USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 416 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 31 GLN : amide:sc= -1.31 K(o=-5.4,f=-4) USER MOD Set 1.2: A 35 HIS : no HD1:sc= -4.07 K(o=-5.4,f=-3.2!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 54:sc= 0.788 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.69! K(o=-1.7!,f=0.29) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -119:sc= 0.0806 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= -1.33 (180deg=-3.75!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0.0848 X(o=0.085,f=-0.039) USER MOD Single : A 19 CYS SG : rot -160:sc= -0.13 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -130:sc= -0.0141 (180deg=-0.34) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 47 SER OG : rot 46:sc= 0.537 USER MOD Single : A 50 SER OG : rot -4:sc= 0.971 USER MOD Single : A 51 SER OG : rot 43:sc= 0.46 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 15.020 16.743 -14.936 1.00 0.00 N ATOM 2 CA GLY A -2 14.131 15.733 -15.480 1.00 0.00 C ATOM 3 C GLY A -2 14.315 14.382 -14.816 1.00 0.00 C ATOM 4 O GLY A -2 15.158 14.226 -13.934 1.00 0.00 O ATOM 0 H1 GLY A -2 14.458 17.513 -14.520 1.00 0.00 H new ATOM 0 H2 GLY A -2 15.621 16.317 -14.202 1.00 0.00 H new ATOM 0 H3 GLY A -2 15.619 17.124 -15.696 1.00 0.00 H new ATOM 0 HA2 GLY A -2 13.098 16.058 -15.356 1.00 0.00 H new ATOM 0 HA3 GLY A -2 14.309 15.636 -16.551 1.00 0.00 H new ATOM 8 N SER A -1 13.522 13.404 -15.241 1.00 0.00 N ATOM 9 CA SER A -1 13.597 12.060 -14.678 1.00 0.00 C ATOM 10 C SER A -1 13.712 11.014 -15.783 1.00 0.00 C ATOM 11 O SER A -1 13.059 11.118 -16.821 1.00 0.00 O ATOM 12 CB SER A -1 12.365 11.776 -13.817 1.00 0.00 C ATOM 13 OG SER A -1 12.251 10.393 -13.531 1.00 0.00 O ATOM 0 H SER A -1 12.820 13.516 -15.973 1.00 0.00 H new ATOM 0 HA SER A -1 14.489 12.003 -14.054 1.00 0.00 H new ATOM 0 HB2 SER A -1 12.430 12.339 -12.886 1.00 0.00 H new ATOM 0 HB3 SER A -1 11.469 12.119 -14.334 1.00 0.00 H new ATOM 0 HG SER A -1 11.457 10.238 -12.978 1.00 0.00 H new ATOM 19 N SER A 0 14.547 10.007 -15.551 1.00 0.00 N ATOM 20 CA SER A 0 14.751 8.943 -16.527 1.00 0.00 C ATOM 21 C SER A 0 14.025 7.670 -16.103 1.00 0.00 C ATOM 22 O SER A 0 13.932 7.360 -14.916 1.00 0.00 O ATOM 23 CB SER A 0 16.245 8.658 -16.697 1.00 0.00 C ATOM 24 OG SER A 0 16.456 7.455 -17.415 1.00 0.00 O ATOM 0 H SER A 0 15.093 9.905 -14.696 1.00 0.00 H new ATOM 0 HA SER A 0 14.340 9.275 -17.480 1.00 0.00 H new ATOM 0 HB2 SER A 0 16.719 9.487 -17.223 1.00 0.00 H new ATOM 0 HB3 SER A 0 16.719 8.589 -15.718 1.00 0.00 H new ATOM 0 HG SER A 0 17.418 7.296 -17.512 1.00 0.00 H new ATOM 30 N GLY A 1 13.510 6.935 -17.084 1.00 0.00 N ATOM 31 CA GLY A 1 12.798 5.704 -16.794 1.00 0.00 C ATOM 32 C GLY A 1 13.471 4.887 -15.710 1.00 0.00 C ATOM 33 O GLY A 1 14.572 4.372 -15.905 1.00 0.00 O ATOM 0 H GLY A 1 13.573 7.170 -18.075 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.779 5.941 -16.487 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.726 5.107 -17.703 1.00 0.00 H new ATOM 37 N SER A 2 12.810 4.768 -14.563 1.00 0.00 N ATOM 38 CA SER A 2 13.354 4.012 -13.441 1.00 0.00 C ATOM 39 C SER A 2 12.450 2.833 -13.091 1.00 0.00 C ATOM 40 O SER A 2 11.307 2.758 -13.543 1.00 0.00 O ATOM 41 CB SER A 2 13.523 4.919 -12.221 1.00 0.00 C ATOM 42 OG SER A 2 14.481 5.934 -12.469 1.00 0.00 O ATOM 0 H SER A 2 11.896 5.186 -14.386 1.00 0.00 H new ATOM 0 HA SER A 2 14.330 3.625 -13.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.565 5.373 -11.966 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.833 4.324 -11.362 1.00 0.00 H new ATOM 0 HG SER A 2 14.235 6.424 -13.281 1.00 0.00 H new ATOM 48 N SER A 3 12.971 1.916 -12.283 1.00 0.00 N ATOM 49 CA SER A 3 12.214 0.738 -11.875 1.00 0.00 C ATOM 50 C SER A 3 11.091 1.121 -10.916 1.00 0.00 C ATOM 51 O SER A 3 11.325 1.758 -9.890 1.00 0.00 O ATOM 52 CB SER A 3 13.139 -0.284 -11.212 1.00 0.00 C ATOM 53 OG SER A 3 12.401 -1.372 -10.683 1.00 0.00 O ATOM 0 H SER A 3 13.914 1.966 -11.898 1.00 0.00 H new ATOM 0 HA SER A 3 11.772 0.293 -12.767 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.862 -0.651 -11.940 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.706 0.197 -10.415 1.00 0.00 H new ATOM 0 HG SER A 3 13.015 -2.012 -10.266 1.00 0.00 H new ATOM 59 N GLY A 4 9.868 0.725 -11.258 1.00 0.00 N ATOM 60 CA GLY A 4 8.726 1.035 -10.419 1.00 0.00 C ATOM 61 C GLY A 4 8.684 0.189 -9.161 1.00 0.00 C ATOM 62 O GLY A 4 9.494 -0.722 -8.990 1.00 0.00 O ATOM 0 H GLY A 4 9.649 0.195 -12.101 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.757 2.089 -10.143 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.809 0.881 -10.988 1.00 0.00 H new ATOM 66 N VAL A 5 7.738 0.492 -8.278 1.00 0.00 N ATOM 67 CA VAL A 5 7.595 -0.247 -7.029 1.00 0.00 C ATOM 68 C VAL A 5 6.134 -0.589 -6.758 1.00 0.00 C ATOM 69 O VAL A 5 5.301 0.300 -6.584 1.00 0.00 O ATOM 70 CB VAL A 5 8.153 0.553 -5.836 1.00 0.00 C ATOM 71 CG1 VAL A 5 7.948 -0.212 -4.538 1.00 0.00 C ATOM 72 CG2 VAL A 5 9.625 0.870 -6.051 1.00 0.00 C ATOM 0 H VAL A 5 7.060 1.243 -8.404 1.00 0.00 H new ATOM 0 HA VAL A 5 8.167 -1.168 -7.139 1.00 0.00 H new ATOM 0 HB VAL A 5 7.608 1.494 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.348 0.368 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.883 -0.384 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.466 -1.170 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.004 1.435 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.187 -0.059 -6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.741 1.461 -6.959 1.00 0.00 H new ATOM 82 N GLU A 6 5.831 -1.883 -6.723 1.00 0.00 N ATOM 83 CA GLU A 6 4.470 -2.342 -6.473 1.00 0.00 C ATOM 84 C GLU A 6 4.201 -2.457 -4.975 1.00 0.00 C ATOM 85 O GLU A 6 5.107 -2.297 -4.156 1.00 0.00 O ATOM 86 CB GLU A 6 4.231 -3.693 -7.151 1.00 0.00 C ATOM 87 CG GLU A 6 4.445 -3.665 -8.655 1.00 0.00 C ATOM 88 CD GLU A 6 3.563 -2.646 -9.351 1.00 0.00 C ATOM 89 OE1 GLU A 6 2.369 -2.944 -9.565 1.00 0.00 O ATOM 90 OE2 GLU A 6 4.066 -1.552 -9.681 1.00 0.00 O ATOM 0 H GLU A 6 6.509 -2.631 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 6 3.783 -1.607 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.899 -4.434 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.212 -4.019 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.490 -3.439 -8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.244 -4.655 -9.065 1.00 0.00 H new ATOM 97 N LEU A 7 2.950 -2.736 -4.625 1.00 0.00 N ATOM 98 CA LEU A 7 2.560 -2.872 -3.226 1.00 0.00 C ATOM 99 C LEU A 7 2.840 -4.283 -2.718 1.00 0.00 C ATOM 100 O LEU A 7 3.196 -4.476 -1.555 1.00 0.00 O ATOM 101 CB LEU A 7 1.077 -2.542 -3.055 1.00 0.00 C ATOM 102 CG LEU A 7 0.650 -1.134 -3.473 1.00 0.00 C ATOM 103 CD1 LEU A 7 -0.864 -0.999 -3.427 1.00 0.00 C ATOM 104 CD2 LEU A 7 1.308 -0.091 -2.581 1.00 0.00 C ATOM 0 H LEU A 7 2.189 -2.872 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 7 3.152 -2.170 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.496 -3.262 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.812 -2.684 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 7 0.978 -0.965 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.149 0.009 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.315 -1.721 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.215 -1.188 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.993 0.905 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.011 -0.258 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.392 -0.172 -2.665 1.00 0.00 H new ATOM 116 N HIS A 8 2.679 -5.266 -3.598 1.00 0.00 N ATOM 117 CA HIS A 8 2.917 -6.660 -3.239 1.00 0.00 C ATOM 118 C HIS A 8 4.377 -7.039 -3.470 1.00 0.00 C ATOM 119 O HIS A 8 4.676 -8.105 -4.009 1.00 0.00 O ATOM 120 CB HIS A 8 2.005 -7.581 -4.050 1.00 0.00 C ATOM 121 CG HIS A 8 1.980 -7.261 -5.513 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.594 -8.047 -6.466 1.00 0.00 N ATOM 123 CD2 HIS A 8 1.408 -6.235 -6.186 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.403 -7.517 -7.660 1.00 0.00 C ATOM 125 NE2 HIS A 8 1.686 -6.417 -7.518 1.00 0.00 N ATOM 0 H HIS A 8 2.385 -5.123 -4.564 1.00 0.00 H new ATOM 0 HA HIS A 8 2.692 -6.780 -2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.333 -8.612 -3.917 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.991 -7.515 -3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.839 -5.424 -5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.771 -7.915 -8.594 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.387 -5.802 -8.275 1.00 0.00 H new ATOM 133 N LYS A 9 5.284 -6.158 -3.060 1.00 0.00 N ATOM 134 CA LYS A 9 6.713 -6.399 -3.222 1.00 0.00 C ATOM 135 C LYS A 9 7.451 -6.195 -1.903 1.00 0.00 C ATOM 136 O LYS A 9 8.302 -7.001 -1.524 1.00 0.00 O ATOM 137 CB LYS A 9 7.290 -5.468 -4.291 1.00 0.00 C ATOM 138 CG LYS A 9 6.790 -5.769 -5.693 1.00 0.00 C ATOM 139 CD LYS A 9 7.611 -6.862 -6.356 1.00 0.00 C ATOM 140 CE LYS A 9 7.084 -8.245 -6.006 1.00 0.00 C ATOM 141 NZ LYS A 9 7.403 -9.244 -7.063 1.00 0.00 N ATOM 0 H LYS A 9 5.054 -5.270 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 9 6.849 -7.433 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.039 -4.438 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.377 -5.543 -4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.744 -6.074 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.833 -4.863 -6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.592 -6.727 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.652 -6.778 -6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.515 -8.569 -5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.004 -8.197 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.027 -10.174 -6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.971 -8.949 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.434 -9.309 -7.180 1.00 0.00 H new ATOM 155 N LEU A 10 7.120 -5.113 -1.206 1.00 0.00 N ATOM 156 CA LEU A 10 7.751 -4.804 0.073 1.00 0.00 C ATOM 157 C LEU A 10 7.427 -5.872 1.113 1.00 0.00 C ATOM 158 O LEU A 10 6.371 -6.504 1.061 1.00 0.00 O ATOM 159 CB LEU A 10 7.291 -3.434 0.573 1.00 0.00 C ATOM 160 CG LEU A 10 7.423 -2.279 -0.421 1.00 0.00 C ATOM 161 CD1 LEU A 10 6.547 -1.109 0.002 1.00 0.00 C ATOM 162 CD2 LEU A 10 8.875 -1.842 -0.543 1.00 0.00 C ATOM 0 H LEU A 10 6.419 -4.435 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 10 8.830 -4.786 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.246 -3.511 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.862 -3.185 1.467 1.00 0.00 H new ATOM 0 HG LEU A 10 7.086 -2.626 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.653 -0.296 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.505 -1.428 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.854 -0.763 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.949 -1.020 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.239 -1.514 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.479 -2.679 -0.893 1.00 0.00 H new ATOM 174 N LYS A 11 8.340 -6.067 2.058 1.00 0.00 N ATOM 175 CA LYS A 11 8.151 -7.056 3.113 1.00 0.00 C ATOM 176 C LYS A 11 7.043 -6.626 4.069 1.00 0.00 C ATOM 177 O LYS A 11 6.498 -5.528 3.950 1.00 0.00 O ATOM 178 CB LYS A 11 9.455 -7.262 3.886 1.00 0.00 C ATOM 179 CG LYS A 11 10.546 -7.935 3.070 1.00 0.00 C ATOM 180 CD LYS A 11 11.769 -8.240 3.919 1.00 0.00 C ATOM 181 CE LYS A 11 11.505 -9.385 4.885 1.00 0.00 C ATOM 182 NZ LYS A 11 10.831 -8.918 6.128 1.00 0.00 N ATOM 0 H LYS A 11 9.219 -5.553 2.115 1.00 0.00 H new ATOM 0 HA LYS A 11 7.860 -7.997 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.818 -6.295 4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.251 -7.864 4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.161 -8.859 2.639 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.831 -7.290 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.608 -8.495 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.056 -7.350 4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.885 -10.137 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.448 -9.868 5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.340 -9.284 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.831 -7.878 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.851 -9.265 6.143 1.00 0.00 H new ATOM 196 N LEU A 12 6.716 -7.496 5.018 1.00 0.00 N ATOM 197 CA LEU A 12 5.674 -7.206 5.996 1.00 0.00 C ATOM 198 C LEU A 12 6.015 -5.954 6.799 1.00 0.00 C ATOM 199 O LEU A 12 5.164 -5.091 7.013 1.00 0.00 O ATOM 200 CB LEU A 12 5.487 -8.395 6.940 1.00 0.00 C ATOM 201 CG LEU A 12 4.213 -8.388 7.785 1.00 0.00 C ATOM 202 CD1 LEU A 12 2.982 -8.452 6.895 1.00 0.00 C ATOM 203 CD2 LEU A 12 4.221 -9.546 8.772 1.00 0.00 C ATOM 0 H LEU A 12 7.158 -8.408 5.131 1.00 0.00 H new ATOM 0 HA LEU A 12 4.743 -7.028 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.501 -9.309 6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.344 -8.438 7.612 1.00 0.00 H new ATOM 0 HG LEU A 12 4.180 -7.456 8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.085 -8.446 7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.969 -7.589 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.008 -9.367 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.307 -9.525 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.279 -10.488 8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.084 -9.455 9.432 1.00 0.00 H new ATOM 215 N ALA A 13 7.265 -5.862 7.239 1.00 0.00 N ATOM 216 CA ALA A 13 7.719 -4.714 8.014 1.00 0.00 C ATOM 217 C ALA A 13 7.592 -3.424 7.211 1.00 0.00 C ATOM 218 O ALA A 13 7.181 -2.392 7.739 1.00 0.00 O ATOM 219 CB ALA A 13 9.158 -4.918 8.465 1.00 0.00 C ATOM 0 H ALA A 13 7.982 -6.569 7.072 1.00 0.00 H new ATOM 0 HA ALA A 13 7.082 -4.627 8.894 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.484 -4.053 9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.222 -5.813 9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.800 -5.034 7.592 1.00 0.00 H new ATOM 225 N GLU A 14 7.950 -3.491 5.932 1.00 0.00 N ATOM 226 CA GLU A 14 7.877 -2.327 5.057 1.00 0.00 C ATOM 227 C GLU A 14 6.430 -1.879 4.867 1.00 0.00 C ATOM 228 O GLU A 14 6.126 -0.687 4.919 1.00 0.00 O ATOM 229 CB GLU A 14 8.507 -2.642 3.699 1.00 0.00 C ATOM 230 CG GLU A 14 10.026 -2.598 3.708 1.00 0.00 C ATOM 231 CD GLU A 14 10.568 -1.214 4.006 1.00 0.00 C ATOM 232 OE1 GLU A 14 10.172 -0.259 3.306 1.00 0.00 O ATOM 233 OE2 GLU A 14 11.388 -1.086 4.939 1.00 0.00 O ATOM 0 H GLU A 14 8.293 -4.338 5.480 1.00 0.00 H new ATOM 0 HA GLU A 14 8.432 -1.515 5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.182 -3.632 3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.136 -1.930 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.402 -3.299 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.401 -2.930 2.740 1.00 0.00 H new ATOM 240 N LEU A 15 5.543 -2.843 4.647 1.00 0.00 N ATOM 241 CA LEU A 15 4.128 -2.549 4.448 1.00 0.00 C ATOM 242 C LEU A 15 3.542 -1.844 5.667 1.00 0.00 C ATOM 243 O LEU A 15 2.853 -0.831 5.542 1.00 0.00 O ATOM 244 CB LEU A 15 3.354 -3.838 4.169 1.00 0.00 C ATOM 245 CG LEU A 15 3.679 -4.544 2.852 1.00 0.00 C ATOM 246 CD1 LEU A 15 2.952 -5.878 2.768 1.00 0.00 C ATOM 247 CD2 LEU A 15 3.314 -3.660 1.668 1.00 0.00 C ATOM 0 H LEU A 15 5.778 -3.834 4.602 1.00 0.00 H new ATOM 0 HA LEU A 15 4.037 -1.885 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.540 -4.534 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.289 -3.608 4.182 1.00 0.00 H new ATOM 0 HG LEU A 15 4.752 -4.735 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.195 -6.366 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.263 -6.515 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.876 -5.710 2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.552 -4.179 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.247 -3.437 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.881 -2.730 1.720 1.00 0.00 H new ATOM 259 N LYS A 16 3.821 -2.386 6.848 1.00 0.00 N ATOM 260 CA LYS A 16 3.326 -1.808 8.092 1.00 0.00 C ATOM 261 C LYS A 16 3.794 -0.364 8.246 1.00 0.00 C ATOM 262 O LYS A 16 3.027 0.505 8.660 1.00 0.00 O ATOM 263 CB LYS A 16 3.797 -2.638 9.288 1.00 0.00 C ATOM 264 CG LYS A 16 2.974 -3.893 9.520 1.00 0.00 C ATOM 265 CD LYS A 16 3.347 -4.571 10.827 1.00 0.00 C ATOM 266 CE LYS A 16 2.321 -5.623 11.222 1.00 0.00 C ATOM 267 NZ LYS A 16 2.480 -6.048 12.641 1.00 0.00 N ATOM 0 H LYS A 16 4.388 -3.225 6.970 1.00 0.00 H new ATOM 0 HA LYS A 16 2.237 -1.817 8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.839 -2.920 9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.762 -2.020 10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.914 -3.637 9.531 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.126 -4.587 8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.328 -5.036 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.426 -3.823 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.317 -5.225 11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.421 -6.491 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.763 -6.765 12.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.429 -6.451 12.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.359 -5.225 13.265 1.00 0.00 H new ATOM 281 N GLN A 17 5.055 -0.117 7.909 1.00 0.00 N ATOM 282 CA GLN A 17 5.624 1.222 8.009 1.00 0.00 C ATOM 283 C GLN A 17 4.857 2.206 7.132 1.00 0.00 C ATOM 284 O GLN A 17 4.594 3.338 7.537 1.00 0.00 O ATOM 285 CB GLN A 17 7.099 1.204 7.607 1.00 0.00 C ATOM 286 CG GLN A 17 7.774 2.563 7.707 1.00 0.00 C ATOM 287 CD GLN A 17 7.869 3.063 9.135 1.00 0.00 C ATOM 288 OE1 GLN A 17 8.810 2.735 9.858 1.00 0.00 O ATOM 289 NE2 GLN A 17 6.894 3.863 9.549 1.00 0.00 N ATOM 0 H GLN A 17 5.702 -0.826 7.564 1.00 0.00 H new ATOM 0 HA GLN A 17 5.542 1.548 9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.631 0.496 8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.183 0.840 6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.775 2.499 7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.218 3.285 7.109 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.133 4.109 8.916 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.906 4.232 10.500 1.00 0.00 H new ATOM 298 N GLU A 18 4.503 1.767 5.928 1.00 0.00 N ATOM 299 CA GLU A 18 3.768 2.611 4.994 1.00 0.00 C ATOM 300 C GLU A 18 2.416 3.017 5.574 1.00 0.00 C ATOM 301 O GLU A 18 2.034 4.186 5.525 1.00 0.00 O ATOM 302 CB GLU A 18 3.565 1.881 3.664 1.00 0.00 C ATOM 303 CG GLU A 18 4.864 1.468 2.992 1.00 0.00 C ATOM 304 CD GLU A 18 4.754 1.436 1.480 1.00 0.00 C ATOM 305 OE1 GLU A 18 3.625 1.275 0.971 1.00 0.00 O ATOM 306 OE2 GLU A 18 5.796 1.570 0.806 1.00 0.00 O ATOM 0 H GLU A 18 4.713 0.833 5.577 1.00 0.00 H new ATOM 0 HA GLU A 18 4.355 3.513 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.956 0.993 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.005 2.526 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.654 2.161 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.158 0.482 3.352 1.00 0.00 H new ATOM 313 N CYS A 19 1.699 2.043 6.123 1.00 0.00 N ATOM 314 CA CYS A 19 0.389 2.298 6.713 1.00 0.00 C ATOM 315 C CYS A 19 0.502 3.254 7.895 1.00 0.00 C ATOM 316 O CYS A 19 -0.366 4.103 8.106 1.00 0.00 O ATOM 317 CB CYS A 19 -0.255 0.985 7.162 1.00 0.00 C ATOM 318 SG CYS A 19 -1.015 0.039 5.823 1.00 0.00 S ATOM 0 H CYS A 19 2.002 1.070 6.172 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.241 2.762 5.954 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.503 0.367 7.644 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.013 1.203 7.914 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.873 -0.803 6.319 1.00 0.00 H new ATOM 324 N LEU A 20 1.575 3.111 8.665 1.00 0.00 N ATOM 325 CA LEU A 20 1.801 3.961 9.829 1.00 0.00 C ATOM 326 C LEU A 20 1.922 5.425 9.418 1.00 0.00 C ATOM 327 O LEU A 20 1.337 6.307 10.046 1.00 0.00 O ATOM 328 CB LEU A 20 3.065 3.521 10.569 1.00 0.00 C ATOM 329 CG LEU A 20 3.088 3.787 12.075 1.00 0.00 C ATOM 330 CD1 LEU A 20 4.174 2.961 12.746 1.00 0.00 C ATOM 331 CD2 LEU A 20 3.295 5.269 12.351 1.00 0.00 C ATOM 0 H LEU A 20 2.302 2.414 8.504 1.00 0.00 H new ATOM 0 HA LEU A 20 0.944 3.859 10.495 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.203 2.452 10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.920 4.025 10.118 1.00 0.00 H new ATOM 0 HG LEU A 20 2.125 3.491 12.492 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.175 3.163 13.817 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.982 1.901 12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.144 3.225 12.326 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.309 5.440 13.427 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.243 5.590 11.920 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.481 5.840 11.903 1.00 0.00 H new ATOM 343 N ALA A 21 2.685 5.676 8.359 1.00 0.00 N ATOM 344 CA ALA A 21 2.879 7.032 7.861 1.00 0.00 C ATOM 345 C ALA A 21 1.597 7.580 7.246 1.00 0.00 C ATOM 346 O ALA A 21 1.290 8.765 7.379 1.00 0.00 O ATOM 347 CB ALA A 21 4.011 7.064 6.844 1.00 0.00 C ATOM 0 H ALA A 21 3.179 4.958 7.829 1.00 0.00 H new ATOM 0 HA ALA A 21 3.146 7.668 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.145 8.083 6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.933 6.723 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.767 6.409 6.007 1.00 0.00 H new ATOM 353 N ARG A 22 0.851 6.712 6.571 1.00 0.00 N ATOM 354 CA ARG A 22 -0.398 7.110 5.933 1.00 0.00 C ATOM 355 C ARG A 22 -1.496 7.318 6.971 1.00 0.00 C ATOM 356 O ARG A 22 -2.384 8.152 6.793 1.00 0.00 O ATOM 357 CB ARG A 22 -0.836 6.054 4.917 1.00 0.00 C ATOM 358 CG ARG A 22 0.090 5.942 3.717 1.00 0.00 C ATOM 359 CD ARG A 22 -0.637 5.389 2.501 1.00 0.00 C ATOM 360 NE ARG A 22 -1.261 6.445 1.709 1.00 0.00 N ATOM 361 CZ ARG A 22 -0.578 7.411 1.104 1.00 0.00 C ATOM 362 NH1 ARG A 22 0.744 7.453 1.200 1.00 0.00 N ATOM 363 NH2 ARG A 22 -1.217 8.337 0.400 1.00 0.00 N ATOM 0 H ARG A 22 1.090 5.728 6.452 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.227 8.054 5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.892 5.085 5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.841 6.292 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.501 6.923 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.931 5.295 3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.067 4.837 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.399 4.681 2.826 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.277 6.441 1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.239 6.743 1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.266 8.196 0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.234 8.308 0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.691 9.078 -0.064 1.00 0.00 H new ATOM 377 N GLY A 23 -1.430 6.554 8.058 1.00 0.00 N ATOM 378 CA GLY A 23 -2.424 6.670 9.108 1.00 0.00 C ATOM 379 C GLY A 23 -3.488 5.594 9.020 1.00 0.00 C ATOM 380 O GLY A 23 -4.661 5.845 9.302 1.00 0.00 O ATOM 0 H GLY A 23 -0.705 5.857 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.931 6.611 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.897 7.650 9.050 1.00 0.00 H new ATOM 384 N LEU A 24 -3.081 4.392 8.627 1.00 0.00 N ATOM 385 CA LEU A 24 -4.009 3.274 8.500 1.00 0.00 C ATOM 386 C LEU A 24 -3.745 2.223 9.574 1.00 0.00 C ATOM 387 O LEU A 24 -2.802 2.345 10.356 1.00 0.00 O ATOM 388 CB LEU A 24 -3.890 2.642 7.112 1.00 0.00 C ATOM 389 CG LEU A 24 -4.220 3.553 5.929 1.00 0.00 C ATOM 390 CD1 LEU A 24 -3.825 2.890 4.619 1.00 0.00 C ATOM 391 CD2 LEU A 24 -5.699 3.908 5.925 1.00 0.00 C ATOM 0 H LEU A 24 -2.115 4.167 8.391 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.021 3.657 8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.871 2.274 6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.549 1.775 7.072 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.647 4.474 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.067 3.553 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.754 2.688 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.370 1.953 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.915 4.557 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.292 2.997 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.952 4.425 6.851 1.00 0.00 H new ATOM 403 N GLU A 25 -4.582 1.191 9.604 1.00 0.00 N ATOM 404 CA GLU A 25 -4.438 0.119 10.581 1.00 0.00 C ATOM 405 C GLU A 25 -3.347 -0.861 10.157 1.00 0.00 C ATOM 406 O GLU A 25 -3.333 -1.338 9.022 1.00 0.00 O ATOM 407 CB GLU A 25 -5.764 -0.622 10.759 1.00 0.00 C ATOM 408 CG GLU A 25 -5.617 -1.984 11.416 1.00 0.00 C ATOM 409 CD GLU A 25 -6.952 -2.666 11.651 1.00 0.00 C ATOM 410 OE1 GLU A 25 -7.545 -2.454 12.729 1.00 0.00 O ATOM 411 OE2 GLU A 25 -7.402 -3.411 10.755 1.00 0.00 O ATOM 0 H GLU A 25 -5.367 1.075 8.963 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.151 0.566 11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.435 -0.009 11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.234 -0.747 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.994 -2.621 10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.099 -1.870 12.368 1.00 0.00 H new ATOM 418 N THR A 26 -2.434 -1.156 11.076 1.00 0.00 N ATOM 419 CA THR A 26 -1.339 -2.077 10.798 1.00 0.00 C ATOM 420 C THR A 26 -1.814 -3.524 10.838 1.00 0.00 C ATOM 421 O THR A 26 -1.213 -4.404 10.220 1.00 0.00 O ATOM 422 CB THR A 26 -0.186 -1.899 11.804 1.00 0.00 C ATOM 423 OG1 THR A 26 -0.637 -2.214 13.126 1.00 0.00 O ATOM 424 CG2 THR A 26 0.346 -0.475 11.771 1.00 0.00 C ATOM 0 H THR A 26 -2.431 -0.770 12.020 1.00 0.00 H new ATOM 0 HA THR A 26 -0.977 -1.844 9.797 1.00 0.00 H new ATOM 0 HB THR A 26 0.620 -2.578 11.523 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.102 -2.100 13.760 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.159 -0.374 12.490 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.715 -0.248 10.771 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.454 0.219 12.029 1.00 0.00 H new ATOM 432 N LYS A 27 -2.898 -3.767 11.567 1.00 0.00 N ATOM 433 CA LYS A 27 -3.457 -5.108 11.686 1.00 0.00 C ATOM 434 C LYS A 27 -3.816 -5.671 10.315 1.00 0.00 C ATOM 435 O LYS A 27 -4.235 -4.937 9.421 1.00 0.00 O ATOM 436 CB LYS A 27 -4.697 -5.089 12.582 1.00 0.00 C ATOM 437 CG LYS A 27 -4.391 -4.783 14.038 1.00 0.00 C ATOM 438 CD LYS A 27 -5.608 -4.227 14.759 1.00 0.00 C ATOM 439 CE LYS A 27 -6.501 -5.340 15.285 1.00 0.00 C ATOM 440 NZ LYS A 27 -7.602 -4.812 16.137 1.00 0.00 N ATOM 0 H LYS A 27 -3.407 -3.051 12.085 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.701 -5.751 12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.398 -4.345 12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.195 -6.057 12.520 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.054 -5.691 14.538 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.573 -4.065 14.096 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.285 -3.596 15.587 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.177 -3.593 14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.924 -5.893 14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.902 -6.045 15.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.188 -5.602 16.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.199 -4.306 16.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.189 -4.159 15.580 1.00 0.00 H new ATOM 454 N GLY A 28 -3.652 -6.981 10.156 1.00 0.00 N ATOM 455 CA GLY A 28 -3.965 -7.621 8.892 1.00 0.00 C ATOM 456 C GLY A 28 -2.732 -8.160 8.194 1.00 0.00 C ATOM 457 O GLY A 28 -1.627 -7.655 8.393 1.00 0.00 O ATOM 0 H GLY A 28 -3.308 -7.611 10.881 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.666 -8.437 9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.464 -6.905 8.239 1.00 0.00 H new ATOM 461 N ILE A 29 -2.920 -9.190 7.376 1.00 0.00 N ATOM 462 CA ILE A 29 -1.814 -9.799 6.647 1.00 0.00 C ATOM 463 C ILE A 29 -1.420 -8.954 5.440 1.00 0.00 C ATOM 464 O ILE A 29 -2.045 -7.933 5.152 1.00 0.00 O ATOM 465 CB ILE A 29 -2.168 -11.220 6.172 1.00 0.00 C ATOM 466 CG1 ILE A 29 -3.362 -11.180 5.217 1.00 0.00 C ATOM 467 CG2 ILE A 29 -2.465 -12.119 7.363 1.00 0.00 C ATOM 468 CD1 ILE A 29 -3.511 -12.433 4.382 1.00 0.00 C ATOM 0 H ILE A 29 -3.828 -9.620 7.201 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.973 -9.855 7.338 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.312 -11.631 5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.274 -11.028 5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.258 -10.321 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.714 -13.120 7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.588 -12.169 8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.306 -11.713 7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.378 -12.334 3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.615 -12.576 3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.647 -13.293 5.038 1.00 0.00 H new ATOM 480 N LYS A 30 -0.380 -9.388 4.736 1.00 0.00 N ATOM 481 CA LYS A 30 0.097 -8.675 3.557 1.00 0.00 C ATOM 482 C LYS A 30 -1.071 -8.146 2.731 1.00 0.00 C ATOM 483 O LYS A 30 -1.176 -6.944 2.487 1.00 0.00 O ATOM 484 CB LYS A 30 0.968 -9.594 2.698 1.00 0.00 C ATOM 485 CG LYS A 30 1.836 -8.849 1.698 1.00 0.00 C ATOM 486 CD LYS A 30 2.285 -9.756 0.565 1.00 0.00 C ATOM 487 CE LYS A 30 2.667 -8.957 -0.671 1.00 0.00 C ATOM 488 NZ LYS A 30 3.570 -9.726 -1.572 1.00 0.00 N ATOM 0 H LYS A 30 0.149 -10.230 4.962 1.00 0.00 H new ATOM 0 HA LYS A 30 0.694 -7.827 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.608 -10.188 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.326 -10.291 2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.280 -8.004 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.709 -8.441 2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.137 -10.353 0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.484 -10.452 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.765 -8.676 -1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.158 -8.032 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.395 -9.142 -1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.889 -10.590 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.057 -9.984 -2.439 1.00 0.00 H new ATOM 502 N GLN A 31 -1.947 -9.051 2.306 1.00 0.00 N ATOM 503 CA GLN A 31 -3.108 -8.674 1.508 1.00 0.00 C ATOM 504 C GLN A 31 -3.931 -7.604 2.217 1.00 0.00 C ATOM 505 O GLN A 31 -4.388 -6.645 1.594 1.00 0.00 O ATOM 506 CB GLN A 31 -3.978 -9.900 1.225 1.00 0.00 C ATOM 507 CG GLN A 31 -5.311 -9.563 0.575 1.00 0.00 C ATOM 508 CD GLN A 31 -6.098 -10.798 0.184 1.00 0.00 C ATOM 509 OE1 GLN A 31 -5.539 -11.885 0.040 1.00 0.00 O ATOM 510 NE2 GLN A 31 -7.405 -10.637 0.011 1.00 0.00 N ATOM 0 H GLN A 31 -1.875 -10.050 2.501 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.751 -8.265 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.429 -10.583 0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.163 -10.428 2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.905 -8.961 1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.135 -8.953 -0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.827 -9.718 0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.987 -11.433 -0.252 1.00 0.00 H new ATOM 519 N ASP A 32 -4.116 -7.774 3.521 1.00 0.00 N ATOM 520 CA ASP A 32 -4.884 -6.821 4.315 1.00 0.00 C ATOM 521 C ASP A 32 -4.238 -5.440 4.280 1.00 0.00 C ATOM 522 O ASP A 32 -4.922 -4.426 4.132 1.00 0.00 O ATOM 523 CB ASP A 32 -5.000 -7.307 5.761 1.00 0.00 C ATOM 524 CG ASP A 32 -6.041 -8.397 5.923 1.00 0.00 C ATOM 525 OD1 ASP A 32 -5.843 -9.496 5.362 1.00 0.00 O ATOM 526 OD2 ASP A 32 -7.054 -8.152 6.611 1.00 0.00 O ATOM 0 H ASP A 32 -3.745 -8.562 4.051 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.882 -6.746 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.032 -7.681 6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.256 -6.465 6.405 1.00 0.00 H new ATOM 531 N LEU A 33 -2.917 -5.406 4.419 1.00 0.00 N ATOM 532 CA LEU A 33 -2.178 -4.148 4.405 1.00 0.00 C ATOM 533 C LEU A 33 -2.305 -3.458 3.051 1.00 0.00 C ATOM 534 O LEU A 33 -2.543 -2.252 2.978 1.00 0.00 O ATOM 535 CB LEU A 33 -0.704 -4.397 4.727 1.00 0.00 C ATOM 536 CG LEU A 33 -0.369 -4.627 6.201 1.00 0.00 C ATOM 537 CD1 LEU A 33 0.973 -5.329 6.340 1.00 0.00 C ATOM 538 CD2 LEU A 33 -0.363 -3.308 6.960 1.00 0.00 C ATOM 0 H LEU A 33 -2.336 -6.235 4.543 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.605 -3.495 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.370 -5.266 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.126 -3.544 4.373 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.138 -5.268 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.195 -5.484 7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.934 -6.293 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.753 -4.714 5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.123 -3.492 8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.384 -2.643 6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.346 -2.843 6.890 1.00 0.00 H new ATOM 550 N ILE A 34 -2.147 -4.230 1.981 1.00 0.00 N ATOM 551 CA ILE A 34 -2.247 -3.693 0.630 1.00 0.00 C ATOM 552 C ILE A 34 -3.666 -3.224 0.328 1.00 0.00 C ATOM 553 O ILE A 34 -3.871 -2.136 -0.209 1.00 0.00 O ATOM 554 CB ILE A 34 -1.828 -4.737 -0.423 1.00 0.00 C ATOM 555 CG1 ILE A 34 -0.338 -5.055 -0.293 1.00 0.00 C ATOM 556 CG2 ILE A 34 -2.148 -4.234 -1.823 1.00 0.00 C ATOM 557 CD1 ILE A 34 0.060 -6.363 -0.942 1.00 0.00 C ATOM 0 H ILE A 34 -1.949 -5.230 2.024 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.567 -2.842 0.577 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.392 -5.654 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.238 -4.246 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.073 -5.087 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.846 -4.982 -2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.220 -4.053 -1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.608 -3.306 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.130 -6.524 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.489 -7.182 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.174 -6.327 -2.006 1.00 0.00 H new ATOM 569 N HIS A 35 -4.645 -4.053 0.680 1.00 0.00 N ATOM 570 CA HIS A 35 -6.046 -3.722 0.450 1.00 0.00 C ATOM 571 C HIS A 35 -6.403 -2.387 1.096 1.00 0.00 C ATOM 572 O HIS A 35 -7.144 -1.587 0.524 1.00 0.00 O ATOM 573 CB HIS A 35 -6.950 -4.826 1.000 1.00 0.00 C ATOM 574 CG HIS A 35 -7.065 -6.013 0.094 1.00 0.00 C ATOM 575 ND1 HIS A 35 -8.250 -6.687 -0.116 1.00 0.00 N ATOM 576 CD2 HIS A 35 -6.136 -6.644 -0.661 1.00 0.00 C ATOM 577 CE1 HIS A 35 -8.043 -7.683 -0.959 1.00 0.00 C ATOM 578 NE2 HIS A 35 -6.769 -7.678 -1.305 1.00 0.00 N ATOM 0 H HIS A 35 -4.493 -4.958 1.125 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.201 -3.638 -0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.564 -5.152 1.966 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.944 -4.416 1.176 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.091 -6.383 -0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.789 -8.382 -1.306 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.327 -8.336 -1.947 1.00 0.00 H new ATOM 586 N ARG A 36 -5.871 -2.153 2.291 1.00 0.00 N ATOM 587 CA ARG A 36 -6.134 -0.915 3.016 1.00 0.00 C ATOM 588 C ARG A 36 -5.457 0.269 2.334 1.00 0.00 C ATOM 589 O ARG A 36 -6.022 1.361 2.256 1.00 0.00 O ATOM 590 CB ARG A 36 -5.647 -1.032 4.462 1.00 0.00 C ATOM 591 CG ARG A 36 -6.316 -0.051 5.411 1.00 0.00 C ATOM 592 CD ARG A 36 -6.261 -0.542 6.849 1.00 0.00 C ATOM 593 NE ARG A 36 -7.271 -1.563 7.117 1.00 0.00 N ATOM 594 CZ ARG A 36 -8.552 -1.289 7.338 1.00 0.00 C ATOM 595 NH1 ARG A 36 -8.977 -0.034 7.323 1.00 0.00 N ATOM 596 NH2 ARG A 36 -9.410 -2.273 7.576 1.00 0.00 N ATOM 0 H ARG A 36 -5.255 -2.804 2.778 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.211 -0.745 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.827 -2.047 4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.569 -0.872 4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.826 0.920 5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.355 0.093 5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.271 -0.948 7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.408 0.300 7.526 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.977 -2.539 7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.320 0.725 7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.961 0.173 7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.086 -3.240 7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.393 -2.062 7.746 1.00 0.00 H new ATOM 610 N LEU A 37 -4.243 0.047 1.842 1.00 0.00 N ATOM 611 CA LEU A 37 -3.487 1.096 1.167 1.00 0.00 C ATOM 612 C LEU A 37 -4.185 1.529 -0.118 1.00 0.00 C ATOM 613 O LEU A 37 -4.290 2.721 -0.407 1.00 0.00 O ATOM 614 CB LEU A 37 -2.071 0.610 0.853 1.00 0.00 C ATOM 615 CG LEU A 37 -1.202 0.250 2.059 1.00 0.00 C ATOM 616 CD1 LEU A 37 -0.177 -0.808 1.681 1.00 0.00 C ATOM 617 CD2 LEU A 37 -0.513 1.490 2.609 1.00 0.00 C ATOM 0 H LEU A 37 -3.761 -0.850 1.898 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.430 1.956 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.144 -0.266 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.561 1.385 0.281 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.846 -0.159 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.432 -1.052 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.691 -1.705 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.463 -0.427 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.101 1.215 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.119 1.928 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.264 2.216 2.919 1.00 0.00 H new ATOM 629 N GLN A 38 -4.661 0.553 -0.884 1.00 0.00 N ATOM 630 CA GLN A 38 -5.351 0.834 -2.138 1.00 0.00 C ATOM 631 C GLN A 38 -6.706 1.484 -1.880 1.00 0.00 C ATOM 632 O GLN A 38 -7.053 2.486 -2.504 1.00 0.00 O ATOM 633 CB GLN A 38 -5.535 -0.454 -2.943 1.00 0.00 C ATOM 634 CG GLN A 38 -4.373 -0.761 -3.874 1.00 0.00 C ATOM 635 CD GLN A 38 -4.651 -1.940 -4.785 1.00 0.00 C ATOM 636 OE1 GLN A 38 -5.421 -2.837 -4.441 1.00 0.00 O ATOM 637 NE2 GLN A 38 -4.024 -1.944 -5.956 1.00 0.00 N ATOM 0 H GLN A 38 -4.582 -0.439 -0.659 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.739 1.529 -2.713 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.667 -1.288 -2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.450 -0.378 -3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.156 0.118 -4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.482 -0.967 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.394 -1.180 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.172 -2.711 -6.611 1.00 0.00 H new ATOM 646 N ALA A 39 -7.468 0.907 -0.957 1.00 0.00 N ATOM 647 CA ALA A 39 -8.784 1.431 -0.615 1.00 0.00 C ATOM 648 C ALA A 39 -8.693 2.877 -0.139 1.00 0.00 C ATOM 649 O ALA A 39 -9.532 3.709 -0.485 1.00 0.00 O ATOM 650 CB ALA A 39 -9.438 0.563 0.450 1.00 0.00 C ATOM 0 H ALA A 39 -7.196 0.076 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.400 1.410 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.420 0.967 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.547 -0.454 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.816 0.554 1.345 1.00 0.00 H new ATOM 656 N TYR A 40 -7.670 3.169 0.657 1.00 0.00 N ATOM 657 CA TYR A 40 -7.470 4.514 1.183 1.00 0.00 C ATOM 658 C TYR A 40 -7.054 5.476 0.075 1.00 0.00 C ATOM 659 O TYR A 40 -7.510 6.620 0.026 1.00 0.00 O ATOM 660 CB TYR A 40 -6.412 4.500 2.287 1.00 0.00 C ATOM 661 CG TYR A 40 -5.923 5.878 2.674 1.00 0.00 C ATOM 662 CD1 TYR A 40 -6.742 6.755 3.375 1.00 0.00 C ATOM 663 CD2 TYR A 40 -4.644 6.303 2.339 1.00 0.00 C ATOM 664 CE1 TYR A 40 -6.301 8.015 3.730 1.00 0.00 C ATOM 665 CE2 TYR A 40 -4.193 7.560 2.692 1.00 0.00 C ATOM 666 CZ TYR A 40 -5.025 8.413 3.387 1.00 0.00 C ATOM 667 OH TYR A 40 -4.581 9.666 3.739 1.00 0.00 O ATOM 0 H TYR A 40 -6.966 2.492 0.952 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.416 4.858 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.825 4.009 3.168 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.563 3.901 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.741 6.446 3.647 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.990 5.639 1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.951 8.685 4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.194 7.873 2.425 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.661 9.788 3.423 1.00 0.00 H new ATOM 677 N LEU A 41 -6.185 5.005 -0.813 1.00 0.00 N ATOM 678 CA LEU A 41 -5.706 5.823 -1.922 1.00 0.00 C ATOM 679 C LEU A 41 -6.859 6.241 -2.828 1.00 0.00 C ATOM 680 O LEU A 41 -6.968 7.405 -3.213 1.00 0.00 O ATOM 681 CB LEU A 41 -4.659 5.055 -2.731 1.00 0.00 C ATOM 682 CG LEU A 41 -3.267 4.957 -2.106 1.00 0.00 C ATOM 683 CD1 LEU A 41 -2.473 3.828 -2.745 1.00 0.00 C ATOM 684 CD2 LEU A 41 -2.525 6.278 -2.246 1.00 0.00 C ATOM 0 H LEU A 41 -5.798 4.062 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.250 6.722 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.031 4.045 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.564 5.529 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.381 4.738 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.485 3.774 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.996 2.884 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.368 4.016 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.536 6.190 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.422 6.527 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.085 7.065 -1.741 1.00 0.00 H new ATOM 696 N GLU A 42 -7.719 5.284 -3.163 1.00 0.00 N ATOM 697 CA GLU A 42 -8.865 5.555 -4.023 1.00 0.00 C ATOM 698 C GLU A 42 -9.854 6.490 -3.333 1.00 0.00 C ATOM 699 O GLU A 42 -10.462 7.348 -3.973 1.00 0.00 O ATOM 700 CB GLU A 42 -9.564 4.248 -4.405 1.00 0.00 C ATOM 701 CG GLU A 42 -10.172 3.515 -3.221 1.00 0.00 C ATOM 702 CD GLU A 42 -11.175 2.458 -3.643 1.00 0.00 C ATOM 703 OE1 GLU A 42 -10.759 1.303 -3.869 1.00 0.00 O ATOM 704 OE2 GLU A 42 -12.376 2.787 -3.747 1.00 0.00 O ATOM 0 H GLU A 42 -7.644 4.315 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.501 6.042 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.349 4.464 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.846 3.592 -4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.377 3.046 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.662 4.235 -2.565 1.00 0.00 H new ATOM 711 N GLU A 43 -10.009 6.317 -2.024 1.00 0.00 N ATOM 712 CA GLU A 43 -10.925 7.145 -1.248 1.00 0.00 C ATOM 713 C GLU A 43 -10.463 8.600 -1.232 1.00 0.00 C ATOM 714 O GLU A 43 -11.272 9.520 -1.355 1.00 0.00 O ATOM 715 CB GLU A 43 -11.034 6.618 0.185 1.00 0.00 C ATOM 716 CG GLU A 43 -11.802 7.541 1.116 1.00 0.00 C ATOM 717 CD GLU A 43 -13.288 7.239 1.140 1.00 0.00 C ATOM 718 OE1 GLU A 43 -13.664 6.143 1.604 1.00 0.00 O ATOM 719 OE2 GLU A 43 -14.075 8.101 0.695 1.00 0.00 O ATOM 0 H GLU A 43 -9.513 5.612 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.906 7.098 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.522 5.644 0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.031 6.465 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.400 7.450 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.650 8.574 0.804 1.00 0.00 H new ATOM 726 N HIS A 44 -9.158 8.799 -1.080 1.00 0.00 N ATOM 727 CA HIS A 44 -8.588 10.141 -1.049 1.00 0.00 C ATOM 728 C HIS A 44 -7.909 10.474 -2.374 1.00 0.00 C ATOM 729 O HIS A 44 -6.827 11.060 -2.398 1.00 0.00 O ATOM 730 CB HIS A 44 -7.583 10.264 0.097 1.00 0.00 C ATOM 731 CG HIS A 44 -8.215 10.218 1.455 1.00 0.00 C ATOM 732 ND1 HIS A 44 -8.034 11.203 2.403 1.00 0.00 N ATOM 733 CD2 HIS A 44 -9.031 9.298 2.021 1.00 0.00 C ATOM 734 CE1 HIS A 44 -8.710 10.890 3.494 1.00 0.00 C ATOM 735 NE2 HIS A 44 -9.324 9.739 3.288 1.00 0.00 N ATOM 0 H HIS A 44 -8.475 8.048 -0.976 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.400 10.850 -0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.853 9.458 0.017 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -7.036 11.201 -0.009 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.385 8.387 1.562 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.753 11.476 4.400 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.919 9.256 3.961 1.00 0.00 H new ATOM 743 N ALA A 45 -8.552 10.096 -3.474 1.00 0.00 N ATOM 744 CA ALA A 45 -8.010 10.356 -4.802 1.00 0.00 C ATOM 745 C ALA A 45 -7.607 11.819 -4.954 1.00 0.00 C ATOM 746 O ALA A 45 -8.183 12.699 -4.316 1.00 0.00 O ATOM 747 CB ALA A 45 -9.024 9.972 -5.870 1.00 0.00 C ATOM 0 H ALA A 45 -9.448 9.609 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.116 9.745 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.606 10.171 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.260 8.911 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.933 10.558 -5.736 1.00 0.00 H new ATOM 753 N GLU A 46 -6.615 12.069 -5.803 1.00 0.00 N ATOM 754 CA GLU A 46 -6.135 13.426 -6.037 1.00 0.00 C ATOM 755 C GLU A 46 -7.052 14.169 -7.005 1.00 0.00 C ATOM 756 O GLU A 46 -7.944 13.575 -7.610 1.00 0.00 O ATOM 757 CB GLU A 46 -4.708 13.398 -6.588 1.00 0.00 C ATOM 758 CG GLU A 46 -4.579 12.652 -7.905 1.00 0.00 C ATOM 759 CD GLU A 46 -3.154 12.221 -8.194 1.00 0.00 C ATOM 760 OE1 GLU A 46 -2.233 13.037 -7.985 1.00 0.00 O ATOM 761 OE2 GLU A 46 -2.961 11.066 -8.628 1.00 0.00 O ATOM 0 H GLU A 46 -6.129 11.351 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.138 13.954 -5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.360 14.422 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.052 12.934 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.224 11.773 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.933 13.289 -8.715 1.00 0.00 H new ATOM 768 N SER A 47 -6.824 15.471 -7.145 1.00 0.00 N ATOM 769 CA SER A 47 -7.632 16.296 -8.036 1.00 0.00 C ATOM 770 C SER A 47 -6.945 16.470 -9.387 1.00 0.00 C ATOM 771 O SER A 47 -6.137 17.379 -9.573 1.00 0.00 O ATOM 772 CB SER A 47 -7.891 17.664 -7.403 1.00 0.00 C ATOM 773 OG SER A 47 -6.676 18.296 -7.039 1.00 0.00 O ATOM 0 H SER A 47 -6.087 15.977 -6.653 1.00 0.00 H new ATOM 0 HA SER A 47 -8.585 15.791 -8.195 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.437 18.295 -8.104 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.522 17.547 -6.522 1.00 0.00 H new ATOM 0 HG SER A 47 -6.033 18.216 -7.774 1.00 0.00 H new ATOM 779 N GLY A 48 -7.272 15.590 -10.328 1.00 0.00 N ATOM 780 CA GLY A 48 -6.678 15.662 -11.650 1.00 0.00 C ATOM 781 C GLY A 48 -5.343 14.947 -11.726 1.00 0.00 C ATOM 782 O GLY A 48 -4.791 14.508 -10.717 1.00 0.00 O ATOM 0 H GLY A 48 -7.938 14.828 -10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.363 15.225 -12.377 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.543 16.707 -11.928 1.00 0.00 H new ATOM 786 N PRO A 49 -4.805 14.819 -12.948 1.00 0.00 N ATOM 787 CA PRO A 49 -3.521 14.151 -13.181 1.00 0.00 C ATOM 788 C PRO A 49 -2.343 14.954 -12.638 1.00 0.00 C ATOM 789 O PRO A 49 -2.422 16.174 -12.499 1.00 0.00 O ATOM 790 CB PRO A 49 -3.444 14.054 -14.707 1.00 0.00 C ATOM 791 CG PRO A 49 -4.299 15.169 -15.201 1.00 0.00 C ATOM 792 CD PRO A 49 -5.407 15.318 -14.196 1.00 0.00 C ATOM 0 HA PRO A 49 -3.465 13.187 -12.675 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.417 14.156 -15.059 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.808 13.089 -15.061 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.725 16.091 -15.289 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.697 14.946 -16.191 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.727 16.356 -14.101 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.286 14.738 -14.478 1.00 0.00 H new ATOM 800 N SER A 50 -1.251 14.260 -12.334 1.00 0.00 N ATOM 801 CA SER A 50 -0.057 14.908 -11.803 1.00 0.00 C ATOM 802 C SER A 50 1.175 14.033 -12.014 1.00 0.00 C ATOM 803 O SER A 50 1.282 12.945 -11.448 1.00 0.00 O ATOM 804 CB SER A 50 -0.234 15.209 -10.314 1.00 0.00 C ATOM 805 OG SER A 50 -1.205 16.221 -10.110 1.00 0.00 O ATOM 0 H SER A 50 -1.168 13.250 -12.446 1.00 0.00 H new ATOM 0 HA SER A 50 0.088 15.845 -12.341 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.534 14.302 -9.790 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.719 15.523 -9.888 1.00 0.00 H new ATOM 0 HG SER A 50 -1.510 16.561 -10.977 1.00 0.00 H new ATOM 811 N SER A 51 2.104 14.517 -12.832 1.00 0.00 N ATOM 812 CA SER A 51 3.328 13.779 -13.122 1.00 0.00 C ATOM 813 C SER A 51 4.530 14.437 -12.452 1.00 0.00 C ATOM 814 O SER A 51 5.057 15.436 -12.939 1.00 0.00 O ATOM 815 CB SER A 51 3.553 13.697 -14.633 1.00 0.00 C ATOM 816 OG SER A 51 3.519 14.984 -15.224 1.00 0.00 O ATOM 0 H SER A 51 2.032 15.417 -13.306 1.00 0.00 H new ATOM 0 HA SER A 51 3.219 12.771 -12.723 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.515 13.226 -14.836 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.787 13.066 -15.084 1.00 0.00 H new ATOM 0 HG SER A 51 4.012 15.616 -14.660 1.00 0.00 H new ATOM 822 N GLY A 52 4.959 13.868 -11.329 1.00 0.00 N ATOM 823 CA GLY A 52 6.096 14.411 -10.609 1.00 0.00 C ATOM 824 C GLY A 52 5.690 15.452 -9.585 1.00 0.00 C ATOM 825 O GLY A 52 6.542 16.093 -8.970 1.00 0.00 O ATOM 0 H GLY A 52 4.539 13.041 -10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.626 13.601 -10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.793 14.857 -11.319 1.00 0.00 H new TER 829 GLY A 52