.834 3.989 1.872 1.00 0.00 C ATOM 38 CD2 LEU A 3 -10.657 2.705 2.087 1.00 0.00 C ATOM 0 H LEU A 3 -9.880 7.360 1.689 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.742 4.607 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.360 5.775 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.714 4.319 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.110 4.588 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.239 3.391 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.266 4.989 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.082 3.519 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.104 2.132 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.810 2.179 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.589 2.820 2.269 1.00 0.00 H new ATOM 50 N PHE A 4 -7.794 4.837 -0.682 1.00 0.00 N ATOM 51 CA PHE A 4 -7.036 5.045 -1.903 1.00 0.00 C ATOM 52 C PHE A 4 -7.390 3.990 -2.954 1.00 0.00 C ATOM 53 O PHE A 4 -8.109 3.036 -2.664 1.00 0.00 O ATOM 54 CB PHE A 4 -5.556 4.908 -1.539 1.00 0.00 C ATOM 55 CG PHE A 4 -5.076 5.921 -0.498 1.00 0.00 C ATOM 56 CD1 PHE A 4 -4.670 7.159 -0.889 1.00 0.00 C ATOM 57 CD2 PHE A 4 -5.055 5.584 0.820 1.00 0.00 C ATOM 58 CE1 PHE A 4 -4.224 8.099 0.078 1.00 0.00 C ATOM 59 CE2 PHE A 4 -4.609 6.523 1.786 1.00 0.00 C ATOM 60 CZ PHE A 4 -4.204 7.762 1.395 1.00 0.00 C ATOM 0 H PHE A 4 -7.691 3.910 -0.269 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.264 6.026 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.377 3.901 -1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.958 5.020 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.687 7.427 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.378 4.601 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.901 9.081 -0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.591 6.254 2.832 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.867 8.477 2.131 1.00 0.00 H new ATOM 70 N VAL A 5 -6.865 4.198 -4.154 1.00 0.00 N ATOM 71 CA VAL A 5 -7.117 3.277 -5.249 1.00 0.00 C ATOM 72 C VAL A 5 -5.899 3.250 -6.176 1.00 0.00 C ATOM 73 O VAL A 5 -5.529 4.272 -6.752 1.00 0.00 O ATOM 74 CB VAL A 5 -8.409 3.663 -5.972 1.00 0.00 C ATOM 75 CG1 VAL A 5 -8.432 5.159 -6.292 1.00 0.00 C ATOM 76 CG2 VAL A 5 -8.599 2.828 -7.239 1.00 0.00 C ATOM 0 H VAL A 5 -6.267 4.990 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.262 2.265 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.243 3.451 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.361 5.407 -6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.366 5.730 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.586 5.407 -6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.525 3.123 -7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.759 2.994 -7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.649 1.772 -6.975 1.00 0.00 H new ATOM 86 N ALA A 6 -5.310 2.068 -6.291 1.00 0.00 N ATOM 87 CA ALA A 6 -4.142 1.895 -7.138 1.00 0.00 C ATOM 88 C ALA A 6 -4.591 1.737 -8.592 1.00 0.00 C ATOM 89 O ALA A 6 -5.464 0.924 -8.891 1.00 0.00 O ATOM 90 CB ALA A 6 -3.329 0.696 -6.646 1.00 0.00 C ATOM 0 H ALA A 6 -5.620 1.222 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.496 2.771 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.453 0.565 -7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.010 0.870 -5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.944 -0.203 -6.688 1.00 0.00 H new ATOM 96 N LEU A 7 -3.973 2.527 -9.457 1.00 0.00 N ATOM 97 CA LEU A 7 -4.297 2.486 -10.874 1.00 0.00 C ATOM 98 C LEU A 7 -3.292 1.587 -11.597 1.00 0.00 C ATOM 99 O LEU A 7 -3.496 1.228 -12.756 1.00 0.00 O ATOM 100 CB LEU A 7 -4.380 3.902 -11.446 1.00 0.00 C ATOM 101 CG LEU A 7 -5.534 4.765 -10.935 1.00 0.00 C ATOM 102 CD1 LEU A 7 -5.317 6.237 -11.291 1.00 0.00 C ATOM 103 CD2 LEU A 7 -6.878 4.244 -11.448 1.00 0.00 C ATOM 0 H LEU A 7 -3.249 3.200 -9.205 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.283 2.048 -11.027 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.444 4.416 -11.228 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.459 3.830 -12.531 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.556 4.696 -9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.152 6.829 -10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.390 6.588 -10.837 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.254 6.344 -12.374 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.682 4.876 -11.070 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.884 4.263 -12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.028 3.221 -11.102 1.00 0.00 H new ATOM 115 N TYR A 8 -2.228 1.249 -10.883 1.00 0.00 N ATOM 116 CA TYR A 8 -1.190 0.400 -11.442 1.00 0.00 C ATOM 117 C TYR A 8 -0.598 -0.518 -10.371 1.00 0.00 C ATOM 118 O TYR A 8 -0.315 -0.078 -9.258 1.00 0.00 O ATOM 119 CB TYR A 8 -0.099 1.345 -11.948 1.00 0.00 C ATOM 120 CG TYR A 8 0.572 0.883 -13.243 1.00 0.00 C ATOM 121 CD1 TYR A 8 -0.191 0.633 -14.365 1.00 0.00 C ATOM 122 CD2 TYR A 8 1.943 0.717 -13.288 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.442 0.198 -15.584 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.575 0.282 -14.507 1.00 0.00 C ATOM 125 CZ TYR A 8 1.793 0.044 -15.594 1.00 0.00 C ATOM 126 OH TYR A 8 2.390 -0.366 -16.745 1.00 0.00 O ATOM 0 H TYR A 8 -2.063 1.548 -9.922 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.595 -0.232 -12.233 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.533 2.332 -12.108 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.662 1.452 -11.175 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.263 0.763 -14.330 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.540 0.913 -12.410 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.143 -0.001 -16.470 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.645 0.148 -14.557 1.00 0.00 H new ATOM 0 HH TYR A 8 3.358 -0.432 -16.606 1.00 0.00 H new ATOM 136 N ASP A 9 -0.425 -1.778 -10.746 1.00 0.00 N ATOM 137 CA ASP A 9 0.129 -2.761 -9.832 1.00 0.00 C ATOM 138 C ASP A 9 1.646 -2.825 -10.017 1.00 0.00 C ATOM 139 O ASP A 9 2.159 -2.500 -11.087 1.00 0.00 O ATOM 140 CB ASP A 9 -0.440 -4.154 -10.110 1.00 0.00 C ATOM 141 CG ASP A 9 -0.290 -4.637 -11.554 1.00 0.00 C ATOM 142 OD1 ASP A 9 -0.159 -3.831 -12.486 1.00 0.00 O ATOM 143 OD2 ASP A 9 -0.314 -5.918 -11.706 1.00 0.00 O ATOM 0 H ASP A 9 -0.659 -2.140 -11.671 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.131 -2.461 -8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.052 -4.869 -9.451 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.499 -4.156 -9.850 1.00 0.00 H new ATOM 149 N TYR A 10 2.322 -3.245 -8.958 1.00 0.00 N ATOM 150 CA TYR A 10 3.771 -3.356 -8.990 1.00 0.00 C ATOM 151 C TYR A 10 4.243 -4.600 -8.236 1.00 0.00 C ATOM 152 O TYR A 10 3.872 -4.809 -7.081 1.00 0.00 O ATOM 153 CB TYR A 10 4.305 -2.110 -8.280 1.00 0.00 C ATOM 154 CG TYR A 10 5.751 -1.761 -8.639 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.035 -1.146 -9.841 1.00 0.00 C ATOM 156 CD2 TYR A 10 6.771 -2.061 -7.760 1.00 0.00 C ATOM 157 CE1 TYR A 10 7.395 -0.817 -10.179 1.00 0.00 C ATOM 158 CE2 TYR A 10 8.132 -1.732 -8.097 1.00 0.00 C ATOM 159 CZ TYR A 10 8.377 -1.126 -9.290 1.00 0.00 C ATOM 160 OH TYR A 10 9.662 -0.816 -9.609 1.00 0.00 O ATOM 0 H TYR A 10 1.893 -3.513 -8.072 1.00 0.00 H new ATOM 0 HA TYR A 10 4.127 -3.437 -10.017 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.666 -1.262 -8.526 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.235 -2.260 -7.203 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.236 -0.911 -10.529 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.549 -2.543 -6.819 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.630 -0.336 -11.117 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.940 -1.961 -7.418 1.00 0.00 H new ATOM 0 HH TYR A 10 10.256 -1.094 -8.881 1.00 0.00 H new ATOM 170 N GLU A 11 5.055 -5.394 -8.917 1.00 0.00 N ATOM 171 CA GLU A 11 5.583 -6.612 -8.325 1.00 0.00 C ATOM 172 C GLU A 11 6.925 -6.333 -7.645 1.00 0.00 C ATOM 173 O GLU A 11 7.596 -5.355 -7.966 1.00 0.00 O ATOM 174 CB GLU A 11 5.718 -7.717 -9.374 1.00 0.00 C ATOM 175 CG GLU A 11 4.389 -7.955 -10.095 1.00 0.00 C ATOM 176 CD GLU A 11 4.260 -7.045 -11.319 1.00 0.00 C ATOM 177 OE1 GLU A 11 5.138 -6.205 -11.563 1.00 0.00 O ATOM 178 OE2 GLU A 11 3.201 -7.237 -12.031 1.00 0.00 O ATOM 0 H GLU A 11 5.361 -5.218 -9.874 1.00 0.00 H new ATOM 0 HA GLU A 11 4.880 -6.960 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.485 -7.444 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.046 -8.640 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.320 -8.998 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.561 -7.770 -9.410 1.00 0.00 H new ATOM 186 N ALA A 12 7.276 -7.214 -6.719 1.00 0.00 N ATOM 187 CA ALA A 12 8.526 -7.075 -5.992 1.00 0.00 C ATOM 188 C ALA A 12 9.298 -8.395 -6.057 1.00 0.00 C ATOM 189 O ALA A 12 9.018 -9.240 -6.905 1.00 0.00 O ATOM 190 CB ALA A 12 8.234 -6.641 -4.554 1.00 0.00 C ATOM 0 H ALA A 12 6.717 -8.026 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 12 9.150 -6.305 -6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.172 -6.537 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.710 -5.685 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.612 -7.392 -4.067 1.00 0.00 H new ATOM 196 N ARG A 13 10.254 -8.530 -5.149 1.00 0.00 N ATOM 197 CA ARG A 13 11.068 -9.732 -5.093 1.00 0.00 C ATOM 198 C ARG A 13 11.788 -9.822 -3.746 1.00 0.00 C ATOM 199 O ARG A 13 12.996 -10.054 -3.699 1.00 0.00 O ATOM 200 CB ARG A 13 12.103 -9.750 -6.220 1.00 0.00 C ATOM 201 CG ARG A 13 12.236 -11.150 -6.820 1.00 0.00 C ATOM 202 CD ARG A 13 13.695 -11.613 -6.814 1.00 0.00 C ATOM 203 NE ARG A 13 14.379 -11.150 -8.042 1.00 0.00 N ATOM 204 CZ ARG A 13 14.358 -11.816 -9.216 1.00 0.00 C ATOM 205 NH1 ARG A 13 13.688 -12.982 -9.331 1.00 0.00 N ATOM 206 NH2 ARG A 13 15.005 -11.310 -10.249 1.00 0.00 N ATOM 0 H ARG A 13 10.483 -7.827 -4.446 1.00 0.00 H new ATOM 0 HA ARG A 13 10.404 -10.588 -5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.812 -9.044 -6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.069 -9.422 -5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.626 -11.852 -6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.855 -11.150 -7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.206 -11.222 -5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.740 -12.700 -6.751 1.00 0.00 H new ATOM 0 HE ARG A 13 14.899 -10.273 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.192 -13.367 -8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.678 -13.478 -10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.510 -10.429 -10.153 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.000 -11.800 -11.144 1.00 0.00 H new ATOM 219 N THR A 14 11.018 -9.636 -2.685 1.00 0.00 N ATOM 220 CA THR A 14 11.568 -9.694 -1.342 1.00 0.00 C ATOM 221 C THR A 14 10.749 -10.649 -0.472 1.00 0.00 C ATOM 222 O THR A 14 9.676 -11.095 -0.873 1.00 0.00 O ATOM 223 CB THR A 14 11.622 -8.267 -0.792 1.00 0.00 C ATOM 224 OG1 THR A 14 11.323 -7.448 -1.919 1.00 0.00 O ATOM 225 CG2 THR A 14 13.039 -7.847 -0.391 1.00 0.00 C ATOM 0 H THR A 14 10.017 -9.445 -2.728 1.00 0.00 H new ATOM 0 HA THR A 14 12.581 -10.095 -1.346 1.00 0.00 H new ATOM 0 HB THR A 14 10.961 -8.186 0.071 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.351 -6.505 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.021 -6.827 -0.007 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.413 -8.519 0.382 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.693 -7.896 -1.262 1.00 0.00 H new ATOM 233 N GLU A 15 11.288 -10.936 0.704 1.00 0.00 N ATOM 234 CA GLU A 15 10.622 -11.832 1.635 1.00 0.00 C ATOM 235 C GLU A 15 9.623 -11.055 2.494 1.00 0.00 C ATOM 236 O GLU A 15 8.534 -11.549 2.787 1.00 0.00 O ATOM 237 CB GLU A 15 11.637 -12.571 2.508 1.00 0.00 C ATOM 238 CG GLU A 15 12.246 -13.757 1.756 1.00 0.00 C ATOM 239 CD GLU A 15 11.330 -14.980 1.829 1.00 0.00 C ATOM 240 OE1 GLU A 15 11.163 -15.567 2.909 1.00 0.00 O ATOM 241 OE2 GLU A 15 10.779 -15.316 0.711 1.00 0.00 O ATOM 0 H GLU A 15 12.179 -10.564 1.034 1.00 0.00 H new ATOM 0 HA GLU A 15 10.075 -12.580 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.427 -11.885 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.151 -12.923 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.413 -13.485 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.219 -14.001 2.181 1.00 0.00 H new ATOM 249 N ASP A 16 10.027 -9.852 2.875 1.00 0.00 N ATOM 250 CA ASP A 16 9.181 -9.002 3.695 1.00 0.00 C ATOM 251 C ASP A 16 8.006 -8.496 2.855 1.00 0.00 C ATOM 252 O ASP A 16 6.861 -8.878 3.089 1.00 0.00 O ATOM 253 CB ASP A 16 9.954 -7.785 4.208 1.00 0.00 C ATOM 254 CG ASP A 16 9.330 -7.086 5.417 1.00 0.00 C ATOM 255 OD1 ASP A 16 8.127 -7.224 5.685 1.00 0.00 O ATOM 256 OD2 ASP A 16 10.144 -6.362 6.109 1.00 0.00 O ATOM 0 H ASP A 16 10.930 -9.446 2.631 1.00 0.00 H new ATOM 0 HA ASP A 16 8.833 -9.591 4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.964 -8.099 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.045 -7.063 3.397 1.00 0.00 H new ATOM 262 N ASP A 17 8.332 -7.643 1.895 1.00 0.00 N ATOM 263 CA ASP A 17 7.318 -7.081 1.018 1.00 0.00 C ATOM 264 C ASP A 17 7.046 -8.055 -0.130 1.00 0.00 C ATOM 265 O ASP A 17 7.961 -8.714 -0.619 1.00 0.00 O ATOM 266 CB ASP A 17 7.786 -5.756 0.414 1.00 0.00 C ATOM 267 CG ASP A 17 9.219 -5.761 -0.123 1.00 0.00 C ATOM 268 OD1 ASP A 17 10.159 -6.176 0.571 1.00 0.00 O ATOM 269 OD2 ASP A 17 9.352 -5.306 -1.323 1.00 0.00 O ATOM 0 H ASP A 17 9.283 -7.327 1.705 1.00 0.00 H new ATOM 0 HA ASP A 17 6.418 -6.910 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.111 -5.485 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.701 -4.978 1.173 1.00 0.00 H new ATOM 275 N LEU A 18 5.783 -8.113 -0.527 1.00 0.00 N ATOM 276 CA LEU A 18 5.379 -8.995 -1.609 1.00 0.00 C ATOM 277 C LEU A 18 4.906 -8.154 -2.797 1.00 0.00 C ATOM 278 O LEU A 18 5.237 -6.974 -2.897 1.00 0.00 O ATOM 279 CB LEU A 18 4.339 -10.005 -1.117 1.00 0.00 C ATOM 280 CG LEU A 18 3.157 -9.424 -0.340 1.00 0.00 C ATOM 281 CD1 LEU A 18 1.827 -9.831 -0.979 1.00 0.00 C ATOM 282 CD2 LEU A 18 3.226 -9.817 1.137 1.00 0.00 C ATOM 0 H LEU A 18 5.026 -7.564 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 18 6.226 -9.587 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.951 -10.546 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.842 -10.735 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 18 3.218 -8.337 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.003 -9.405 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.787 -9.461 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.742 -10.918 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.374 -9.391 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.203 -10.903 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.151 -9.437 1.572 1.00 0.00 H new ATOM 294 N SER A 19 4.139 -8.796 -3.667 1.00 0.00 N ATOM 295 CA SER A 19 3.618 -8.121 -4.844 1.00 0.00 C ATOM 296 C SER A 19 2.218 -7.575 -4.557 1.00 0.00 C ATOM 297 O SER A 19 1.522 -8.076 -3.675 1.00 0.00 O ATOM 298 CB SER A 19 3.583 -9.064 -6.048 1.00 0.00 C ATOM 299 OG SER A 19 2.270 -9.554 -6.305 1.00 0.00 O ATOM 0 H SER A 19 3.866 -9.775 -3.580 1.00 0.00 H new ATOM 0 HA SER A 19 4.282 -7.291 -5.085 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.953 -8.540 -6.929 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.255 -9.904 -5.870 1.00 0.00 H new ATOM 0 HG SER A 19 2.290 -10.151 -7.082 1.00 0.00 H new ATOM 305 N PHE A 20 1.847 -6.557 -5.317 1.00 0.00 N ATOM 306 CA PHE A 20 0.543 -5.937 -5.155 1.00 0.00 C ATOM 307 C PHE A 20 -0.129 -5.711 -6.511 1.00 0.00 C ATOM 308 O PHE A 20 0.519 -5.281 -7.465 1.00 0.00 O ATOM 309 CB PHE A 20 0.771 -4.583 -4.480 1.00 0.00 C ATOM 310 CG PHE A 20 0.078 -4.439 -3.125 1.00 0.00 C ATOM 311 CD1 PHE A 20 -1.264 -4.225 -3.066 1.00 0.00 C ATOM 312 CD2 PHE A 20 0.803 -4.525 -1.977 1.00 0.00 C ATOM 313 CE1 PHE A 20 -1.907 -4.091 -1.807 1.00 0.00 C ATOM 314 CE2 PHE A 20 0.160 -4.391 -0.719 1.00 0.00 C ATOM 315 CZ PHE A 20 -1.182 -4.177 -0.661 1.00 0.00 C ATOM 0 H PHE A 20 2.427 -6.145 -6.048 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.104 -6.583 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.842 -4.431 -4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.417 -3.794 -5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.841 -4.157 -3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.868 -4.695 -2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.972 -3.921 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.736 -4.459 0.192 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.672 -4.075 0.296 1.00 0.00 H new ATOM 325 N HIS A 21 -1.418 -6.010 -6.554 1.00 0.00 N ATOM 326 CA HIS A 21 -2.185 -5.845 -7.778 1.00 0.00 C ATOM 327 C HIS A 21 -3.108 -4.631 -7.646 1.00 0.00 C ATOM 328 O HIS A 21 -3.286 -4.099 -6.551 1.00 0.00 O ATOM 329 CB HIS A 21 -2.940 -7.129 -8.124 1.00 0.00 C ATOM 330 CG HIS A 21 -2.265 -7.975 -9.177 1.00 0.00 C ATOM 331 ND1 HIS A 21 -1.169 -8.775 -8.906 1.00 0.00 N ATOM 332 CD2 HIS A 21 -2.542 -8.137 -10.503 1.00 0.00 C ATOM 333 CE1 HIS A 21 -0.810 -9.387 -10.026 1.00 0.00 C ATOM 334 NE2 HIS A 21 -1.662 -8.989 -11.014 1.00 0.00 N ATOM 0 H HIS A 21 -1.952 -6.366 -5.761 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.509 -5.655 -8.612 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.060 -7.723 -7.218 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -3.940 -6.868 -8.469 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.342 -7.654 -11.045 1.00 0.00 H new ATOM 0 HE1 HIS A 21 0.012 -10.079 -10.137 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -1.628 -9.296 -11.986 1.00 0.00 H new ATOM 342 N LYS A 22 -3.669 -4.230 -8.777 1.00 0.00 N ATOM 343 CA LYS A 22 -4.569 -3.089 -8.801 1.00 0.00 C ATOM 344 C LYS A 22 -5.975 -3.546 -8.407 1.00 0.00 C ATOM 345 O LYS A 22 -6.368 -4.675 -8.694 1.00 0.00 O ATOM 346 CB LYS A 22 -4.509 -2.387 -10.160 1.00 0.00 C ATOM 347 CG LYS A 22 -5.114 -3.265 -11.257 1.00 0.00 C ATOM 348 CD LYS A 22 -6.251 -2.536 -11.976 1.00 0.00 C ATOM 349 CE LYS A 22 -6.122 -2.683 -13.493 1.00 0.00 C ATOM 350 NZ LYS A 22 -5.314 -1.578 -14.054 1.00 0.00 N ATOM 0 H LYS A 22 -3.518 -4.674 -9.683 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.258 -2.343 -8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.047 -1.440 -10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.474 -2.152 -10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.342 -3.540 -11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.489 -4.191 -10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.210 -2.937 -11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.239 -1.480 -11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.658 -3.639 -13.733 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.112 -2.686 -13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.236 -1.693 -15.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.773 -0.669 -13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.364 -1.593 -13.631 1.00 0.00 H new ATOM 363 N GLY A 23 -6.695 -2.644 -7.754 1.00 0.00 N ATOM 364 CA GLY A 23 -8.048 -2.940 -7.318 1.00 0.00 C ATOM 365 C GLY A 23 -8.056 -3.482 -5.887 1.00 0.00 C ATOM 366 O GLY A 23 -8.666 -4.515 -5.615 1.00 0.00 O ATOM 0 H GLY A 23 -6.366 -1.708 -7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.657 -2.038 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.499 -3.670 -7.990 1.00 0.00 H new ATOM 370 N GLU A 24 -7.373 -2.761 -5.011 1.00 0.00 N ATOM 371 CA GLU A 24 -7.293 -3.157 -3.615 1.00 0.00 C ATOM 372 C GLU A 24 -7.603 -1.965 -2.707 1.00 0.00 C ATOM 373 O GLU A 24 -7.799 -0.850 -3.186 1.00 0.00 O ATOM 374 CB GLU A 24 -5.921 -3.752 -3.290 1.00 0.00 C ATOM 375 CG GLU A 24 -6.057 -5.157 -2.699 1.00 0.00 C ATOM 376 CD GLU A 24 -6.495 -6.160 -3.769 1.00 0.00 C ATOM 377 OE1 GLU A 24 -7.675 -6.535 -3.822 1.00 0.00 O ATOM 378 OE2 GLU A 24 -5.558 -6.551 -4.565 1.00 0.00 O ATOM 0 H GLU A 24 -6.869 -1.904 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.039 -3.931 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.315 -3.792 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.399 -3.106 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.105 -5.469 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.784 -5.145 -1.887 1.00 0.00 H new ATOM 386 N LYS A 25 -7.639 -2.243 -1.412 1.00 0.00 N ATOM 387 CA LYS A 25 -7.922 -1.208 -0.432 1.00 0.00 C ATOM 388 C LYS A 25 -6.629 -0.835 0.297 1.00 0.00 C ATOM 389 O LYS A 25 -5.670 -1.604 0.300 1.00 0.00 O ATOM 390 CB LYS A 25 -9.050 -1.649 0.503 1.00 0.00 C ATOM 391 CG LYS A 25 -10.372 -1.779 -0.256 1.00 0.00 C ATOM 392 CD LYS A 25 -11.120 -3.048 0.157 1.00 0.00 C ATOM 393 CE LYS A 25 -11.466 -3.903 -1.064 1.00 0.00 C ATOM 394 NZ LYS A 25 -12.558 -4.848 -0.742 1.00 0.00 N ATOM 0 H LYS A 25 -7.477 -3.170 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.283 -0.305 -0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.794 -2.604 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.160 -0.926 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.995 -0.906 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.179 -1.799 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.508 -3.626 0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.033 -2.779 0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.765 -3.261 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.584 -4.454 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.827 -5.373 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.235 -5.516 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.381 -4.320 -0.387 1.00 0.00 H new ATOM 407 N PHE A 26 -6.647 0.347 0.898 1.00 0.00 N ATOM 408 CA PHE A 26 -5.489 0.831 1.629 1.00 0.00 C ATOM 409 C PHE A 26 -5.913 1.694 2.818 1.00 0.00 C ATOM 410 O PHE A 26 -6.892 2.434 2.736 1.00 0.00 O ATOM 411 CB PHE A 26 -4.674 1.688 0.658 1.00 0.00 C ATOM 412 CG PHE A 26 -3.948 0.884 -0.423 1.00 0.00 C ATOM 413 CD1 PHE A 26 -2.858 0.139 -0.100 1.00 0.00 C ATOM 414 CD2 PHE A 26 -4.394 0.916 -1.708 1.00 0.00 C ATOM 415 CE1 PHE A 26 -2.184 -0.607 -1.102 1.00 0.00 C ATOM 416 CE2 PHE A 26 -3.720 0.170 -2.711 1.00 0.00 C ATOM 417 CZ PHE A 26 -2.629 -0.576 -2.388 1.00 0.00 C ATOM 0 H PHE A 26 -7.445 0.982 0.893 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.912 -0.011 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.339 2.406 0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.940 2.262 1.224 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.504 0.115 0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.260 1.508 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.318 -1.199 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.074 0.195 -3.731 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.117 -1.143 -3.151 1.00 0.00 H new ATOM 427 N GLN A 27 -5.155 1.569 3.899 1.00 0.00 N ATOM 428 CA GLN A 27 -5.441 2.328 5.105 1.00 0.00 C ATOM 429 C GLN A 27 -4.144 2.871 5.709 1.00 0.00 C ATOM 430 O GLN A 27 -3.142 2.160 5.778 1.00 0.00 O ATOM 431 CB GLN A 27 -6.205 1.477 6.120 1.00 0.00 C ATOM 432 CG GLN A 27 -7.707 1.765 6.057 1.00 0.00 C ATOM 433 CD GLN A 27 -8.200 2.400 7.358 1.00 0.00 C ATOM 434 OE1 GLN A 27 -9.246 2.064 7.887 1.00 0.00 O ATOM 435 NE2 GLN A 27 -7.388 3.337 7.843 1.00 0.00 N ATOM 0 H GLN A 27 -4.344 0.954 3.964 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.076 3.173 4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.025 0.420 5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.834 1.681 7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.918 2.431 5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.251 0.839 5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.526 3.570 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.628 3.822 8.708 1.00 0.00 H new ATOM 444 N ILE A 28 -4.205 4.125 6.133 1.00 0.00 N ATOM 445 CA ILE A 28 -3.049 4.770 6.730 1.00 0.00 C ATOM 446 C ILE A 28 -2.900 4.302 8.178 1.00 0.00 C ATOM 447 O ILE A 28 -3.884 4.205 8.908 1.00 0.00 O ATOM 448 CB ILE A 28 -3.149 6.291 6.583 1.00 0.00 C ATOM 449 CG1 ILE A 28 -2.021 6.990 7.344 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.528 6.794 7.011 1.00 0.00 C ATOM 451 CD1 ILE A 28 -0.770 7.120 6.474 1.00 0.00 C ATOM 0 H ILE A 28 -5.038 4.711 6.075 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.138 4.480 6.206 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.029 6.541 5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.351 7.979 7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.783 6.427 8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.572 7.877 6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.293 6.332 6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.703 6.532 8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.016 7.620 7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.428 6.128 6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.005 7.704 5.584 1.00 0.00 H new ATOM 463 N LEU A 29 -1.659 4.022 8.551 1.00 0.00 N ATOM 464 CA LEU A 29 -1.367 3.565 9.898 1.00 0.00 C ATOM 465 C LEU A 29 -0.098 4.254 10.403 1.00 0.00 C ATOM 466 O LEU A 29 -0.144 5.022 11.363 1.00 0.00 O ATOM 467 CB LEU A 29 -1.296 2.037 9.943 1.00 0.00 C ATOM 468 CG LEU A 29 -2.638 1.306 10.021 1.00 0.00 C ATOM 469 CD1 LEU A 29 -2.494 -0.152 9.580 1.00 0.00 C ATOM 470 CD2 LEU A 29 -3.247 1.424 11.421 1.00 0.00 C ATOM 0 H LEU A 29 -0.844 4.103 7.943 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.173 3.844 10.577 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.767 1.691 9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.695 1.746 10.805 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.329 1.786 9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.462 -0.649 9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.136 -0.187 8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.781 -0.660 10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.200 0.896 11.449 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.567 0.985 12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.408 2.475 11.660 1.00 0.00 H new ATOM 482 N ASN A 30 1.005 3.956 9.733 1.00 0.00 N ATOM 483 CA ASN A 30 2.286 4.537 10.101 1.00 0.00 C ATOM 484 C ASN A 30 2.451 5.883 9.393 1.00 0.00 C ATOM 485 O ASN A 30 1.769 6.158 8.408 1.00 0.00 O ATOM 486 CB ASN A 30 3.444 3.632 9.675 1.00 0.00 C ATOM 487 CG ASN A 30 4.589 3.694 10.688 1.00 0.00 C ATOM 488 OD1 ASN A 30 5.753 3.801 10.342 1.00 0.00 O ATOM 489 ND2 ASN A 30 4.193 3.619 11.956 1.00 0.00 N ATOM 0 H ASN A 30 1.039 3.319 8.937 1.00 0.00 H new ATOM 0 HA ASN A 30 2.304 4.658 11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.092 2.605 9.581 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.806 3.936 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.881 3.650 12.708 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.201 3.530 12.176 1.00 0.00 H new ATOM 496 N SER A 31 3.362 6.686 9.924 1.00 0.00 N ATOM 497 CA SER A 31 3.626 7.997 9.356 1.00 0.00 C ATOM 498 C SER A 31 5.025 8.469 9.758 1.00 0.00 C ATOM 499 O SER A 31 5.170 9.299 10.654 1.00 0.00 O ATOM 500 CB SER A 31 2.574 9.014 9.804 1.00 0.00 C ATOM 501 OG SER A 31 2.072 9.779 8.711 1.00 0.00 O ATOM 0 H SER A 31 3.926 6.454 10.741 1.00 0.00 H new ATOM 0 HA SER A 31 3.574 7.916 8.270 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.750 8.493 10.291 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.010 9.684 10.546 1.00 0.00 H new ATOM 0 HG SER A 31 1.402 10.415 9.037 1.00 0.00 H new ATOM 507 N SER A 32 6.018 7.919 9.074 1.00 0.00 N ATOM 508 CA SER A 32 7.401 8.274 9.348 1.00 0.00 C ATOM 509 C SER A 32 7.749 9.594 8.657 1.00 0.00 C ATOM 510 O SER A 32 7.534 10.668 9.219 1.00 0.00 O ATOM 511 CB SER A 32 8.354 7.168 8.890 1.00 0.00 C ATOM 512 OG SER A 32 7.735 5.885 8.920 1.00 0.00 O ATOM 0 H SER A 32 5.893 7.231 8.331 1.00 0.00 H new ATOM 0 HA SER A 32 7.517 8.394 10.425 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.698 7.381 7.878 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.236 7.160 9.531 1.00 0.00 H new ATOM 0 HG SER A 32 8.375 5.206 8.619 1.00 0.00 H new ATOM 518 N GLU A 33 8.280 9.472 7.450 1.00 0.00 N ATOM 519 CA GLU A 33 8.660 10.642 6.677 1.00 0.00 C ATOM 520 C GLU A 33 7.878 10.689 5.364 1.00 0.00 C ATOM 521 O GLU A 33 7.090 11.606 5.139 1.00 0.00 O ATOM 522 CB GLU A 33 10.169 10.661 6.418 1.00 0.00 C ATOM 523 CG GLU A 33 10.847 11.778 7.212 1.00 0.00 C ATOM 524 CD GLU A 33 12.184 11.307 7.790 1.00 0.00 C ATOM 525 OE1 GLU A 33 12.588 10.159 7.556 1.00 0.00 O ATOM 526 OE2 GLU A 33 12.807 12.181 8.504 1.00 0.00 O ATOM 0 H GLU A 33 8.456 8.580 6.988 1.00 0.00 H new ATOM 0 HA GLU A 33 8.412 11.532 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.601 9.699 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.357 10.801 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.010 12.641 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.192 12.104 8.020 1.00 0.00 H new ATOM 534 N GLY A 34 8.121 9.687 4.531 1.00 0.00 N ATOM 535 CA GLY A 34 7.448 9.601 3.246 1.00 0.00 C ATOM 536 C GLY A 34 8.276 8.791 2.246 1.00 0.00 C ATOM 537 O GLY A 34 9.128 9.342 1.550 1.00 0.00 O ATOM 0 H GLY A 34 8.775 8.928 4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.470 9.137 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.276 10.603 2.854 1.00 0.00 H new ATOM 541 N ASP A 35 7.995 7.497 2.207 1.00 0.00 N ATOM 542 CA ASP A 35 8.703 6.606 1.304 1.00 0.00 C ATOM 543 C ASP A 35 7.988 5.254 1.265 1.00 0.00 C ATOM 544 O ASP A 35 7.283 4.948 0.305 1.00 0.00 O ATOM 545 CB ASP A 35 10.139 6.368 1.778 1.00 0.00 C ATOM 546 CG ASP A 35 11.173 6.220 0.659 1.00 0.00 C ATOM 547 OD1 ASP A 35 11.626 7.215 0.074 1.00 0.00 O ATOM 548 OD2 ASP A 35 11.517 5.007 0.392 1.00 0.00 O ATOM 0 H ASP A 35 7.287 7.045 2.786 1.00 0.00 H new ATOM 0 HA ASP A 35 8.721 7.070 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.436 7.198 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.159 5.468 2.392 1.00 0.00 H new ATOM 554 N TRP A 36 8.195 4.480 2.320 1.00 0.00 N ATOM 555 CA TRP A 36 7.579 3.168 2.419 1.00 0.00 C ATOM 556 C TRP A 36 6.492 3.235 3.493 1.00 0.00 C ATOM 557 O TRP A 36 6.793 3.270 4.686 1.00 0.00 O ATOM 558 CB TRP A 36 8.628 2.089 2.697 1.00 0.00 C ATOM 559 CG TRP A 36 9.298 1.533 1.439 1.00 0.00 C ATOM 560 CD1 TRP A 36 8.842 1.563 0.179 1.00 0.00 C ATOM 561 CD2 TRP A 36 10.572 0.858 1.370 1.00 0.00 C ATOM 562 NE1 TRP A 36 9.724 0.959 -0.693 1.00 0.00 N ATOM 563 CE2 TRP A 36 10.809 0.516 0.054 1.00 0.00 C ATOM 564 CE3 TRP A 36 11.493 0.545 2.385 1.00 0.00 C ATOM 565 CZ2 TRP A 36 11.963 -0.154 -0.368 1.00 0.00 C ATOM 566 CZ3 TRP A 36 12.641 -0.126 1.948 1.00 0.00 C ATOM 567 CH2 TRP A 36 12.895 -0.475 0.627 1.00 0.00 C ATOM 0 H TRP A 36 8.781 4.737 3.114 1.00 0.00 H new ATOM 0 HA TRP A 36 7.116 2.887 1.473 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.395 2.503 3.352 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.156 1.269 3.237 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.902 2.005 -0.117 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.602 0.856 -1.700 1.00 0.00 H new ATOM 0 HE3 TRP A 36 11.328 0.802 3.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 12.126 -0.410 -1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.381 -0.391 2.689 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.807 -0.992 0.369 1.00 0.00 H new ATOM 578 N TRP A 37 5.250 3.251 3.032 1.00 0.00 N ATOM 579 CA TRP A 37 4.116 3.314 3.939 1.00 0.00 C ATOM 580 C TRP A 37 3.571 1.895 4.112 1.00 0.00 C ATOM 581 O TRP A 37 3.896 1.002 3.332 1.00 0.00 O ATOM 582 CB TRP A 37 3.063 4.302 3.432 1.00 0.00 C ATOM 583 CG TRP A 37 3.065 5.644 4.167 1.00 0.00 C ATOM 584 CD1 TRP A 37 3.154 5.863 5.486 1.00 0.00 C ATOM 585 CD2 TRP A 37 2.968 6.953 3.566 1.00 0.00 C ATOM 586 NE1 TRP A 37 3.123 7.211 5.778 1.00 0.00 N ATOM 587 CE2 TRP A 37 3.005 7.894 4.574 1.00 0.00 C ATOM 588 CE3 TRP A 37 2.853 7.329 2.216 1.00 0.00 C ATOM 589 CZ2 TRP A 37 2.934 9.273 4.338 1.00 0.00 C ATOM 590 CZ3 TRP A 37 2.782 8.709 1.997 1.00 0.00 C ATOM 591 CH2 TRP A 37 2.819 9.670 3.001 1.00 0.00 C ATOM 0 H TRP A 37 5.004 3.221 2.043 1.00 0.00 H new ATOM 0 HA TRP A 37 4.422 3.691 4.915 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.229 4.481 2.370 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.077 3.848 3.529 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.239 5.082 6.227 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.177 7.629 6.707 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.822 6.609 1.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.966 9.991 5.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.692 9.052 0.977 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.759 10.719 2.750 1.00 0.00 H new ATOM 602 N GLU A 38 2.750 1.732 5.140 1.00 0.00 N ATOM 603 CA GLU A 38 2.156 0.437 5.426 1.00 0.00 C ATOM 604 C GLU A 38 0.992 0.166 4.471 1.00 0.00 C ATOM 605 O GLU A 38 0.577 1.050 3.724 1.00 0.00 O ATOM 606 CB GLU A 38 1.702 0.353 6.884 1.00 0.00 C ATOM 607 CG GLU A 38 1.760 -1.088 7.394 1.00 0.00 C ATOM 608 CD GLU A 38 2.089 -1.129 8.888 1.00 0.00 C ATOM 609 OE1 GLU A 38 1.188 -0.964 9.725 1.00 0.00 O ATOM 610 OE2 GLU A 38 3.329 -1.340 9.168 1.00 0.00 O ATOM 0 H GLU A 38 2.482 2.476 5.785 1.00 0.00 H new ATOM 0 HA GLU A 38 2.913 -0.332 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.336 0.987 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.685 0.734 6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.804 -1.579 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.514 -1.645 6.837 1.00 0.00 H new ATOM 618 N ALA A 39 0.497 -1.063 4.527 1.00 0.00 N ATOM 619 CA ALA A 39 -0.611 -1.463 3.677 1.00 0.00 C ATOM 620 C ALA A 39 -1.582 -2.326 4.485 1.00 0.00 C ATOM 621 O ALA A 39 -1.219 -3.404 4.951 1.00 0.00 O ATOM 622 CB ALA A 39 -0.072 -2.190 2.444 1.00 0.00 C ATOM 0 H ALA A 39 0.844 -1.794 5.148 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.160 -0.589 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.903 -2.490 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.589 -1.524 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.483 -3.074 2.757 1.00 0.00 H new ATOM 628 N ARG A 40 -2.798 -1.818 4.626 1.00 0.00 N ATOM 629 CA ARG A 40 -3.824 -2.528 5.370 1.00 0.00 C ATOM 630 C ARG A 40 -5.088 -2.678 4.520 1.00 0.00 C ATOM 631 O ARG A 40 -5.825 -1.714 4.324 1.00 0.00 O ATOM 632 CB ARG A 40 -4.173 -1.795 6.666 1.00 0.00 C ATOM 633 CG ARG A 40 -4.981 -2.692 7.604 1.00 0.00 C ATOM 634 CD ARG A 40 -4.241 -2.914 8.925 1.00 0.00 C ATOM 635 NE ARG A 40 -3.533 -4.213 8.895 1.00 0.00 N ATOM 636 CZ ARG A 40 -2.194 -4.343 8.784 1.00 0.00 C ATOM 637 NH1 ARG A 40 -1.405 -3.251 8.691 1.00 0.00 N ATOM 638 NH2 ARG A 40 -1.666 -5.553 8.767 1.00 0.00 N ATOM 0 H ARG A 40 -3.095 -0.923 4.237 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.430 -3.513 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.258 -1.474 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.744 -0.895 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.953 -2.238 7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.169 -3.652 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.529 -2.106 9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.947 -2.894 9.755 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.092 -5.064 8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.820 -2.319 8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.394 -3.358 8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.268 -6.373 8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.656 -5.668 8.684 1.00 0.00 H new ATOM 651 N SER A 41 -5.298 -3.894 4.039 1.00 0.00 N ATOM 652 CA SER A 41 -6.460 -4.183 3.215 1.00 0.00 C ATOM 653 C SER A 41 -7.673 -4.467 4.103 1.00 0.00 C ATOM 654 O SER A 41 -7.527 -4.948 5.225 1.00 0.00 O ATOM 655 CB SER A 41 -6.194 -5.367 2.285 1.00 0.00 C ATOM 656 OG SER A 41 -7.297 -5.624 1.419 1.00 0.00 O ATOM 0 H SER A 41 -4.683 -4.691 4.204 1.00 0.00 H new ATOM 0 HA SER A 41 -6.667 -3.310 2.597 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.304 -5.167 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.986 -6.256 2.880 1.00 0.00 H new ATOM 0 HG SER A 41 -7.087 -6.386 0.840 1.00 0.00 H new ATOM 662 N LEU A 42 -8.844 -4.156 3.566 1.00 0.00 N ATOM 663 CA LEU A 42 -10.082 -4.371 4.295 1.00 0.00 C ATOM 664 C LEU A 42 -10.558 -5.808 4.072 1.00 0.00 C ATOM 665 O LEU A 42 -11.640 -6.184 4.518 1.00 0.00 O ATOM 666 CB LEU A 42 -11.120 -3.313 3.914 1.00 0.00 C ATOM 667 CG LEU A 42 -10.963 -1.947 4.584 1.00 0.00 C ATOM 668 CD1 LEU A 42 -10.522 -0.888 3.572 1.00 0.00 C ATOM 669 CD2 LEU A 42 -12.246 -1.544 5.314 1.00 0.00 C ATOM 0 H LEU A 42 -8.961 -3.757 2.635 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.918 -4.252 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.086 -3.172 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.110 -3.701 4.153 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.176 -2.022 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.418 0.074 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.565 -1.176 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.269 -0.806 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.108 -0.569 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.069 -1.491 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.477 -2.284 6.080 1.00 0.00 H new ATOM 681 N THR A 43 -9.724 -6.572 3.380 1.00 0.00 N ATOM 682 CA THR A 43 -10.047 -7.959 3.092 1.00 0.00 C ATOM 683 C THR A 43 -9.015 -8.890 3.732 1.00 0.00 C ATOM 684 O THR A 43 -9.281 -9.499 4.766 1.00 0.00 O ATOM 685 CB THR A 43 -10.147 -8.115 1.573 1.00 0.00 C ATOM 686 OG1 THR A 43 -10.735 -6.894 1.136 1.00 0.00 O ATOM 687 CG2 THR A 43 -11.159 -9.185 1.160 1.00 0.00 C ATOM 0 H THR A 43 -8.827 -6.257 3.011 1.00 0.00 H new ATOM 0 HA THR A 43 -11.006 -8.241 3.526 1.00 0.00 H new ATOM 0 HB THR A 43 -9.167 -8.367 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.835 -6.909 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.191 -9.255 0.073 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.862 -10.147 1.577 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.146 -8.916 1.535 1.00 0.00 H new ATOM 695 N THR A 44 -7.859 -8.971 3.089 1.00 0.00 N ATOM 696 CA THR A 44 -6.785 -9.817 3.583 1.00 0.00 C ATOM 697 C THR A 44 -6.119 -9.177 4.802 1.00 0.00 C ATOM 698 O THR A 44 -6.231 -9.689 5.915 1.00 0.00 O ATOM 699 CB THR A 44 -5.817 -10.075 2.427 1.00 0.00 C ATOM 700 OG1 THR A 44 -6.548 -10.922 1.544 1.00 0.00 O ATOM 701 CG2 THR A 44 -4.615 -10.923 2.847 1.00 0.00 C ATOM 0 H THR A 44 -7.643 -8.465 2.230 1.00 0.00 H new ATOM 0 HA THR A 44 -7.166 -10.778 3.928 1.00 0.00 H new ATOM 0 HB THR A 44 -5.467 -9.123 2.028 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.994 -11.138 0.765 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.960 -11.076 1.989 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.065 -10.410 3.636 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.962 -11.888 3.215 1.00 0.00 H new ATOM 709 N GLY A 45 -5.442 -8.066 4.552 1.00 0.00 N ATOM 710 CA GLY A 45 -4.758 -7.351 5.615 1.00 0.00 C ATOM 711 C GLY A 45 -3.251 -7.616 5.574 1.00 0.00 C ATOM 712 O GLY A 45 -2.540 -7.327 6.534 1.00 0.00 O ATOM 0 H GLY A 45 -5.353 -7.643 3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.945 -6.282 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.159 -7.658 6.581 1.00 0.00 H new ATOM 716 N GLU A 46 -2.810 -8.163 4.450 1.00 0.00 N ATOM 717 CA GLU A 46 -1.401 -8.470 4.271 1.00 0.00 C ATOM 718 C GLU A 46 -0.592 -7.181 4.121 1.00 0.00 C ATOM 719 O GLU A 46 -0.629 -6.539 3.072 1.00 0.00 O ATOM 720 CB GLU A 46 -1.189 -9.393 3.070 1.00 0.00 C ATOM 721 CG GLU A 46 -0.131 -10.456 3.373 1.00 0.00 C ATOM 722 CD GLU A 46 -0.023 -11.465 2.228 1.00 0.00 C ATOM 723 OE1 GLU A 46 -0.969 -11.611 1.440 1.00 0.00 O ATOM 724 OE2 GLU A 46 1.093 -12.109 2.174 1.00 0.00 O ATOM 0 H GLU A 46 -3.403 -8.401 3.655 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.049 -8.996 5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.130 -9.876 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.881 -8.805 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.835 -9.977 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.386 -10.975 4.297 1.00 0.00 H new ATOM 732 N THR A 47 0.121 -6.840 5.184 1.00 0.00 N ATOM 733 CA THR A 47 0.939 -5.638 5.183 1.00 0.00 C ATOM 734 C THR A 47 2.266 -5.897 4.468 1.00 0.00 C ATOM 735 O THR A 47 2.727 -7.036 4.397 1.00 0.00 O ATOM 736 CB THR A 47 1.110 -5.182 6.634 1.00 0.00 C ATOM 737 OG1 THR A 47 1.973 -4.053 6.543 1.00 0.00 O ATOM 738 CG2 THR A 47 1.899 -6.188 7.475 1.00 0.00 C ATOM 0 H THR A 47 0.150 -7.375 6.052 1.00 0.00 H new ATOM 0 HA THR A 47 0.458 -4.833 4.628 1.00 0.00 H new ATOM 0 HB THR A 47 0.129 -5.024 7.083 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.264 -3.790 7.441 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.991 -5.816 8.495 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.376 -7.144 7.483 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.892 -6.321 7.046 1.00 0.00 H new ATOM 746 N GLY A 48 2.844 -4.820 3.954 1.00 0.00 N ATOM 747 CA GLY A 48 4.109 -4.917 3.246 1.00 0.00 C ATOM 748 C GLY A 48 4.764 -3.541 3.106 1.00 0.00 C ATOM 749 O GLY A 48 4.183 -2.530 3.496 1.00 0.00 O ATOM 0 H GLY A 48 2.460 -3.877 4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.779 -5.590 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.945 -5.348 2.258 1.00 0.00 H new ATOM 753 N TYR A 49 5.965 -3.548 2.546 1.00 0.00 N ATOM 754 CA TYR A 49 6.705 -2.313 2.349 1.00 0.00 C ATOM 755 C TYR A 49 6.772 -1.945 0.865 1.00 0.00 C ATOM 756 O TYR A 49 7.707 -2.334 0.167 1.00 0.00 O ATOM 757 CB TYR A 49 8.122 -2.584 2.859 1.00 0.00 C ATOM 758 CG TYR A 49 8.243 -2.596 4.384 1.00 0.00 C ATOM 759 CD1 TYR A 49 7.745 -3.661 5.107 1.00 0.00 C ATOM 760 CD2 TYR A 49 8.849 -1.542 5.036 1.00 0.00 C ATOM 761 CE1 TYR A 49 7.860 -3.672 6.543 1.00 0.00 C ATOM 762 CE2 TYR A 49 8.963 -1.552 6.471 1.00 0.00 C ATOM 763 CZ TYR A 49 8.462 -2.618 7.154 1.00 0.00 C ATOM 764 OH TYR A 49 8.570 -2.628 8.510 1.00 0.00 O ATOM 0 H TYR A 49 6.444 -4.389 2.223 1.00 0.00 H new ATOM 0 HA TYR A 49 6.222 -1.489 2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.459 -3.545 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.793 -1.825 2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.269 -4.485 4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.238 -0.709 4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.476 -4.500 7.121 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.435 -0.733 6.994 1.00 0.00 H new ATOM 0 HH TYR A 49 9.023 -1.812 8.808 1.00 0.00 H new ATOM 774 N ILE A 50 5.769 -1.199 0.428 1.00 0.00 N ATOM 775 CA ILE A 50 5.701 -0.774 -0.960 1.00 0.00 C ATOM 776 C ILE A 50 5.285 0.697 -1.019 1.00 0.00 C ATOM 777 O ILE A 50 4.579 1.181 -0.135 1.00 0.00 O ATOM 778 CB ILE A 50 4.789 -1.704 -1.762 1.00 0.00 C ATOM 779 CG1 ILE A 50 3.669 -2.265 -0.883 1.00 0.00 C ATOM 780 CG2 ILE A 50 5.596 -2.813 -2.440 1.00 0.00 C ATOM 781 CD1 ILE A 50 2.403 -1.413 -0.996 1.00 0.00 C ATOM 0 H ILE A 50 4.996 -0.878 1.011 1.00 0.00 H new ATOM 0 HA ILE A 50 6.682 -0.847 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 50 4.317 -1.121 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.449 -3.291 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.999 -2.297 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.924 -3.460 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.326 -2.370 -3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.115 -3.401 -1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.623 -1.834 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.620 -0.394 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.062 -1.403 -2.031 1.00 0.00 H new ATOM 793 N PRO A 51 5.751 1.384 -2.096 1.00 0.00 N ATOM 794 CA PRO A 51 5.433 2.790 -2.281 1.00 0.00 C ATOM 795 C PRO A 51 4.060 2.961 -2.934 1.00 0.00 C ATOM 796 O PRO A 51 3.899 2.704 -4.126 1.00 0.00 O ATOM 797 CB PRO A 51 6.567 3.340 -3.131 1.00 0.00 C ATOM 798 CG PRO A 51 7.229 2.133 -3.776 1.00 0.00 C ATOM 799 CD PRO A 51 6.734 0.890 -3.055 1.00 0.00 C ATOM 0 HA PRO A 51 5.359 3.332 -1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.190 4.029 -3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.279 3.896 -2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.982 2.083 -4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.314 2.209 -3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.286 0.181 -3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.551 0.372 -2.553 1.00 0.00 H new ATOM 807 N SER A 52 3.105 3.394 -2.125 1.00 0.00 N ATOM 808 CA SER A 52 1.751 3.602 -2.608 1.00 0.00 C ATOM 809 C SER A 52 1.499 5.094 -2.832 1.00 0.00 C ATOM 810 O SER A 52 0.404 5.588 -2.568 1.00 0.00 O ATOM 811 CB SER A 52 0.722 3.030 -1.631 1.00 0.00 C ATOM 812 OG SER A 52 -0.579 2.955 -2.207 1.00 0.00 O ATOM 0 H SER A 52 3.242 3.607 -1.137 1.00 0.00 H new ATOM 0 HA SER A 52 1.642 3.075 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.036 2.035 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.687 3.652 -0.737 1.00 0.00 H new ATOM 0 HG SER A 52 -0.833 3.834 -2.557 1.00 0.00 H new ATOM 818 N ASN A 53 2.530 5.770 -3.317 1.00 0.00 N ATOM 819 CA ASN A 53 2.435 7.196 -3.579 1.00 0.00 C ATOM 820 C ASN A 53 1.984 7.415 -5.024 1.00 0.00 C ATOM 821 O ASN A 53 1.994 8.542 -5.517 1.00 0.00 O ATOM 822 CB ASN A 53 3.790 7.882 -3.396 1.00 0.00 C ATOM 823 CG ASN A 53 3.613 9.362 -3.053 1.00 0.00 C ATOM 824 OD1 ASN A 53 2.633 9.775 -2.455 1.00 0.00 O ATOM 825 ND2 ASN A 53 4.614 10.136 -3.464 1.00 0.00 N ATOM 0 H ASN A 53 3.436 5.356 -3.536 1.00 0.00 H new ATOM 0 HA ASN A 53 1.719 7.621 -2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.349 7.385 -2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.377 7.784 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.590 11.140 -3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.405 9.726 -3.960 1.00 0.00 H new ATOM 832 N TYR A 54 1.600 6.320 -5.663 1.00 0.00 N ATOM 833 CA TYR A 54 1.146 6.379 -7.042 1.00 0.00 C ATOM 834 C TYR A 54 -0.382 6.415 -7.117 1.00 0.00 C ATOM 835 O TYR A 54 -0.961 6.186 -8.177 1.00 0.00 O ATOM 836 CB TYR A 54 1.647 5.093 -7.705 1.00 0.00 C ATOM 837 CG TYR A 54 2.916 5.278 -8.541 1.00 0.00 C ATOM 838 CD1 TYR A 54 3.047 6.380 -9.361 1.00 0.00 C ATOM 839 CD2 TYR A 54 3.927 4.342 -8.473 1.00 0.00 C ATOM 840 CE1 TYR A 54 4.241 6.552 -10.148 1.00 0.00 C ATOM 841 CE2 TYR A 54 5.122 4.515 -9.259 1.00 0.00 C ATOM 842 CZ TYR A 54 5.219 5.612 -10.058 1.00 0.00 C ATOM 843 OH TYR A 54 6.347 5.775 -10.800 1.00 0.00 O ATOM 0 H TYR A 54 1.594 5.387 -5.251 1.00 0.00 H new ATOM 0 HA TYR A 54 1.522 7.277 -7.532 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.839 4.349 -6.932 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.858 4.694 -8.343 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.255 7.113 -9.413 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.823 3.480 -7.831 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.357 7.409 -10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.922 3.791 -9.215 1.00 0.00 H new ATOM 0 HH TYR A 54 6.959 5.028 -10.634 1.00 0.00 H new ATOM 853 N VAL A 55 -0.991 6.705 -5.977 1.00 0.00 N ATOM 854 CA VAL A 55 -2.440 6.774 -5.899 1.00 0.00 C ATOM 855 C VAL A 55 -2.863 8.218 -5.621 1.00 0.00 C ATOM 856 O VAL A 55 -2.029 9.061 -5.293 1.00 0.00 O ATOM 857 CB VAL A 55 -2.955 5.788 -4.849 1.00 0.00 C ATOM 858 CG1 VAL A 55 -2.497 4.363 -5.164 1.00 0.00 C ATOM 859 CG2 VAL A 55 -2.519 6.207 -3.443 1.00 0.00 C ATOM 0 H VAL A 55 -0.507 6.895 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.888 6.481 -6.848 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.044 5.804 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.877 3.682 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.880 4.065 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.408 4.325 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.898 5.489 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.431 6.234 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.917 7.196 -3.218 1.00 0.00 H new ATOM 869 N ALA A 56 -4.158 8.460 -5.763 1.00 0.00 N ATOM 870 CA ALA A 56 -4.702 9.787 -5.532 1.00 0.00 C ATOM 871 C ALA A 56 -6.042 9.665 -4.806 1.00 0.00 C ATOM 872 O ALA A 56 -7.037 9.248 -5.398 1.00 0.00 O ATOM 873 CB ALA A 56 -4.826 10.528 -6.865 1.00 0.00 C ATOM 0 H ALA A 56 -4.847 7.759 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.035 10.369 -4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.234 11.524 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.842 10.615 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.490 9.974 -7.529 1.00 0.00 H new ATOM 879 N PRO A 57 -6.027 10.046 -3.501 1.00 0.00 N ATOM 880 CA PRO A 57 -7.228 9.984 -2.688 1.00 0.00 C ATOM 881 C PRO A 57 -8.294 10.952 -3.207 1.00 0.00 C ATOM 882 O PRO A 57 -7.970 11.948 -3.853 1.00 0.00 O ATOM 883 CB PRO A 57 -6.767 10.310 -1.277 1.00 0.00 C ATOM 884 CG PRO A 57 -5.419 10.995 -1.427 1.00 0.00 C ATOM 885 CD PRO A 57 -4.933 10.762 -2.849 1.00 0.00 C ATOM 0 HA PRO A 57 -7.706 9.005 -2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.482 10.961 -0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.681 9.405 -0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.509 12.062 -1.224 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.704 10.593 -0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.719 11.704 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.013 10.177 -2.863 1.00 0.00 H new ATOM 893 N VAL A 58 -9.542 10.626 -2.906 1.00 0.00 N ATOM 894 CA VAL A 58 -10.656 11.454 -3.336 1.00 0.00 C ATOM 895 C VAL A 58 -10.750 12.683 -2.429 1.00 0.00 C ATOM 896 O VAL A 58 -10.829 12.553 -1.208 1.00 0.00 O ATOM 897 CB VAL A 58 -11.944 10.628 -3.360 1.00 0.00 C ATOM 898 CG1 VAL A 58 -13.121 11.462 -3.867 1.00 0.00 C ATOM 899 CG2 VAL A 58 -11.766 9.361 -4.199 1.00 0.00 C ATOM 0 H VAL A 58 -9.807 9.800 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.497 11.811 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.167 10.324 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.024 10.851 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.269 12.320 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -12.911 11.811 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.696 8.792 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -11.507 9.635 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.968 8.752 -3.774 1.00 0.00 H new ATOM 909 N ASP A 59 -10.740 13.847 -3.061 1.00 0.00 N ATOM 910 CA ASP A 59 -10.824 15.098 -2.327 1.00 0.00 C ATOM 911 C ASP A 59 -12.215 15.227 -1.704 1.00 0.00 C ATOM 912 O ASP A 59 -12.378 15.057 -0.498 1.00 0.00 O ATOM 913 CB ASP A 59 -10.607 16.296 -3.254 1.00 0.00 C ATOM 914 CG ASP A 59 -9.196 16.419 -3.831 1.00 0.00 C ATOM 915 OD1 ASP A 59 -9.007 16.896 -4.961 1.00 0.00 O ATOM 916 OD2 ASP A 59 -8.252 15.998 -3.060 1.00 0.00 O ATOM 0 H ASP A 59 -10.675 13.950 -4.074 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.050 15.091 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.316 16.231 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.840 17.208 -2.705 1.00 0.00 H new TER 922 ASP A 59