USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -117:sc= -0.431 (180deg=-2.1) USER MOD Single : A 1 MET N :NH3+ 154:sc= 2.38 (180deg=1.44) USER MOD Single : A 2 ASN : amide:sc= -0.34 K(o=-0.34,f=-3.1!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.539 F(o=-5!,f=-0.54) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.0438 (180deg=-0.265) USER MOD Single : A 10 SER OG : rot 64:sc= 0.378 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 6:sc= -0.838 USER MOD Single : A 19 ASN : amide:sc= -0.524 K(o=-0.52,f=-9.8!) USER MOD Single : A 21 THR OG1 : rot -130:sc=-0.000273 USER MOD Single : A 25 SER OG : rot 74:sc= 0.873 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0552 K(o=-0.055,f=-8.2!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.953 K(o=0.95,f=-3.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.198 -11.097 -2.213 1.00 11.33 N ATOM 2 CA MET A 1 -2.282 -10.639 -1.129 1.00 13.30 C ATOM 3 C MET A 1 -2.842 -9.396 -0.416 1.00 61.42 C ATOM 4 O MET A 1 -3.416 -8.510 -1.054 1.00 33.10 O ATOM 5 CB MET A 1 -0.886 -10.325 -1.700 1.00 44.42 C ATOM 6 CG MET A 1 -0.874 -9.174 -2.701 1.00 61.15 C ATOM 7 SD MET A 1 0.780 -8.724 -3.258 1.00 1.21 S ATOM 8 CE MET A 1 1.243 -10.176 -4.196 1.00 70.01 C ATOM 0 H1 MET A 1 -2.652 -11.609 -2.935 1.00 11.33 H new ATOM 0 H2 MET A 1 -3.921 -11.729 -1.813 1.00 11.33 H new ATOM 0 H3 MET A 1 -3.660 -10.273 -2.648 1.00 11.33 H new ATOM 0 HA MET A 1 -2.199 -11.447 -0.402 1.00 13.30 H new ATOM 0 HB2 MET A 1 -0.213 -10.085 -0.877 1.00 44.42 H new ATOM 0 HB3 MET A 1 -0.492 -11.219 -2.184 1.00 44.42 H new ATOM 0 HG2 MET A 1 -1.478 -9.449 -3.566 1.00 61.15 H new ATOM 0 HG3 MET A 1 -1.346 -8.303 -2.247 1.00 61.15 H new ATOM 0 HE1 MET A 1 2.106 -10.651 -3.729 1.00 70.01 H new ATOM 0 HE2 MET A 1 0.409 -10.878 -4.216 1.00 70.01 H new ATOM 0 HE3 MET A 1 1.497 -9.885 -5.215 1.00 70.01 H new ATOM 20 N ASN A 2 -2.680 -9.341 0.905 1.00 52.11 N ATOM 21 CA ASN A 2 -3.090 -8.173 1.694 1.00 34.24 C ATOM 22 C ASN A 2 -1.961 -7.132 1.742 1.00 21.40 C ATOM 23 O ASN A 2 -0.868 -7.416 2.233 1.00 52.35 O ATOM 24 CB ASN A 2 -3.462 -8.598 3.121 1.00 23.43 C ATOM 25 CG ASN A 2 -4.625 -9.571 3.166 1.00 3.44 C ATOM 26 OD1 ASN A 2 -4.846 -10.355 2.244 1.00 63.02 O ATOM 27 ND2 ASN A 2 -5.381 -9.528 4.241 1.00 75.32 N ATOM 0 H ASN A 2 -2.266 -10.093 1.456 1.00 52.11 H new ATOM 0 HA ASN A 2 -3.962 -7.727 1.216 1.00 34.24 H new ATOM 0 HB2 ASN A 2 -2.594 -9.056 3.596 1.00 23.43 H new ATOM 0 HB3 ASN A 2 -3.714 -7.712 3.704 1.00 23.43 H new ATOM 0 HD21 ASN A 2 -6.179 -10.157 4.329 1.00 75.32 H new ATOM 0 HD22 ASN A 2 -5.169 -8.865 4.987 1.00 75.32 H new ATOM 34 N LEU A 3 -2.220 -5.935 1.221 1.00 54.24 N ATOM 35 CA LEU A 3 -1.203 -4.872 1.176 1.00 1.31 C ATOM 36 C LEU A 3 -1.731 -3.565 1.781 1.00 21.23 C ATOM 37 O LEU A 3 -2.922 -3.427 2.059 1.00 52.24 O ATOM 38 CB LEU A 3 -0.779 -4.607 -0.278 1.00 54.34 C ATOM 39 CG LEU A 3 -0.287 -5.828 -1.069 1.00 52.32 C ATOM 40 CD1 LEU A 3 -0.009 -5.449 -2.523 1.00 52.43 C ATOM 41 CD2 LEU A 3 0.956 -6.427 -0.419 1.00 45.51 C ATOM 0 H LEU A 3 -3.121 -5.671 0.823 1.00 54.24 H new ATOM 0 HA LEU A 3 -0.349 -5.212 1.762 1.00 1.31 H new ATOM 0 HB2 LEU A 3 -1.626 -4.172 -0.809 1.00 54.34 H new ATOM 0 HB3 LEU A 3 0.013 -3.858 -0.274 1.00 54.34 H new ATOM 0 HG LEU A 3 -1.073 -6.583 -1.057 1.00 52.32 H new ATOM 0 HD11 LEU A 3 0.339 -6.327 -3.068 1.00 52.43 H new ATOM 0 HD12 LEU A 3 -0.924 -5.075 -2.983 1.00 52.43 H new ATOM 0 HD13 LEU A 3 0.757 -4.674 -2.557 1.00 52.43 H new ATOM 0 HD21 LEU A 3 1.288 -7.291 -0.995 1.00 45.51 H new ATOM 0 HD22 LEU A 3 1.750 -5.680 -0.395 1.00 45.51 H new ATOM 0 HD23 LEU A 3 0.720 -6.739 0.598 1.00 45.51 H new ATOM 53 N THR A 4 -0.835 -2.606 1.985 1.00 44.01 N ATOM 54 CA THR A 4 -1.230 -1.239 2.340 1.00 51.23 C ATOM 55 C THR A 4 -0.913 -0.294 1.178 1.00 72.33 C ATOM 56 O THR A 4 0.225 0.143 1.007 1.00 34.53 O ATOM 57 CB THR A 4 -0.532 -0.735 3.630 1.00 34.44 C ATOM 58 OG1 THR A 4 -0.902 -1.563 4.745 1.00 2.24 O ATOM 59 CG2 THR A 4 -0.907 0.715 3.932 1.00 14.23 C ATOM 0 H THR A 4 0.173 -2.746 1.912 1.00 44.01 H new ATOM 0 HA THR A 4 -2.302 -1.251 2.536 1.00 51.23 H new ATOM 0 HB THR A 4 0.545 -0.789 3.470 1.00 34.44 H new ATOM 0 HG1 THR A 4 -0.456 -1.239 5.555 1.00 2.24 H new ATOM 0 HG21 THR A 4 -0.402 1.039 4.842 1.00 14.23 H new ATOM 0 HG22 THR A 4 -0.601 1.351 3.101 1.00 14.23 H new ATOM 0 HG23 THR A 4 -1.986 0.791 4.069 1.00 14.23 H new ATOM 67 N VAL A 5 -1.918 -0.016 0.357 1.00 33.53 N ATOM 68 CA VAL A 5 -1.733 0.793 -0.850 1.00 45.34 C ATOM 69 C VAL A 5 -2.204 2.237 -0.631 1.00 54.32 C ATOM 70 O VAL A 5 -3.346 2.472 -0.238 1.00 33.33 O ATOM 71 CB VAL A 5 -2.487 0.177 -2.058 1.00 60.43 C ATOM 72 CG1 VAL A 5 -2.236 0.982 -3.334 1.00 53.41 C ATOM 73 CG2 VAL A 5 -2.085 -1.284 -2.257 1.00 23.33 C ATOM 0 H VAL A 5 -2.875 -0.338 0.502 1.00 33.53 H new ATOM 0 HA VAL A 5 -0.665 0.803 -1.069 1.00 45.34 H new ATOM 0 HB VAL A 5 -3.554 0.215 -1.841 1.00 60.43 H new ATOM 0 HG11 VAL A 5 -2.777 0.527 -4.164 1.00 53.41 H new ATOM 0 HG12 VAL A 5 -2.583 2.006 -3.193 1.00 53.41 H new ATOM 0 HG13 VAL A 5 -1.169 0.988 -3.556 1.00 53.41 H new ATOM 0 HG21 VAL A 5 -2.625 -1.697 -3.109 1.00 23.33 H new ATOM 0 HG22 VAL A 5 -1.013 -1.344 -2.443 1.00 23.33 H new ATOM 0 HG23 VAL A 5 -2.330 -1.854 -1.361 1.00 23.33 H new ATOM 83 N ASN A 6 -1.304 3.195 -0.867 1.00 72.25 N ATOM 84 CA ASN A 6 -1.608 4.630 -0.693 1.00 64.24 C ATOM 85 C ASN A 6 -1.905 4.975 0.777 1.00 42.34 C ATOM 86 O ASN A 6 -2.558 5.981 1.069 1.00 21.43 O ATOM 87 CB ASN A 6 -2.789 5.066 -1.585 1.00 62.34 C ATOM 88 CG ASN A 6 -2.465 5.059 -3.070 1.00 4.20 C ATOM 89 OD1 ASN A 6 -1.659 4.115 -3.513 1.00 53.42 O flip ATOM 90 ND2 ASN A 6 -2.958 5.887 -3.827 1.00 63.25 N flip ATOM 0 H ASN A 6 -0.352 3.008 -1.181 1.00 72.25 H new ATOM 0 HA ASN A 6 -0.718 5.180 -1.000 1.00 64.24 H new ATOM 0 HB2 ASN A 6 -3.635 4.403 -1.403 1.00 62.34 H new ATOM 0 HB3 ASN A 6 -3.102 6.069 -1.295 1.00 62.34 H new ATOM 0 HD21 ASN A 6 -3.579 6.608 -3.460 1.00 63.25 H new ATOM 0 HD22 ASN A 6 -2.747 5.855 -4.825 1.00 63.25 H new ATOM 97 N GLY A 7 -1.387 4.160 1.693 1.00 35.40 N ATOM 98 CA GLY A 7 -1.682 4.328 3.113 1.00 13.34 C ATOM 99 C GLY A 7 -3.002 3.682 3.531 1.00 5.53 C ATOM 100 O GLY A 7 -3.447 3.846 4.665 1.00 13.03 O ATOM 0 H GLY A 7 -0.764 3.381 1.479 1.00 35.40 H new ATOM 0 HA2 GLY A 7 -0.871 3.897 3.700 1.00 13.34 H new ATOM 0 HA3 GLY A 7 -1.714 5.392 3.348 1.00 13.34 H new ATOM 104 N LYS A 8 -3.636 2.954 2.609 1.00 72.21 N ATOM 105 CA LYS A 8 -4.909 2.268 2.880 1.00 1.04 C ATOM 106 C LYS A 8 -4.756 0.747 2.717 1.00 14.41 C ATOM 107 O LYS A 8 -4.298 0.272 1.673 1.00 73.34 O ATOM 108 CB LYS A 8 -6.020 2.774 1.936 1.00 12.30 C ATOM 109 CG LYS A 8 -6.537 4.181 2.251 1.00 73.52 C ATOM 110 CD LYS A 8 -5.518 5.269 1.919 1.00 44.33 C ATOM 111 CE LYS A 8 -6.042 6.662 2.255 1.00 3.21 C ATOM 112 NZ LYS A 8 -6.407 6.787 3.693 1.00 52.45 N ATOM 0 H LYS A 8 -3.288 2.822 1.659 1.00 72.21 H new ATOM 0 HA LYS A 8 -5.189 2.491 3.910 1.00 1.04 H new ATOM 0 HB2 LYS A 8 -5.643 2.761 0.913 1.00 12.30 H new ATOM 0 HB3 LYS A 8 -6.857 2.077 1.976 1.00 12.30 H new ATOM 0 HG2 LYS A 8 -7.453 4.362 1.688 1.00 73.52 H new ATOM 0 HG3 LYS A 8 -6.796 4.241 3.308 1.00 73.52 H new ATOM 0 HD2 LYS A 8 -4.597 5.085 2.472 1.00 44.33 H new ATOM 0 HD3 LYS A 8 -5.268 5.221 0.859 1.00 44.33 H new ATOM 0 HE2 LYS A 8 -5.283 7.405 2.007 1.00 3.21 H new ATOM 0 HE3 LYS A 8 -6.914 6.880 1.639 1.00 3.21 H new ATOM 0 HZ1 LYS A 8 -6.530 7.791 3.934 1.00 52.45 H new ATOM 0 HZ2 LYS A 8 -7.296 6.277 3.871 1.00 52.45 H new ATOM 0 HZ3 LYS A 8 -5.651 6.380 4.280 1.00 52.45 H new ATOM 126 N PRO A 9 -5.141 -0.045 3.743 1.00 53.42 N ATOM 127 CA PRO A 9 -5.085 -1.514 3.670 1.00 71.05 C ATOM 128 C PRO A 9 -5.908 -2.076 2.495 1.00 24.22 C ATOM 129 O PRO A 9 -7.124 -2.265 2.600 1.00 30.32 O ATOM 130 CB PRO A 9 -5.667 -1.970 5.018 1.00 22.24 C ATOM 131 CG PRO A 9 -5.502 -0.794 5.922 1.00 20.52 C ATOM 132 CD PRO A 9 -5.645 0.423 5.046 1.00 32.33 C ATOM 0 HA PRO A 9 -4.071 -1.873 3.495 1.00 71.05 H new ATOM 0 HB2 PRO A 9 -6.716 -2.251 4.921 1.00 22.24 H new ATOM 0 HB3 PRO A 9 -5.138 -2.842 5.403 1.00 22.24 H new ATOM 0 HG2 PRO A 9 -6.255 -0.799 6.710 1.00 20.52 H new ATOM 0 HG3 PRO A 9 -4.528 -0.811 6.411 1.00 20.52 H new ATOM 0 HD2 PRO A 9 -6.681 0.755 4.982 1.00 32.33 H new ATOM 0 HD3 PRO A 9 -5.064 1.264 5.425 1.00 32.33 H new ATOM 140 N SER A 10 -5.233 -2.329 1.376 1.00 15.34 N ATOM 141 CA SER A 10 -5.892 -2.802 0.151 1.00 1.22 C ATOM 142 C SER A 10 -5.461 -4.234 -0.190 1.00 5.03 C ATOM 143 O SER A 10 -4.284 -4.494 -0.440 1.00 64.21 O ATOM 144 CB SER A 10 -5.559 -1.879 -1.029 1.00 14.01 C ATOM 145 OG SER A 10 -5.921 -0.531 -0.761 1.00 42.33 O ATOM 0 H SER A 10 -4.223 -2.215 1.288 1.00 15.34 H new ATOM 0 HA SER A 10 -6.967 -2.790 0.330 1.00 1.22 H new ATOM 0 HB2 SER A 10 -4.492 -1.933 -1.243 1.00 14.01 H new ATOM 0 HB3 SER A 10 -6.081 -2.226 -1.921 1.00 14.01 H new ATOM 0 HG SER A 10 -5.393 -0.194 -0.007 1.00 42.33 H new ATOM 151 N THR A 11 -6.416 -5.155 -0.201 1.00 0.42 N ATOM 152 CA THR A 11 -6.138 -6.554 -0.546 1.00 44.53 C ATOM 153 C THR A 11 -6.458 -6.844 -2.018 1.00 34.53 C ATOM 154 O THR A 11 -7.614 -6.780 -2.438 1.00 71.44 O ATOM 155 CB THR A 11 -6.952 -7.534 0.339 1.00 65.11 C ATOM 156 OG1 THR A 11 -6.582 -7.389 1.721 1.00 74.32 O ATOM 157 CG2 THR A 11 -6.733 -8.982 -0.091 1.00 20.34 C ATOM 0 H THR A 11 -7.392 -4.964 0.024 1.00 0.42 H new ATOM 0 HA THR A 11 -5.073 -6.707 -0.368 1.00 44.53 H new ATOM 0 HB THR A 11 -8.007 -7.288 0.215 1.00 65.11 H new ATOM 0 HG1 THR A 11 -7.105 -8.013 2.267 1.00 74.32 H new ATOM 0 HG21 THR A 11 -7.317 -9.644 0.549 1.00 20.34 H new ATOM 0 HG22 THR A 11 -7.050 -9.106 -1.127 1.00 20.34 H new ATOM 0 HG23 THR A 11 -5.676 -9.232 -0.002 1.00 20.34 H new ATOM 165 N VAL A 12 -5.430 -7.153 -2.799 1.00 1.22 N ATOM 166 CA VAL A 12 -5.618 -7.552 -4.195 1.00 34.22 C ATOM 167 C VAL A 12 -5.700 -9.086 -4.313 1.00 54.42 C ATOM 168 O VAL A 12 -4.771 -9.809 -3.925 1.00 41.45 O ATOM 169 CB VAL A 12 -4.493 -6.990 -5.103 1.00 65.01 C ATOM 170 CG1 VAL A 12 -4.622 -5.472 -5.233 1.00 44.42 C ATOM 171 CG2 VAL A 12 -3.113 -7.365 -4.567 1.00 3.53 C ATOM 0 H VAL A 12 -4.457 -7.136 -2.493 1.00 1.22 H new ATOM 0 HA VAL A 12 -6.561 -7.127 -4.539 1.00 34.22 H new ATOM 0 HB VAL A 12 -4.602 -7.437 -6.091 1.00 65.01 H new ATOM 0 HG11 VAL A 12 -3.825 -5.093 -5.873 1.00 44.42 H new ATOM 0 HG12 VAL A 12 -5.589 -5.225 -5.672 1.00 44.42 H new ATOM 0 HG13 VAL A 12 -4.544 -5.014 -4.247 1.00 44.42 H new ATOM 0 HG21 VAL A 12 -2.344 -6.958 -5.224 1.00 3.53 H new ATOM 0 HG22 VAL A 12 -2.988 -6.955 -3.565 1.00 3.53 H new ATOM 0 HG23 VAL A 12 -3.020 -8.450 -4.529 1.00 3.53 H new ATOM 181 N ASP A 13 -6.822 -9.572 -4.836 1.00 4.24 N ATOM 182 CA ASP A 13 -7.121 -11.008 -4.866 1.00 33.41 C ATOM 183 C ASP A 13 -6.366 -11.732 -5.998 1.00 30.21 C ATOM 184 O ASP A 13 -5.980 -11.122 -6.999 1.00 4.41 O ATOM 185 CB ASP A 13 -8.636 -11.208 -5.014 1.00 14.44 C ATOM 186 CG ASP A 13 -9.071 -12.617 -4.662 1.00 54.45 C ATOM 187 OD1 ASP A 13 -9.221 -12.911 -3.456 1.00 24.24 O ATOM 188 OD2 ASP A 13 -9.255 -13.442 -5.575 1.00 11.52 O ATOM 0 H ASP A 13 -7.549 -8.988 -5.250 1.00 4.24 H new ATOM 0 HA ASP A 13 -6.782 -11.447 -3.928 1.00 33.41 H new ATOM 0 HB2 ASP A 13 -9.158 -10.499 -4.372 1.00 14.44 H new ATOM 0 HB3 ASP A 13 -8.930 -10.985 -6.040 1.00 14.44 H new ATOM 193 N GLY A 14 -6.137 -13.034 -5.822 1.00 75.31 N ATOM 194 CA GLY A 14 -5.439 -13.825 -6.834 1.00 50.11 C ATOM 195 C GLY A 14 -3.919 -13.663 -6.786 1.00 14.25 C ATOM 196 O GLY A 14 -3.178 -14.648 -6.850 1.00 12.41 O ATOM 0 H GLY A 14 -6.422 -13.559 -4.995 1.00 75.31 H new ATOM 0 HA2 GLY A 14 -5.690 -14.877 -6.699 1.00 50.11 H new ATOM 0 HA3 GLY A 14 -5.797 -13.536 -7.822 1.00 50.11 H new ATOM 200 N ALA A 15 -3.454 -12.418 -6.670 1.00 50.42 N ATOM 201 CA ALA A 15 -2.019 -12.122 -6.612 1.00 70.33 C ATOM 202 C ALA A 15 -1.374 -12.658 -5.322 1.00 41.41 C ATOM 203 O ALA A 15 -1.726 -12.235 -4.214 1.00 31.05 O ATOM 204 CB ALA A 15 -1.790 -10.621 -6.727 1.00 41.30 C ATOM 0 H ALA A 15 -4.053 -11.594 -6.614 1.00 50.42 H new ATOM 0 HA ALA A 15 -1.544 -12.628 -7.452 1.00 70.33 H new ATOM 0 HB1 ALA A 15 -0.721 -10.412 -6.683 1.00 41.30 H new ATOM 0 HB2 ALA A 15 -2.191 -10.263 -7.675 1.00 41.30 H new ATOM 0 HB3 ALA A 15 -2.294 -10.112 -5.905 1.00 41.30 H new ATOM 210 N GLU A 16 -0.434 -13.592 -5.475 1.00 64.30 N ATOM 211 CA GLU A 16 0.285 -14.183 -4.336 1.00 45.11 C ATOM 212 C GLU A 16 1.737 -13.662 -4.282 1.00 15.11 C ATOM 213 O GLU A 16 2.166 -13.101 -3.274 1.00 25.21 O ATOM 214 CB GLU A 16 0.241 -15.721 -4.445 1.00 3.34 C ATOM 215 CG GLU A 16 0.721 -16.482 -3.204 1.00 44.25 C ATOM 216 CD GLU A 16 2.237 -16.533 -3.064 1.00 73.04 C ATOM 217 OE1 GLU A 16 2.893 -17.190 -3.903 1.00 42.33 O ATOM 218 OE2 GLU A 16 2.780 -15.916 -2.122 1.00 20.53 O ATOM 0 H GLU A 16 -0.148 -13.960 -6.382 1.00 64.30 H new ATOM 0 HA GLU A 16 -0.201 -13.887 -3.406 1.00 45.11 H new ATOM 0 HB2 GLU A 16 -0.783 -16.024 -4.662 1.00 3.34 H new ATOM 0 HB3 GLU A 16 0.851 -16.026 -5.296 1.00 3.34 H new ATOM 0 HG2 GLU A 16 0.299 -16.013 -2.315 1.00 44.25 H new ATOM 0 HG3 GLU A 16 0.334 -17.500 -3.241 1.00 44.25 H new ATOM 225 N SER A 17 2.483 -13.835 -5.375 1.00 72.22 N ATOM 226 CA SER A 17 3.874 -13.342 -5.462 1.00 32.22 C ATOM 227 C SER A 17 4.199 -12.793 -6.857 1.00 55.40 C ATOM 228 O SER A 17 4.086 -13.502 -7.855 1.00 43.24 O ATOM 229 CB SER A 17 4.885 -14.448 -5.113 1.00 72.04 C ATOM 230 OG SER A 17 4.877 -14.751 -3.723 1.00 3.03 O ATOM 0 H SER A 17 2.155 -14.311 -6.215 1.00 72.22 H new ATOM 0 HA SER A 17 3.958 -12.533 -4.736 1.00 32.22 H new ATOM 0 HB2 SER A 17 4.651 -15.347 -5.683 1.00 72.04 H new ATOM 0 HB3 SER A 17 5.885 -14.133 -5.411 1.00 72.04 H new ATOM 0 HG SER A 17 4.161 -14.248 -3.283 1.00 3.03 H new ATOM 236 N LEU A 18 4.611 -11.529 -6.911 1.00 12.22 N ATOM 237 CA LEU A 18 5.035 -10.896 -8.166 1.00 33.53 C ATOM 238 C LEU A 18 5.950 -9.690 -7.894 1.00 31.01 C ATOM 239 O LEU A 18 5.970 -9.152 -6.784 1.00 13.02 O ATOM 240 CB LEU A 18 3.806 -10.482 -9.011 1.00 35.40 C ATOM 241 CG LEU A 18 2.673 -9.731 -8.272 1.00 22.04 C ATOM 242 CD1 LEU A 18 3.086 -8.307 -7.894 1.00 61.30 C ATOM 243 CD2 LEU A 18 1.397 -9.716 -9.119 1.00 60.35 C ATOM 0 H LEU A 18 4.662 -10.916 -6.097 1.00 12.22 H new ATOM 0 HA LEU A 18 5.609 -11.626 -8.737 1.00 33.53 H new ATOM 0 HB2 LEU A 18 4.153 -9.852 -9.830 1.00 35.40 H new ATOM 0 HB3 LEU A 18 3.382 -11.381 -9.458 1.00 35.40 H new ATOM 0 HG LEU A 18 2.473 -10.269 -7.345 1.00 22.04 H new ATOM 0 HD11 LEU A 18 2.262 -7.814 -7.377 1.00 61.30 H new ATOM 0 HD12 LEU A 18 3.956 -8.342 -7.239 1.00 61.30 H new ATOM 0 HD13 LEU A 18 3.334 -7.748 -8.797 1.00 61.30 H new ATOM 0 HD21 LEU A 18 0.611 -9.184 -8.583 1.00 60.35 H new ATOM 0 HD22 LEU A 18 1.595 -9.214 -10.066 1.00 60.35 H new ATOM 0 HD23 LEU A 18 1.076 -10.740 -9.311 1.00 60.35 H new ATOM 255 N ASN A 19 6.716 -9.272 -8.900 1.00 32.22 N ATOM 256 CA ASN A 19 7.583 -8.093 -8.756 1.00 43.24 C ATOM 257 C ASN A 19 6.821 -6.800 -9.086 1.00 51.04 C ATOM 258 O ASN A 19 5.709 -6.838 -9.620 1.00 72.14 O ATOM 259 CB ASN A 19 8.848 -8.225 -9.618 1.00 25.01 C ATOM 260 CG ASN A 19 8.569 -8.378 -11.103 1.00 10.01 C ATOM 261 OD1 ASN A 19 7.578 -7.884 -11.623 1.00 73.31 O ATOM 262 ND2 ASN A 19 9.445 -9.074 -11.794 1.00 11.24 N ATOM 0 H ASN A 19 6.758 -9.722 -9.814 1.00 32.22 H new ATOM 0 HA ASN A 19 7.896 -8.038 -7.713 1.00 43.24 H new ATOM 0 HB2 ASN A 19 9.473 -7.345 -9.465 1.00 25.01 H new ATOM 0 HB3 ASN A 19 9.421 -9.087 -9.275 1.00 25.01 H new ATOM 0 HD21 ASN A 19 9.309 -9.215 -12.795 1.00 11.24 H new ATOM 0 HD22 ASN A 19 10.261 -9.472 -11.329 1.00 11.24 H new ATOM 269 N VAL A 20 7.427 -5.655 -8.773 1.00 72.22 N ATOM 270 CA VAL A 20 6.761 -4.361 -8.961 1.00 25.40 C ATOM 271 C VAL A 20 6.477 -4.084 -10.452 1.00 70.13 C ATOM 272 O VAL A 20 5.510 -3.402 -10.791 1.00 14.44 O ATOM 273 CB VAL A 20 7.594 -3.197 -8.363 1.00 12.05 C ATOM 274 CG1 VAL A 20 6.779 -1.904 -8.314 1.00 42.01 C ATOM 275 CG2 VAL A 20 8.122 -3.562 -6.975 1.00 34.24 C ATOM 0 H VAL A 20 8.371 -5.594 -8.391 1.00 72.22 H new ATOM 0 HA VAL A 20 5.812 -4.418 -8.428 1.00 25.40 H new ATOM 0 HB VAL A 20 8.449 -3.028 -9.017 1.00 12.05 H new ATOM 0 HG11 VAL A 20 7.388 -1.106 -7.890 1.00 42.01 H new ATOM 0 HG12 VAL A 20 6.471 -1.629 -9.323 1.00 42.01 H new ATOM 0 HG13 VAL A 20 5.895 -2.054 -7.694 1.00 42.01 H new ATOM 0 HG21 VAL A 20 8.703 -2.730 -6.576 1.00 34.24 H new ATOM 0 HG22 VAL A 20 7.284 -3.771 -6.310 1.00 34.24 H new ATOM 0 HG23 VAL A 20 8.756 -4.446 -7.048 1.00 34.24 H new ATOM 285 N THR A 21 7.318 -4.628 -11.337 1.00 34.32 N ATOM 286 CA THR A 21 7.102 -4.517 -12.792 1.00 12.45 C ATOM 287 C THR A 21 5.781 -5.182 -13.221 1.00 74.50 C ATOM 288 O THR A 21 5.042 -4.641 -14.047 1.00 62.15 O ATOM 289 CB THR A 21 8.267 -5.151 -13.597 1.00 4.31 C ATOM 290 OG1 THR A 21 9.491 -4.452 -13.329 1.00 21.05 O ATOM 291 CG2 THR A 21 7.993 -5.130 -15.099 1.00 52.54 C ATOM 0 H THR A 21 8.155 -5.150 -11.077 1.00 34.32 H new ATOM 0 HA THR A 21 7.056 -3.450 -13.012 1.00 12.45 H new ATOM 0 HB THR A 21 8.355 -6.190 -13.279 1.00 4.31 H new ATOM 0 HG1 THR A 21 9.927 -4.219 -14.175 1.00 21.05 H new ATOM 0 HG21 THR A 21 8.832 -5.583 -15.628 1.00 52.54 H new ATOM 0 HG22 THR A 21 7.084 -5.693 -15.311 1.00 52.54 H new ATOM 0 HG23 THR A 21 7.868 -4.100 -15.432 1.00 52.54 H new ATOM 299 N GLU A 22 5.490 -6.356 -12.659 1.00 21.50 N ATOM 300 CA GLU A 22 4.227 -7.055 -12.933 1.00 61.33 C ATOM 301 C GLU A 22 3.032 -6.244 -12.424 1.00 3.31 C ATOM 302 O GLU A 22 2.055 -6.041 -13.145 1.00 50.21 O ATOM 303 CB GLU A 22 4.231 -8.454 -12.294 1.00 23.33 C ATOM 304 CG GLU A 22 5.163 -9.447 -12.984 1.00 44.32 C ATOM 305 CD GLU A 22 4.792 -9.678 -14.442 1.00 51.43 C ATOM 306 OE1 GLU A 22 3.820 -10.418 -14.703 1.00 73.03 O ATOM 307 OE2 GLU A 22 5.472 -9.129 -15.337 1.00 72.34 O ATOM 0 H GLU A 22 6.109 -6.845 -12.012 1.00 21.50 H new ATOM 0 HA GLU A 22 4.132 -7.166 -14.013 1.00 61.33 H new ATOM 0 HB2 GLU A 22 4.523 -8.364 -11.248 1.00 23.33 H new ATOM 0 HB3 GLU A 22 3.217 -8.852 -12.309 1.00 23.33 H new ATOM 0 HG2 GLU A 22 6.187 -9.079 -12.927 1.00 44.32 H new ATOM 0 HG3 GLU A 22 5.136 -10.397 -12.451 1.00 44.32 H new ATOM 314 N LEU A 23 3.121 -5.769 -11.183 1.00 54.14 N ATOM 315 CA LEU A 23 2.090 -4.893 -10.613 1.00 32.22 C ATOM 316 C LEU A 23 1.876 -3.650 -11.499 1.00 42.31 C ATOM 317 O LEU A 23 0.741 -3.251 -11.771 1.00 35.41 O ATOM 318 CB LEU A 23 2.485 -4.473 -9.189 1.00 43.01 C ATOM 319 CG LEU A 23 1.458 -3.603 -8.444 1.00 30.24 C ATOM 320 CD1 LEU A 23 0.135 -4.350 -8.278 1.00 31.45 C ATOM 321 CD2 LEU A 23 2.009 -3.168 -7.084 1.00 21.41 C ATOM 0 H LEU A 23 3.895 -5.974 -10.551 1.00 54.14 H new ATOM 0 HA LEU A 23 1.151 -5.446 -10.572 1.00 32.22 H new ATOM 0 HB2 LEU A 23 2.667 -5.373 -8.601 1.00 43.01 H new ATOM 0 HB3 LEU A 23 3.428 -3.929 -9.238 1.00 43.01 H new ATOM 0 HG LEU A 23 1.270 -2.709 -9.039 1.00 30.24 H new ATOM 0 HD11 LEU A 23 -0.577 -3.716 -7.749 1.00 31.45 H new ATOM 0 HD12 LEU A 23 -0.265 -4.604 -9.260 1.00 31.45 H new ATOM 0 HD13 LEU A 23 0.302 -5.263 -7.707 1.00 31.45 H new ATOM 0 HD21 LEU A 23 1.269 -2.553 -6.571 1.00 21.41 H new ATOM 0 HD22 LEU A 23 2.229 -4.049 -6.482 1.00 21.41 H new ATOM 0 HD23 LEU A 23 2.922 -2.591 -7.229 1.00 21.41 H new ATOM 333 N LEU A 24 2.980 -3.063 -11.957 1.00 44.21 N ATOM 334 CA LEU A 24 2.947 -1.927 -12.883 1.00 41.41 C ATOM 335 C LEU A 24 2.254 -2.322 -14.201 1.00 21.20 C ATOM 336 O LEU A 24 1.430 -1.578 -14.734 1.00 51.12 O ATOM 337 CB LEU A 24 4.393 -1.437 -13.129 1.00 10.12 C ATOM 338 CG LEU A 24 4.566 -0.132 -13.941 1.00 53.30 C ATOM 339 CD1 LEU A 24 5.945 0.475 -13.687 1.00 24.03 C ATOM 340 CD2 LEU A 24 4.377 -0.370 -15.441 1.00 21.11 C ATOM 0 H LEU A 24 3.921 -3.359 -11.699 1.00 44.21 H new ATOM 0 HA LEU A 24 2.368 -1.113 -12.447 1.00 41.41 H new ATOM 0 HB2 LEU A 24 4.873 -1.299 -12.160 1.00 10.12 H new ATOM 0 HB3 LEU A 24 4.936 -2.230 -13.643 1.00 10.12 H new ATOM 0 HG LEU A 24 3.796 0.563 -13.607 1.00 53.30 H new ATOM 0 HD11 LEU A 24 6.051 1.393 -14.266 1.00 24.03 H new ATOM 0 HD12 LEU A 24 6.053 0.700 -12.626 1.00 24.03 H new ATOM 0 HD13 LEU A 24 6.716 -0.235 -13.988 1.00 24.03 H new ATOM 0 HD21 LEU A 24 4.506 0.570 -15.978 1.00 21.11 H new ATOM 0 HD22 LEU A 24 5.115 -1.092 -15.791 1.00 21.11 H new ATOM 0 HD23 LEU A 24 3.375 -0.758 -15.624 1.00 21.11 H new ATOM 352 N SER A 25 2.586 -3.506 -14.708 1.00 31.02 N ATOM 353 CA SER A 25 2.012 -4.009 -15.966 1.00 64.42 C ATOM 354 C SER A 25 0.560 -4.478 -15.786 1.00 30.34 C ATOM 355 O SER A 25 -0.177 -4.640 -16.760 1.00 71.35 O ATOM 356 CB SER A 25 2.864 -5.160 -16.519 1.00 0.12 C ATOM 357 OG SER A 25 4.205 -4.744 -16.752 1.00 63.44 O ATOM 0 H SER A 25 3.252 -4.142 -14.270 1.00 31.02 H new ATOM 0 HA SER A 25 2.012 -3.182 -16.676 1.00 64.42 H new ATOM 0 HB2 SER A 25 2.856 -5.992 -15.815 1.00 0.12 H new ATOM 0 HB3 SER A 25 2.427 -5.525 -17.449 1.00 0.12 H new ATOM 0 HG SER A 25 4.672 -4.649 -15.895 1.00 63.44 H new ATOM 363 N ALA A 26 0.159 -4.707 -14.536 1.00 52.13 N ATOM 364 CA ALA A 26 -1.217 -5.100 -14.220 1.00 41.13 C ATOM 365 C ALA A 26 -2.186 -3.918 -14.379 1.00 43.44 C ATOM 366 O ALA A 26 -3.239 -4.044 -15.006 1.00 61.30 O ATOM 367 CB ALA A 26 -1.294 -5.662 -12.802 1.00 13.24 C ATOM 0 H ALA A 26 0.769 -4.627 -13.722 1.00 52.13 H new ATOM 0 HA ALA A 26 -1.516 -5.875 -14.926 1.00 41.13 H new ATOM 0 HB1 ALA A 26 -2.322 -5.950 -12.580 1.00 13.24 H new ATOM 0 HB2 ALA A 26 -0.647 -6.535 -12.721 1.00 13.24 H new ATOM 0 HB3 ALA A 26 -0.969 -4.902 -12.091 1.00 13.24 H new ATOM 373 N LEU A 27 -1.828 -2.773 -13.799 1.00 55.25 N ATOM 374 CA LEU A 27 -2.645 -1.556 -13.916 1.00 75.40 C ATOM 375 C LEU A 27 -2.277 -0.741 -15.171 1.00 3.02 C ATOM 376 O LEU A 27 -3.043 0.114 -15.609 1.00 22.53 O ATOM 377 CB LEU A 27 -2.530 -0.699 -12.634 1.00 54.33 C ATOM 378 CG LEU A 27 -1.102 -0.423 -12.106 1.00 14.23 C ATOM 379 CD1 LEU A 27 -0.358 0.594 -12.973 1.00 40.21 C ATOM 380 CD2 LEU A 27 -1.151 0.044 -10.649 1.00 24.53 C ATOM 0 H LEU A 27 -0.980 -2.658 -13.244 1.00 55.25 H new ATOM 0 HA LEU A 27 -3.685 -1.862 -14.029 1.00 75.40 H new ATOM 0 HB2 LEU A 27 -3.014 0.259 -12.821 1.00 54.33 H new ATOM 0 HB3 LEU A 27 -3.095 -1.193 -11.843 1.00 54.33 H new ATOM 0 HG LEU A 27 -0.547 -1.360 -12.158 1.00 14.23 H new ATOM 0 HD11 LEU A 27 0.640 0.758 -12.566 1.00 40.21 H new ATOM 0 HD12 LEU A 27 -0.277 0.214 -13.991 1.00 40.21 H new ATOM 0 HD13 LEU A 27 -0.906 1.536 -12.980 1.00 40.21 H new ATOM 0 HD21 LEU A 27 -0.138 0.234 -10.293 1.00 24.53 H new ATOM 0 HD22 LEU A 27 -1.737 0.960 -10.580 1.00 24.53 H new ATOM 0 HD23 LEU A 27 -1.612 -0.729 -10.034 1.00 24.53 H new ATOM 392 N LYS A 28 -1.097 -1.019 -15.730 1.00 11.41 N ATOM 393 CA LYS A 28 -0.625 -0.385 -16.972 1.00 2.13 C ATOM 394 C LYS A 28 -0.510 1.146 -16.855 1.00 20.25 C ATOM 395 O LYS A 28 -1.432 1.884 -17.211 1.00 72.13 O ATOM 396 CB LYS A 28 -1.530 -0.767 -18.157 1.00 30.43 C ATOM 397 CG LYS A 28 -1.501 -2.255 -18.484 1.00 11.20 C ATOM 398 CD LYS A 28 -2.406 -2.605 -19.665 1.00 31.41 C ATOM 399 CE LYS A 28 -3.885 -2.403 -19.344 1.00 10.23 C ATOM 400 NZ LYS A 28 -4.758 -2.843 -20.469 1.00 40.24 N ATOM 0 H LYS A 28 -0.438 -1.691 -15.337 1.00 11.41 H new ATOM 0 HA LYS A 28 0.380 -0.765 -17.153 1.00 2.13 H new ATOM 0 HB2 LYS A 28 -2.555 -0.472 -17.932 1.00 30.43 H new ATOM 0 HB3 LYS A 28 -1.222 -0.203 -19.037 1.00 30.43 H new ATOM 0 HG2 LYS A 28 -0.478 -2.555 -18.711 1.00 11.20 H new ATOM 0 HG3 LYS A 28 -1.813 -2.824 -17.608 1.00 11.20 H new ATOM 0 HD2 LYS A 28 -2.135 -1.988 -20.522 1.00 31.41 H new ATOM 0 HD3 LYS A 28 -2.238 -3.643 -19.953 1.00 31.41 H new ATOM 0 HE2 LYS A 28 -4.142 -2.962 -18.444 1.00 10.23 H new ATOM 0 HE3 LYS A 28 -4.070 -1.351 -19.129 1.00 10.23 H new ATOM 0 HZ1 LYS A 28 -5.755 -2.691 -20.215 1.00 40.24 H new ATOM 0 HZ2 LYS A 28 -4.530 -2.292 -21.321 1.00 40.24 H new ATOM 0 HZ3 LYS A 28 -4.599 -3.853 -20.657 1.00 40.24 H new ATOM 414 N VAL A 29 0.631 1.619 -16.352 1.00 42.30 N ATOM 415 CA VAL A 29 0.903 3.059 -16.259 1.00 33.34 C ATOM 416 C VAL A 29 2.023 3.473 -17.235 1.00 65.33 C ATOM 417 O VAL A 29 3.162 3.011 -17.133 1.00 35.31 O ATOM 418 CB VAL A 29 1.268 3.479 -14.804 1.00 75.04 C ATOM 419 CG1 VAL A 29 2.486 2.713 -14.288 1.00 34.12 C ATOM 420 CG2 VAL A 29 1.488 4.988 -14.712 1.00 44.41 C ATOM 0 H VAL A 29 1.384 1.027 -16.002 1.00 42.30 H new ATOM 0 HA VAL A 29 -0.012 3.581 -16.540 1.00 33.34 H new ATOM 0 HB VAL A 29 0.425 3.220 -14.164 1.00 75.04 H new ATOM 0 HG11 VAL A 29 2.712 3.032 -13.270 1.00 34.12 H new ATOM 0 HG12 VAL A 29 2.273 1.644 -14.295 1.00 34.12 H new ATOM 0 HG13 VAL A 29 3.343 2.916 -14.930 1.00 34.12 H new ATOM 0 HG21 VAL A 29 1.742 5.257 -13.687 1.00 44.41 H new ATOM 0 HG22 VAL A 29 2.303 5.278 -15.375 1.00 44.41 H new ATOM 0 HG23 VAL A 29 0.577 5.507 -15.008 1.00 44.41 H new ATOM 430 N ALA A 30 1.680 4.337 -18.191 1.00 25.14 N ATOM 431 CA ALA A 30 2.633 4.794 -19.214 1.00 65.21 C ATOM 432 C ALA A 30 3.819 5.560 -18.603 1.00 32.01 C ATOM 433 O ALA A 30 4.921 5.574 -19.157 1.00 13.44 O ATOM 434 CB ALA A 30 1.916 5.665 -20.243 1.00 13.32 C ATOM 0 H ALA A 30 0.747 4.738 -18.282 1.00 25.14 H new ATOM 0 HA ALA A 30 3.038 3.908 -19.704 1.00 65.21 H new ATOM 0 HB1 ALA A 30 2.629 5.999 -20.997 1.00 13.32 H new ATOM 0 HB2 ALA A 30 1.126 5.087 -20.722 1.00 13.32 H new ATOM 0 HB3 ALA A 30 1.481 6.532 -19.746 1.00 13.32 H new ATOM 440 N GLN A 31 3.594 6.170 -17.448 1.00 64.25 N ATOM 441 CA GLN A 31 4.602 7.005 -16.789 1.00 32.24 C ATOM 442 C GLN A 31 5.568 6.168 -15.930 1.00 4.33 C ATOM 443 O GLN A 31 5.972 6.587 -14.845 1.00 25.43 O ATOM 444 CB GLN A 31 3.911 8.080 -15.929 1.00 24.42 C ATOM 445 CG GLN A 31 3.011 9.036 -16.723 1.00 32.43 C ATOM 446 CD GLN A 31 1.589 8.520 -16.932 1.00 43.04 C ATOM 447 OE1 GLN A 31 1.335 7.322 -16.970 1.00 13.14 O ATOM 448 NE2 GLN A 31 0.647 9.430 -17.086 1.00 74.31 N ATOM 0 H GLN A 31 2.713 6.104 -16.939 1.00 64.25 H new ATOM 0 HA GLN A 31 5.195 7.489 -17.565 1.00 32.24 H new ATOM 0 HB2 GLN A 31 3.312 7.587 -15.163 1.00 24.42 H new ATOM 0 HB3 GLN A 31 4.674 8.662 -15.412 1.00 24.42 H new ATOM 0 HG2 GLN A 31 2.967 9.993 -16.203 1.00 32.43 H new ATOM 0 HG3 GLN A 31 3.466 9.223 -17.696 1.00 32.43 H new ATOM 0 HE21 GLN A 31 0.885 10.421 -17.050 1.00 74.31 H new ATOM 0 HE22 GLN A 31 -0.319 9.143 -17.241 1.00 74.31 H new ATOM 457 N ALA A 32 5.966 5.003 -16.446 1.00 41.00 N ATOM 458 CA ALA A 32 6.891 4.100 -15.739 1.00 61.33 C ATOM 459 C ALA A 32 8.221 4.790 -15.390 1.00 51.34 C ATOM 460 O ALA A 32 8.891 4.430 -14.422 1.00 74.12 O ATOM 461 CB ALA A 32 7.148 2.850 -16.573 1.00 43.30 C ATOM 0 H ALA A 32 5.663 4.657 -17.356 1.00 41.00 H new ATOM 0 HA ALA A 32 6.415 3.817 -14.800 1.00 61.33 H new ATOM 0 HB1 ALA A 32 7.833 2.191 -16.039 1.00 43.30 H new ATOM 0 HB2 ALA A 32 6.206 2.330 -16.748 1.00 43.30 H new ATOM 0 HB3 ALA A 32 7.589 3.134 -17.529 1.00 43.30 H new ATOM 467 N GLU A 33 8.595 5.780 -16.192 1.00 51.13 N ATOM 468 CA GLU A 33 9.794 6.583 -15.934 1.00 71.35 C ATOM 469 C GLU A 33 9.614 7.489 -14.700 1.00 21.25 C ATOM 470 O GLU A 33 10.546 7.692 -13.922 1.00 31.34 O ATOM 471 CB GLU A 33 10.112 7.434 -17.176 1.00 71.32 C ATOM 472 CG GLU A 33 11.281 8.406 -17.007 1.00 73.34 C ATOM 473 CD GLU A 33 12.591 7.715 -16.656 1.00 33.32 C ATOM 474 OE1 GLU A 33 13.010 6.808 -17.403 1.00 51.32 O ATOM 475 OE2 GLU A 33 13.205 8.072 -15.627 1.00 32.13 O ATOM 0 H GLU A 33 8.084 6.050 -17.033 1.00 51.13 H new ATOM 0 HA GLU A 33 10.624 5.907 -15.726 1.00 71.35 H new ATOM 0 HB2 GLU A 33 10.331 6.767 -18.010 1.00 71.32 H new ATOM 0 HB3 GLU A 33 9.222 8.002 -17.447 1.00 71.32 H new ATOM 0 HG2 GLU A 33 11.412 8.971 -17.930 1.00 73.34 H new ATOM 0 HG3 GLU A 33 11.037 9.125 -16.225 1.00 73.34 H new ATOM 482 N TYR A 34 8.401 8.008 -14.516 1.00 42.12 N ATOM 483 CA TYR A 34 8.133 9.031 -13.493 1.00 61.24 C ATOM 484 C TYR A 34 7.514 8.439 -12.214 1.00 61.04 C ATOM 485 O TYR A 34 7.531 9.079 -11.162 1.00 13.30 O ATOM 486 CB TYR A 34 7.183 10.092 -14.068 1.00 62.33 C ATOM 487 CG TYR A 34 7.584 10.595 -15.443 1.00 33.02 C ATOM 488 CD1 TYR A 34 8.447 11.676 -15.591 1.00 65.03 C ATOM 489 CD2 TYR A 34 7.093 9.987 -16.596 1.00 3.42 C ATOM 490 CE1 TYR A 34 8.807 12.135 -16.844 1.00 54.44 C ATOM 491 CE2 TYR A 34 7.448 10.440 -17.850 1.00 12.40 C ATOM 492 CZ TYR A 34 8.305 11.517 -17.969 1.00 4.13 C ATOM 493 OH TYR A 34 8.658 11.979 -19.220 1.00 51.20 O ATOM 0 H TYR A 34 7.582 7.739 -15.062 1.00 42.12 H new ATOM 0 HA TYR A 34 9.090 9.475 -13.220 1.00 61.24 H new ATOM 0 HB2 TYR A 34 6.178 9.674 -14.124 1.00 62.33 H new ATOM 0 HB3 TYR A 34 7.139 10.937 -13.381 1.00 62.33 H new ATOM 0 HD1 TYR A 34 8.842 12.164 -14.713 1.00 65.03 H new ATOM 0 HD2 TYR A 34 6.422 9.145 -16.507 1.00 3.42 H new ATOM 0 HE1 TYR A 34 9.479 12.975 -16.941 1.00 54.44 H new ATOM 0 HE2 TYR A 34 7.058 9.956 -18.733 1.00 12.40 H new ATOM 0 HH TYR A 34 8.220 11.433 -19.906 1.00 51.20 H new ATOM 503 N VAL A 35 6.985 7.218 -12.311 1.00 4.32 N ATOM 504 CA VAL A 35 6.200 6.606 -11.226 1.00 20.12 C ATOM 505 C VAL A 35 6.950 6.585 -9.878 1.00 50.11 C ATOM 506 O VAL A 35 7.960 5.901 -9.713 1.00 2.32 O ATOM 507 CB VAL A 35 5.743 5.166 -11.602 1.00 75.02 C ATOM 508 CG1 VAL A 35 6.933 4.271 -11.943 1.00 72.44 C ATOM 509 CG2 VAL A 35 4.902 4.553 -10.484 1.00 31.30 C ATOM 0 H VAL A 35 7.085 6.626 -13.135 1.00 4.32 H new ATOM 0 HA VAL A 35 5.322 7.239 -11.099 1.00 20.12 H new ATOM 0 HB VAL A 35 5.122 5.240 -12.495 1.00 75.02 H new ATOM 0 HG11 VAL A 35 6.576 3.274 -12.200 1.00 72.44 H new ATOM 0 HG12 VAL A 35 7.474 4.693 -12.790 1.00 72.44 H new ATOM 0 HG13 VAL A 35 7.599 4.207 -11.082 1.00 72.44 H new ATOM 0 HG21 VAL A 35 4.594 3.547 -10.770 1.00 31.30 H new ATOM 0 HG22 VAL A 35 5.492 4.506 -9.569 1.00 31.30 H new ATOM 0 HG23 VAL A 35 4.018 5.168 -10.314 1.00 31.30 H new ATOM 519 N THR A 36 6.443 7.352 -8.917 1.00 11.11 N ATOM 520 CA THR A 36 7.037 7.406 -7.576 1.00 14.31 C ATOM 521 C THR A 36 6.342 6.429 -6.619 1.00 71.13 C ATOM 522 O THR A 36 5.199 6.653 -6.211 1.00 34.14 O ATOM 523 CB THR A 36 6.948 8.829 -6.973 1.00 55.14 C ATOM 524 OG1 THR A 36 7.532 9.787 -7.870 1.00 62.45 O ATOM 525 CG2 THR A 36 7.656 8.906 -5.621 1.00 43.00 C ATOM 0 H THR A 36 5.623 7.946 -9.037 1.00 11.11 H new ATOM 0 HA THR A 36 8.084 7.125 -7.690 1.00 14.31 H new ATOM 0 HB THR A 36 5.893 9.059 -6.826 1.00 55.14 H new ATOM 0 HG1 THR A 36 7.468 10.683 -7.478 1.00 62.45 H new ATOM 0 HG21 THR A 36 7.575 9.918 -5.225 1.00 43.00 H new ATOM 0 HG22 THR A 36 7.191 8.206 -4.926 1.00 43.00 H new ATOM 0 HG23 THR A 36 8.708 8.648 -5.746 1.00 43.00 H new ATOM 533 N VAL A 37 7.030 5.342 -6.280 1.00 70.24 N ATOM 534 CA VAL A 37 6.514 4.351 -5.325 1.00 61.41 C ATOM 535 C VAL A 37 7.633 3.823 -4.413 1.00 11.42 C ATOM 536 O VAL A 37 8.796 3.736 -4.824 1.00 62.02 O ATOM 537 CB VAL A 37 5.849 3.144 -6.048 1.00 3.02 C ATOM 538 CG1 VAL A 37 4.594 3.577 -6.807 1.00 61.44 C ATOM 539 CG2 VAL A 37 6.843 2.456 -6.988 1.00 14.40 C ATOM 0 H VAL A 37 7.953 5.119 -6.653 1.00 70.24 H new ATOM 0 HA VAL A 37 5.763 4.864 -4.724 1.00 61.41 H new ATOM 0 HB VAL A 37 5.547 2.425 -5.286 1.00 3.02 H new ATOM 0 HG11 VAL A 37 4.152 2.712 -7.302 1.00 61.44 H new ATOM 0 HG12 VAL A 37 3.874 4.002 -6.108 1.00 61.44 H new ATOM 0 HG13 VAL A 37 4.860 4.325 -7.553 1.00 61.44 H new ATOM 0 HG21 VAL A 37 6.355 1.616 -7.482 1.00 14.40 H new ATOM 0 HG22 VAL A 37 7.187 3.168 -7.738 1.00 14.40 H new ATOM 0 HG23 VAL A 37 7.696 2.094 -6.414 1.00 14.40 H new ATOM 549 N GLU A 38 7.286 3.484 -3.174 1.00 13.43 N ATOM 550 CA GLU A 38 8.248 2.878 -2.248 1.00 42.11 C ATOM 551 C GLU A 38 7.648 1.668 -1.515 1.00 15.11 C ATOM 552 O GLU A 38 6.504 1.704 -1.061 1.00 14.05 O ATOM 553 CB GLU A 38 8.748 3.908 -1.219 1.00 13.22 C ATOM 554 CG GLU A 38 7.681 4.419 -0.249 1.00 40.21 C ATOM 555 CD GLU A 38 6.687 5.362 -0.902 1.00 52.21 C ATOM 556 OE1 GLU A 38 6.999 6.566 -1.005 1.00 25.24 O ATOM 557 OE2 GLU A 38 5.598 4.906 -1.309 1.00 73.43 O ATOM 0 H GLU A 38 6.352 3.616 -2.786 1.00 13.43 H new ATOM 0 HA GLU A 38 9.090 2.534 -2.848 1.00 42.11 H new ATOM 0 HB2 GLU A 38 9.558 3.461 -0.643 1.00 13.22 H new ATOM 0 HB3 GLU A 38 9.170 4.759 -1.754 1.00 13.22 H new ATOM 0 HG2 GLU A 38 7.144 3.569 0.172 1.00 40.21 H new ATOM 0 HG3 GLU A 38 8.168 4.931 0.581 1.00 40.21 H new ATOM 564 N LEU A 39 8.430 0.598 -1.398 1.00 43.02 N ATOM 565 CA LEU A 39 8.018 -0.577 -0.625 1.00 21.33 C ATOM 566 C LEU A 39 8.312 -0.373 0.865 1.00 34.22 C ATOM 567 O LEU A 39 9.469 -0.384 1.292 1.00 53.52 O ATOM 568 CB LEU A 39 8.716 -1.849 -1.146 1.00 41.14 C ATOM 569 CG LEU A 39 7.945 -2.637 -2.223 1.00 12.22 C ATOM 570 CD1 LEU A 39 6.630 -3.175 -1.659 1.00 23.42 C ATOM 571 CD2 LEU A 39 7.686 -1.774 -3.457 1.00 54.41 C ATOM 0 H LEU A 39 9.352 0.517 -1.827 1.00 43.02 H new ATOM 0 HA LEU A 39 6.943 -0.705 -0.749 1.00 21.33 H new ATOM 0 HB2 LEU A 39 9.688 -1.568 -1.552 1.00 41.14 H new ATOM 0 HB3 LEU A 39 8.903 -2.511 -0.301 1.00 41.14 H new ATOM 0 HG LEU A 39 8.563 -3.482 -2.527 1.00 12.22 H new ATOM 0 HD11 LEU A 39 6.101 -3.728 -2.435 1.00 23.42 H new ATOM 0 HD12 LEU A 39 6.838 -3.838 -0.819 1.00 23.42 H new ATOM 0 HD13 LEU A 39 6.012 -2.343 -1.321 1.00 23.42 H new ATOM 0 HD21 LEU A 39 7.141 -2.356 -4.200 1.00 54.41 H new ATOM 0 HD22 LEU A 39 7.096 -0.902 -3.174 1.00 54.41 H new ATOM 0 HD23 LEU A 39 8.637 -1.447 -3.878 1.00 54.41 H new ATOM 583 N ASN A 40 7.251 -0.144 1.638 1.00 63.45 N ATOM 584 CA ASN A 40 7.336 0.041 3.096 1.00 11.30 C ATOM 585 C ASN A 40 8.189 1.267 3.488 1.00 23.34 C ATOM 586 O ASN A 40 8.506 1.461 4.661 1.00 33.42 O ATOM 587 CB ASN A 40 7.882 -1.227 3.772 1.00 22.13 C ATOM 588 CG ASN A 40 7.165 -2.487 3.308 1.00 3.10 C ATOM 589 OD1 ASN A 40 6.083 -2.817 3.783 1.00 4.32 O ATOM 590 ND2 ASN A 40 7.775 -3.211 2.391 1.00 25.20 N ATOM 0 H ASN A 40 6.301 -0.080 1.273 1.00 63.45 H new ATOM 0 HA ASN A 40 6.322 0.228 3.450 1.00 11.30 H new ATOM 0 HB2 ASN A 40 8.947 -1.319 3.559 1.00 22.13 H new ATOM 0 HB3 ASN A 40 7.780 -1.132 4.853 1.00 22.13 H new ATOM 0 HD21 ASN A 40 7.348 -4.074 2.056 1.00 25.20 H new ATOM 0 HD22 ASN A 40 8.674 -2.908 2.017 1.00 25.20 H new ATOM 597 N GLY A 41 8.533 2.104 2.512 1.00 1.35 N ATOM 598 CA GLY A 41 9.341 3.295 2.789 1.00 44.53 C ATOM 599 C GLY A 41 10.606 3.398 1.936 1.00 43.44 C ATOM 600 O GLY A 41 11.278 4.431 1.937 1.00 34.12 O ATOM 0 H GLY A 41 8.270 1.985 1.534 1.00 1.35 H new ATOM 0 HA2 GLY A 41 8.730 4.183 2.624 1.00 44.53 H new ATOM 0 HA3 GLY A 41 9.624 3.293 3.842 1.00 44.53 H new ATOM 604 N GLU A 42 10.943 2.329 1.212 1.00 24.42 N ATOM 605 CA GLU A 42 12.139 2.315 0.351 1.00 73.50 C ATOM 606 C GLU A 42 11.773 2.500 -1.131 1.00 30.21 C ATOM 607 O GLU A 42 11.095 1.657 -1.724 1.00 34.12 O ATOM 608 CB GLU A 42 12.911 1.003 0.542 1.00 75.31 C ATOM 609 CG GLU A 42 13.363 0.769 1.978 1.00 60.33 C ATOM 610 CD GLU A 42 14.187 -0.496 2.129 1.00 52.34 C ATOM 611 OE1 GLU A 42 15.423 -0.431 1.955 1.00 52.24 O ATOM 612 OE2 GLU A 42 13.603 -1.562 2.415 1.00 20.10 O ATOM 0 H GLU A 42 10.409 1.460 1.201 1.00 24.42 H new ATOM 0 HA GLU A 42 12.770 3.153 0.646 1.00 73.50 H new ATOM 0 HB2 GLU A 42 12.281 0.171 0.227 1.00 75.31 H new ATOM 0 HB3 GLU A 42 13.785 1.006 -0.110 1.00 75.31 H new ATOM 0 HG2 GLU A 42 13.950 1.623 2.314 1.00 60.33 H new ATOM 0 HG3 GLU A 42 12.488 0.708 2.626 1.00 60.33 H new ATOM 619 N VAL A 43 12.214 3.619 -1.714 1.00 4.30 N ATOM 620 CA VAL A 43 11.917 3.949 -3.118 1.00 5.30 C ATOM 621 C VAL A 43 12.592 2.972 -4.101 1.00 1.32 C ATOM 622 O VAL A 43 13.667 2.432 -3.826 1.00 2.04 O ATOM 623 CB VAL A 43 12.343 5.405 -3.454 1.00 31.32 C ATOM 624 CG1 VAL A 43 13.858 5.575 -3.335 1.00 20.41 C ATOM 625 CG2 VAL A 43 11.850 5.818 -4.844 1.00 0.24 C ATOM 0 H VAL A 43 12.782 4.318 -1.235 1.00 4.30 H new ATOM 0 HA VAL A 43 10.837 3.855 -3.236 1.00 5.30 H new ATOM 0 HB VAL A 43 11.874 6.066 -2.725 1.00 31.32 H new ATOM 0 HG11 VAL A 43 14.129 6.603 -3.576 1.00 20.41 H new ATOM 0 HG12 VAL A 43 14.171 5.346 -2.316 1.00 20.41 H new ATOM 0 HG13 VAL A 43 14.356 4.897 -4.028 1.00 20.41 H new ATOM 0 HG21 VAL A 43 12.163 6.841 -5.052 1.00 0.24 H new ATOM 0 HG22 VAL A 43 12.274 5.150 -5.594 1.00 0.24 H new ATOM 0 HG23 VAL A 43 10.762 5.757 -4.877 1.00 0.24 H new ATOM 635 N LEU A 44 11.947 2.744 -5.248 1.00 44.22 N ATOM 636 CA LEU A 44 12.453 1.797 -6.255 1.00 24.24 C ATOM 637 C LEU A 44 13.156 2.510 -7.425 1.00 64.25 C ATOM 638 O LEU A 44 12.757 3.597 -7.845 1.00 54.32 O ATOM 639 CB LEU A 44 11.303 0.927 -6.806 1.00 34.55 C ATOM 640 CG LEU A 44 10.671 -0.075 -5.819 1.00 22.25 C ATOM 641 CD1 LEU A 44 11.725 -1.020 -5.246 1.00 21.23 C ATOM 642 CD2 LEU A 44 9.922 0.648 -4.704 1.00 45.22 C ATOM 0 H LEU A 44 11.072 3.201 -5.506 1.00 44.22 H new ATOM 0 HA LEU A 44 13.187 1.167 -5.753 1.00 24.24 H new ATOM 0 HB2 LEU A 44 10.518 1.589 -7.171 1.00 34.55 H new ATOM 0 HB3 LEU A 44 11.676 0.371 -7.666 1.00 34.55 H new ATOM 0 HG LEU A 44 9.948 -0.674 -6.372 1.00 22.25 H new ATOM 0 HD11 LEU A 44 11.252 -1.716 -4.553 1.00 21.23 H new ATOM 0 HD12 LEU A 44 12.193 -1.578 -6.057 1.00 21.23 H new ATOM 0 HD13 LEU A 44 12.483 -0.442 -4.718 1.00 21.23 H new ATOM 0 HD21 LEU A 44 9.487 -0.084 -4.024 1.00 45.22 H new ATOM 0 HD22 LEU A 44 10.614 1.287 -4.155 1.00 45.22 H new ATOM 0 HD23 LEU A 44 9.129 1.259 -5.135 1.00 45.22 H new ATOM 654 N GLU A 45 14.221 1.889 -7.925 1.00 35.34 N ATOM 655 CA GLU A 45 14.883 2.322 -9.164 1.00 11.10 C ATOM 656 C GLU A 45 14.291 1.543 -10.358 1.00 12.00 C ATOM 657 O GLU A 45 13.749 0.457 -10.163 1.00 13.23 O ATOM 658 CB GLU A 45 16.400 2.089 -9.021 1.00 71.54 C ATOM 659 CG GLU A 45 17.256 2.609 -10.178 1.00 31.13 C ATOM 660 CD GLU A 45 17.510 1.563 -11.257 1.00 30.33 C ATOM 661 OE1 GLU A 45 18.198 0.561 -10.970 1.00 61.51 O ATOM 662 OE2 GLU A 45 17.034 1.740 -12.390 1.00 13.31 O ATOM 0 H GLU A 45 14.652 1.074 -7.489 1.00 35.34 H new ATOM 0 HA GLU A 45 14.715 3.384 -9.345 1.00 11.10 H new ATOM 0 HB2 GLU A 45 16.738 2.563 -8.100 1.00 71.54 H new ATOM 0 HB3 GLU A 45 16.577 1.019 -8.912 1.00 71.54 H new ATOM 0 HG2 GLU A 45 16.763 3.471 -10.627 1.00 31.13 H new ATOM 0 HG3 GLU A 45 18.212 2.956 -9.786 1.00 31.13 H new ATOM 669 N ARG A 46 14.392 2.089 -11.578 1.00 11.23 N ATOM 670 CA ARG A 46 13.774 1.475 -12.782 1.00 34.13 C ATOM 671 C ARG A 46 13.917 -0.063 -12.803 1.00 21.32 C ATOM 672 O ARG A 46 12.927 -0.790 -12.912 1.00 75.42 O ATOM 673 CB ARG A 46 14.401 2.046 -14.067 1.00 41.23 C ATOM 674 CG ARG A 46 14.279 3.559 -14.214 1.00 24.14 C ATOM 675 CD ARG A 46 15.005 4.060 -15.465 1.00 74.31 C ATOM 676 NE ARG A 46 14.964 5.516 -15.584 1.00 2.22 N ATOM 677 CZ ARG A 46 16.018 6.288 -15.549 1.00 44.44 C ATOM 678 NH1 ARG A 46 17.208 5.791 -15.444 1.00 22.13 N ATOM 679 NH2 ARG A 46 15.874 7.565 -15.644 1.00 71.20 N ATOM 0 H ARG A 46 14.895 2.956 -11.767 1.00 11.23 H new ATOM 0 HA ARG A 46 12.713 1.720 -12.738 1.00 34.13 H new ATOM 0 HB2 ARG A 46 15.457 1.776 -14.092 1.00 41.23 H new ATOM 0 HB3 ARG A 46 13.930 1.571 -14.928 1.00 41.23 H new ATOM 0 HG2 ARG A 46 13.226 3.837 -14.267 1.00 24.14 H new ATOM 0 HG3 ARG A 46 14.694 4.046 -13.331 1.00 24.14 H new ATOM 0 HD2 ARG A 46 16.043 3.729 -15.437 1.00 74.31 H new ATOM 0 HD3 ARG A 46 14.551 3.612 -16.349 1.00 74.31 H new ATOM 0 HE ARG A 46 14.053 5.959 -15.702 1.00 2.22 H new ATOM 0 HH11 ARG A 46 17.335 4.781 -15.387 1.00 22.13 H new ATOM 0 HH12 ARG A 46 18.019 6.410 -15.418 1.00 22.13 H new ATOM 0 HH21 ARG A 46 14.942 7.967 -15.746 1.00 71.20 H new ATOM 0 HH22 ARG A 46 16.692 8.174 -15.617 1.00 71.20 H new ATOM 693 N GLU A 47 15.149 -0.547 -12.686 1.00 14.34 N ATOM 694 CA GLU A 47 15.429 -1.991 -12.742 1.00 41.45 C ATOM 695 C GLU A 47 15.116 -2.699 -11.412 1.00 43.25 C ATOM 696 O GLU A 47 15.046 -3.928 -11.352 1.00 3.35 O ATOM 697 CB GLU A 47 16.893 -2.218 -13.129 1.00 50.32 C ATOM 698 CG GLU A 47 17.247 -1.650 -14.497 1.00 31.02 C ATOM 699 CD GLU A 47 18.724 -1.763 -14.820 1.00 41.33 C ATOM 700 OE1 GLU A 47 19.138 -2.796 -15.382 1.00 44.13 O ATOM 701 OE2 GLU A 47 19.479 -0.815 -14.515 1.00 55.11 O ATOM 0 H GLU A 47 15.976 0.035 -12.551 1.00 14.34 H new ATOM 0 HA GLU A 47 14.774 -2.425 -13.498 1.00 41.45 H new ATOM 0 HB2 GLU A 47 17.536 -1.762 -12.376 1.00 50.32 H new ATOM 0 HB3 GLU A 47 17.102 -3.288 -13.122 1.00 50.32 H new ATOM 0 HG2 GLU A 47 16.672 -2.173 -15.261 1.00 31.02 H new ATOM 0 HG3 GLU A 47 16.951 -0.602 -14.537 1.00 31.02 H new ATOM 708 N ALA A 48 14.935 -1.922 -10.346 1.00 44.21 N ATOM 709 CA ALA A 48 14.563 -2.477 -9.039 1.00 35.12 C ATOM 710 C ALA A 48 13.112 -2.986 -9.043 1.00 50.23 C ATOM 711 O ALA A 48 12.745 -3.842 -8.238 1.00 30.43 O ATOM 712 CB ALA A 48 14.766 -1.436 -7.940 1.00 53.31 C ATOM 0 H ALA A 48 15.039 -0.907 -10.358 1.00 44.21 H new ATOM 0 HA ALA A 48 15.214 -3.328 -8.837 1.00 35.12 H new ATOM 0 HB1 ALA A 48 14.486 -1.864 -6.977 1.00 53.31 H new ATOM 0 HB2 ALA A 48 15.813 -1.136 -7.912 1.00 53.31 H new ATOM 0 HB3 ALA A 48 14.144 -0.565 -8.145 1.00 53.31 H new ATOM 718 N PHE A 49 12.295 -2.457 -9.960 1.00 11.32 N ATOM 719 CA PHE A 49 10.907 -2.915 -10.134 1.00 62.30 C ATOM 720 C PHE A 49 10.844 -4.424 -10.443 1.00 44.51 C ATOM 721 O PHE A 49 9.934 -5.126 -9.992 1.00 70.44 O ATOM 722 CB PHE A 49 10.213 -2.126 -11.260 1.00 61.11 C ATOM 723 CG PHE A 49 9.879 -0.692 -10.908 1.00 4.33 C ATOM 724 CD1 PHE A 49 10.876 0.266 -10.795 1.00 11.15 C ATOM 725 CD2 PHE A 49 8.562 -0.304 -10.692 1.00 71.21 C ATOM 726 CE1 PHE A 49 10.568 1.576 -10.475 1.00 22.02 C ATOM 727 CE2 PHE A 49 8.251 1.005 -10.371 1.00 3.02 C ATOM 728 CZ PHE A 49 9.256 1.946 -10.262 1.00 11.14 C ATOM 0 H PHE A 49 12.570 -1.709 -10.596 1.00 11.32 H new ATOM 0 HA PHE A 49 10.385 -2.735 -9.194 1.00 62.30 H new ATOM 0 HB2 PHE A 49 10.857 -2.130 -12.140 1.00 61.11 H new ATOM 0 HB3 PHE A 49 9.294 -2.643 -11.535 1.00 61.11 H new ATOM 0 HD1 PHE A 49 11.906 -0.015 -10.959 1.00 11.15 H new ATOM 0 HD2 PHE A 49 7.771 -1.034 -10.776 1.00 71.21 H new ATOM 0 HE1 PHE A 49 11.356 2.310 -10.392 1.00 22.02 H new ATOM 0 HE2 PHE A 49 7.223 1.291 -10.206 1.00 3.02 H new ATOM 0 HZ PHE A 49 9.016 2.968 -10.011 1.00 11.14 H new ATOM 738 N ASP A 50 11.812 -4.911 -11.225 1.00 2.55 N ATOM 739 CA ASP A 50 11.901 -6.338 -11.564 1.00 60.33 C ATOM 740 C ASP A 50 12.481 -7.164 -10.402 1.00 10.22 C ATOM 741 O ASP A 50 12.068 -8.304 -10.164 1.00 71.10 O ATOM 742 CB ASP A 50 12.771 -6.532 -12.812 1.00 41.34 C ATOM 743 CG ASP A 50 12.184 -5.857 -14.033 1.00 71.24 C ATOM 744 OD1 ASP A 50 11.369 -6.490 -14.735 1.00 23.45 O ATOM 745 OD2 ASP A 50 12.514 -4.681 -14.290 1.00 63.32 O ATOM 0 H ASP A 50 12.548 -4.338 -11.637 1.00 2.55 H new ATOM 0 HA ASP A 50 10.889 -6.691 -11.761 1.00 60.33 H new ATOM 0 HB2 ASP A 50 13.768 -6.133 -12.623 1.00 41.34 H new ATOM 0 HB3 ASP A 50 12.887 -7.598 -13.009 1.00 41.34 H new ATOM 750 N ALA A 51 13.441 -6.582 -9.686 1.00 52.15 N ATOM 751 CA ALA A 51 14.131 -7.276 -8.592 1.00 35.15 C ATOM 752 C ALA A 51 13.243 -7.428 -7.347 1.00 24.13 C ATOM 753 O ALA A 51 13.015 -8.538 -6.865 1.00 14.23 O ATOM 754 CB ALA A 51 15.421 -6.540 -8.236 1.00 5.54 C ATOM 0 H ALA A 51 13.762 -5.627 -9.842 1.00 52.15 H new ATOM 0 HA ALA A 51 14.370 -8.280 -8.942 1.00 35.15 H new ATOM 0 HB1 ALA A 51 15.926 -7.063 -7.423 1.00 5.54 H new ATOM 0 HB2 ALA A 51 16.074 -6.508 -9.108 1.00 5.54 H new ATOM 0 HB3 ALA A 51 15.185 -5.523 -7.922 1.00 5.54 H new ATOM 760 N THR A 52 12.752 -6.307 -6.830 1.00 22.51 N ATOM 761 CA THR A 52 11.950 -6.298 -5.597 1.00 54.20 C ATOM 762 C THR A 52 10.542 -6.875 -5.820 1.00 32.41 C ATOM 763 O THR A 52 9.801 -6.423 -6.696 1.00 22.42 O ATOM 764 CB THR A 52 11.836 -4.864 -5.019 1.00 2.22 C ATOM 765 OG1 THR A 52 13.147 -4.365 -4.700 1.00 33.41 O ATOM 766 CG2 THR A 52 10.961 -4.826 -3.769 1.00 24.14 C ATOM 0 H THR A 52 12.893 -5.385 -7.243 1.00 22.51 H new ATOM 0 HA THR A 52 12.470 -6.935 -4.882 1.00 54.20 H new ATOM 0 HB THR A 52 11.369 -4.236 -5.777 1.00 2.22 H new ATOM 0 HG1 THR A 52 13.072 -3.458 -4.337 1.00 33.41 H new ATOM 0 HG21 THR A 52 10.906 -3.804 -3.394 1.00 24.14 H new ATOM 0 HG22 THR A 52 9.959 -5.176 -4.016 1.00 24.14 H new ATOM 0 HG23 THR A 52 11.392 -5.471 -3.003 1.00 24.14 H new ATOM 774 N THR A 53 10.178 -7.866 -5.007 1.00 1.34 N ATOM 775 CA THR A 53 8.881 -8.547 -5.130 1.00 30.13 C ATOM 776 C THR A 53 7.908 -8.135 -4.019 1.00 32.44 C ATOM 777 O THR A 53 8.285 -8.015 -2.853 1.00 2.53 O ATOM 778 CB THR A 53 9.039 -10.088 -5.101 1.00 50.42 C ATOM 779 OG1 THR A 53 9.679 -10.503 -3.882 1.00 2.10 O ATOM 780 CG2 THR A 53 9.853 -10.579 -6.295 1.00 14.52 C ATOM 0 H THR A 53 10.764 -8.220 -4.251 1.00 1.34 H new ATOM 0 HA THR A 53 8.474 -8.241 -6.094 1.00 30.13 H new ATOM 0 HB THR A 53 8.042 -10.525 -5.154 1.00 50.42 H new ATOM 0 HG1 THR A 53 9.771 -11.479 -3.876 1.00 2.10 H new ATOM 0 HG21 THR A 53 9.948 -11.664 -6.249 1.00 14.52 H new ATOM 0 HG22 THR A 53 9.349 -10.298 -7.220 1.00 14.52 H new ATOM 0 HG23 THR A 53 10.844 -10.127 -6.270 1.00 14.52 H new ATOM 788 N VAL A 54 6.649 -7.927 -4.392 1.00 31.04 N ATOM 789 CA VAL A 54 5.592 -7.573 -3.434 1.00 63.52 C ATOM 790 C VAL A 54 4.823 -8.825 -2.978 1.00 73.32 C ATOM 791 O VAL A 54 4.388 -9.632 -3.804 1.00 61.02 O ATOM 792 CB VAL A 54 4.597 -6.557 -4.056 1.00 25.43 C ATOM 793 CG1 VAL A 54 3.556 -6.114 -3.032 1.00 34.12 C ATOM 794 CG2 VAL A 54 5.341 -5.353 -4.634 1.00 63.44 C ATOM 0 H VAL A 54 6.328 -7.997 -5.358 1.00 31.04 H new ATOM 0 HA VAL A 54 6.074 -7.116 -2.570 1.00 63.52 H new ATOM 0 HB VAL A 54 4.073 -7.055 -4.872 1.00 25.43 H new ATOM 0 HG11 VAL A 54 2.871 -5.402 -3.494 1.00 34.12 H new ATOM 0 HG12 VAL A 54 2.996 -6.982 -2.683 1.00 34.12 H new ATOM 0 HG13 VAL A 54 4.056 -5.641 -2.187 1.00 34.12 H new ATOM 0 HG21 VAL A 54 4.624 -4.654 -5.064 1.00 63.44 H new ATOM 0 HG22 VAL A 54 5.901 -4.856 -3.841 1.00 63.44 H new ATOM 0 HG23 VAL A 54 6.030 -5.689 -5.409 1.00 63.44 H new ATOM 804 N LYS A 55 4.671 -8.991 -1.663 1.00 13.25 N ATOM 805 CA LYS A 55 3.957 -10.144 -1.101 1.00 32.41 C ATOM 806 C LYS A 55 3.000 -9.730 0.027 1.00 73.41 C ATOM 807 O LYS A 55 2.895 -8.554 0.377 1.00 23.33 O ATOM 808 CB LYS A 55 4.954 -11.190 -0.583 1.00 33.43 C ATOM 809 CG LYS A 55 5.754 -11.879 -1.683 1.00 72.42 C ATOM 810 CD LYS A 55 6.743 -12.889 -1.111 1.00 11.11 C ATOM 811 CE LYS A 55 7.539 -13.580 -2.209 1.00 4.20 C ATOM 812 NZ LYS A 55 8.588 -14.467 -1.650 1.00 12.44 N ATOM 0 H LYS A 55 5.033 -8.342 -0.964 1.00 13.25 H new ATOM 0 HA LYS A 55 3.360 -10.579 -1.903 1.00 32.41 H new ATOM 0 HB2 LYS A 55 5.646 -10.708 0.108 1.00 33.43 H new ATOM 0 HB3 LYS A 55 4.411 -11.945 -0.015 1.00 33.43 H new ATOM 0 HG2 LYS A 55 5.072 -12.384 -2.367 1.00 72.42 H new ATOM 0 HG3 LYS A 55 6.293 -11.131 -2.265 1.00 72.42 H new ATOM 0 HD2 LYS A 55 7.427 -12.383 -0.429 1.00 11.11 H new ATOM 0 HD3 LYS A 55 6.204 -13.635 -0.527 1.00 11.11 H new ATOM 0 HE2 LYS A 55 6.864 -14.164 -2.835 1.00 4.20 H new ATOM 0 HE3 LYS A 55 8.001 -12.830 -2.851 1.00 4.20 H new ATOM 0 HZ1 LYS A 55 9.110 -14.920 -2.427 1.00 12.44 H new ATOM 0 HZ2 LYS A 55 9.246 -13.905 -1.073 1.00 12.44 H new ATOM 0 HZ3 LYS A 55 8.145 -15.198 -1.058 1.00 12.44 H new ATOM 826 N ASP A 56 2.313 -10.715 0.599 1.00 14.04 N ATOM 827 CA ASP A 56 1.307 -10.472 1.637 1.00 34.43 C ATOM 828 C ASP A 56 1.888 -9.710 2.848 1.00 0.22 C ATOM 829 O ASP A 56 2.596 -10.287 3.676 1.00 21.04 O ATOM 830 CB ASP A 56 0.708 -11.814 2.085 1.00 64.23 C ATOM 831 CG ASP A 56 -0.456 -11.651 3.043 1.00 15.41 C ATOM 832 OD1 ASP A 56 -1.586 -11.428 2.569 1.00 22.23 O ATOM 833 OD2 ASP A 56 -0.251 -11.754 4.270 1.00 42.34 O ATOM 0 H ASP A 56 2.434 -11.699 0.360 1.00 14.04 H new ATOM 0 HA ASP A 56 0.528 -9.840 1.211 1.00 34.43 H new ATOM 0 HB2 ASP A 56 0.375 -12.368 1.208 1.00 64.23 H new ATOM 0 HB3 ASP A 56 1.485 -12.411 2.563 1.00 64.23 H new ATOM 838 N GLY A 57 1.600 -8.408 2.931 1.00 65.05 N ATOM 839 CA GLY A 57 2.039 -7.603 4.072 1.00 33.22 C ATOM 840 C GLY A 57 2.898 -6.400 3.685 1.00 33.22 C ATOM 841 O GLY A 57 3.395 -5.680 4.556 1.00 61.11 O ATOM 0 H GLY A 57 1.070 -7.893 2.228 1.00 65.05 H new ATOM 0 HA2 GLY A 57 1.162 -7.251 4.615 1.00 33.22 H new ATOM 0 HA3 GLY A 57 2.605 -8.236 4.755 1.00 33.22 H new ATOM 845 N ASP A 58 3.071 -6.169 2.387 1.00 61.03 N ATOM 846 CA ASP A 58 3.888 -5.052 1.903 1.00 72.44 C ATOM 847 C ASP A 58 3.058 -3.772 1.697 1.00 51.23 C ATOM 848 O ASP A 58 1.887 -3.820 1.316 1.00 22.13 O ATOM 849 CB ASP A 58 4.595 -5.436 0.597 1.00 63.14 C ATOM 850 CG ASP A 58 5.807 -6.319 0.834 1.00 41.32 C ATOM 851 OD1 ASP A 58 6.880 -5.778 1.172 1.00 44.13 O ATOM 852 OD2 ASP A 58 5.699 -7.554 0.687 1.00 74.01 O ATOM 0 H ASP A 58 2.658 -6.738 1.648 1.00 61.03 H new ATOM 0 HA ASP A 58 4.633 -4.840 2.670 1.00 72.44 H new ATOM 0 HB2 ASP A 58 3.892 -5.955 -0.055 1.00 63.14 H new ATOM 0 HB3 ASP A 58 4.905 -4.531 0.075 1.00 63.14 H new ATOM 857 N ALA A 59 3.680 -2.629 1.971 1.00 40.43 N ATOM 858 CA ALA A 59 3.050 -1.323 1.755 1.00 4.51 C ATOM 859 C ALA A 59 3.610 -0.638 0.500 1.00 51.02 C ATOM 860 O ALA A 59 4.825 -0.571 0.312 1.00 2.12 O ATOM 861 CB ALA A 59 3.259 -0.435 2.978 1.00 21.20 C ATOM 0 H ALA A 59 4.627 -2.578 2.346 1.00 40.43 H new ATOM 0 HA ALA A 59 1.982 -1.480 1.604 1.00 4.51 H new ATOM 0 HB1 ALA A 59 2.788 0.533 2.809 1.00 21.20 H new ATOM 0 HB2 ALA A 59 2.812 -0.909 3.852 1.00 21.20 H new ATOM 0 HB3 ALA A 59 4.327 -0.295 3.147 1.00 21.20 H new ATOM 867 N VAL A 60 2.723 -0.136 -0.356 1.00 10.11 N ATOM 868 CA VAL A 60 3.138 0.572 -1.573 1.00 3.53 C ATOM 869 C VAL A 60 2.186 1.742 -1.897 1.00 4.11 C ATOM 870 O VAL A 60 0.991 1.551 -2.136 1.00 21.51 O ATOM 871 CB VAL A 60 3.232 -0.395 -2.787 1.00 54.45 C ATOM 872 CG1 VAL A 60 1.909 -1.121 -3.024 1.00 72.35 C ATOM 873 CG2 VAL A 60 3.680 0.352 -4.043 1.00 30.21 C ATOM 0 H VAL A 60 1.713 -0.204 -0.233 1.00 10.11 H new ATOM 0 HA VAL A 60 4.130 0.981 -1.382 1.00 3.53 H new ATOM 0 HB VAL A 60 3.984 -1.149 -2.554 1.00 54.45 H new ATOM 0 HG11 VAL A 60 2.009 -1.789 -3.880 1.00 72.35 H new ATOM 0 HG12 VAL A 60 1.649 -1.701 -2.139 1.00 72.35 H new ATOM 0 HG13 VAL A 60 1.124 -0.391 -3.223 1.00 72.35 H new ATOM 0 HG21 VAL A 60 3.739 -0.345 -4.879 1.00 30.21 H new ATOM 0 HG22 VAL A 60 2.961 1.138 -4.275 1.00 30.21 H new ATOM 0 HG23 VAL A 60 4.660 0.797 -3.872 1.00 30.21 H new ATOM 883 N GLU A 61 2.717 2.962 -1.890 1.00 73.15 N ATOM 884 CA GLU A 61 1.905 4.157 -2.134 1.00 11.20 C ATOM 885 C GLU A 61 2.074 4.682 -3.570 1.00 2.15 C ATOM 886 O GLU A 61 3.021 5.401 -3.884 1.00 70.12 O ATOM 887 CB GLU A 61 2.254 5.242 -1.105 1.00 5.30 C ATOM 888 CG GLU A 61 1.357 6.475 -1.168 1.00 72.24 C ATOM 889 CD GLU A 61 1.442 7.322 0.090 1.00 55.32 C ATOM 890 OE1 GLU A 61 2.394 8.115 0.221 1.00 70.33 O ATOM 891 OE2 GLU A 61 0.553 7.194 0.960 1.00 42.43 O ATOM 0 H GLU A 61 3.704 3.152 -1.719 1.00 73.15 H new ATOM 0 HA GLU A 61 0.856 3.884 -2.020 1.00 11.20 H new ATOM 0 HB2 GLU A 61 2.192 4.812 -0.105 1.00 5.30 H new ATOM 0 HB3 GLU A 61 3.288 5.551 -1.256 1.00 5.30 H new ATOM 0 HG2 GLU A 61 1.638 7.081 -2.029 1.00 72.24 H new ATOM 0 HG3 GLU A 61 0.324 6.162 -1.322 1.00 72.24 H new ATOM 898 N PHE A 62 1.146 4.295 -4.445 1.00 63.11 N ATOM 899 CA PHE A 62 1.149 4.753 -5.838 1.00 73.02 C ATOM 900 C PHE A 62 0.594 6.184 -5.924 1.00 33.30 C ATOM 901 O PHE A 62 -0.619 6.387 -6.023 1.00 53.20 O ATOM 902 CB PHE A 62 0.318 3.794 -6.709 1.00 23.14 C ATOM 903 CG PHE A 62 0.582 3.913 -8.195 1.00 73.24 C ATOM 904 CD1 PHE A 62 -0.015 4.914 -8.949 1.00 73.24 C ATOM 905 CD2 PHE A 62 1.426 3.014 -8.834 1.00 54.51 C ATOM 906 CE1 PHE A 62 0.229 5.017 -10.307 1.00 0.21 C ATOM 907 CE2 PHE A 62 1.672 3.114 -10.189 1.00 21.13 C ATOM 908 CZ PHE A 62 1.073 4.114 -10.927 1.00 1.42 C ATOM 0 H PHE A 62 0.379 3.663 -4.214 1.00 63.11 H new ATOM 0 HA PHE A 62 2.173 4.758 -6.210 1.00 73.02 H new ATOM 0 HB2 PHE A 62 0.522 2.770 -6.397 1.00 23.14 H new ATOM 0 HB3 PHE A 62 -0.740 3.979 -6.524 1.00 23.14 H new ATOM 0 HD1 PHE A 62 -0.677 5.620 -8.470 1.00 73.24 H new ATOM 0 HD2 PHE A 62 1.896 2.226 -8.264 1.00 54.51 H new ATOM 0 HE1 PHE A 62 -0.239 5.802 -10.882 1.00 0.21 H new ATOM 0 HE2 PHE A 62 2.333 2.409 -10.671 1.00 21.13 H new ATOM 0 HZ PHE A 62 1.263 4.191 -11.987 1.00 1.42 H new ATOM 918 N LEU A 63 1.487 7.170 -5.857 1.00 42.02 N ATOM 919 CA LEU A 63 1.092 8.586 -5.819 1.00 3.04 C ATOM 920 C LEU A 63 0.370 9.052 -7.099 1.00 12.13 C ATOM 921 O LEU A 63 0.804 8.776 -8.218 1.00 10.30 O ATOM 922 CB LEU A 63 2.324 9.468 -5.574 1.00 23.13 C ATOM 923 CG LEU A 63 2.996 9.302 -4.200 1.00 5.02 C ATOM 924 CD1 LEU A 63 4.240 10.182 -4.099 1.00 73.23 C ATOM 925 CD2 LEU A 63 2.013 9.627 -3.076 1.00 24.42 C ATOM 0 H LEU A 63 2.495 7.018 -5.828 1.00 42.02 H new ATOM 0 HA LEU A 63 0.382 8.687 -4.998 1.00 3.04 H new ATOM 0 HB2 LEU A 63 3.062 9.254 -6.348 1.00 23.13 H new ATOM 0 HB3 LEU A 63 2.031 10.511 -5.692 1.00 23.13 H new ATOM 0 HG LEU A 63 3.304 8.262 -4.094 1.00 5.02 H new ATOM 0 HD11 LEU A 63 4.701 10.050 -3.120 1.00 73.23 H new ATOM 0 HD12 LEU A 63 4.950 9.898 -4.875 1.00 73.23 H new ATOM 0 HD13 LEU A 63 3.958 11.227 -4.230 1.00 73.23 H new ATOM 0 HD21 LEU A 63 2.508 9.503 -2.113 1.00 24.42 H new ATOM 0 HD22 LEU A 63 1.671 10.657 -3.179 1.00 24.42 H new ATOM 0 HD23 LEU A 63 1.158 8.953 -3.134 1.00 24.42 H new