USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 603 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.146 (180deg=-0.234) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 146:sc= -2.54 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 24 SER OG : rot 180:sc= -0.431 USER MOD Single : A 28 ASN : amide:sc= -0.977 K(o=-0.98,f=-6.5!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -0.0641 (180deg=-0.549) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.11) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -142:sc= -2.16! (180deg=-2.47!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -106:sc= -2.66 (180deg=-4.38!) USER MOD Single : A 66 THR OG1 : rot 74:sc= 0.923 USER MOD Single : A 69 SER OG : rot -88:sc= 0.682 USER MOD Single : A 70 MET CE :methyl -166:sc= -10.5! (180deg=-10.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.108 26.360 -4.622 1.00 0.00 N ATOM 2 CA MET A 1 -12.659 26.515 -4.938 1.00 0.00 C ATOM 3 C MET A 1 -11.937 25.187 -4.702 1.00 0.00 C ATOM 4 O MET A 1 -10.826 24.986 -5.149 1.00 0.00 O ATOM 5 CB MET A 1 -12.053 27.592 -4.035 1.00 0.00 C ATOM 6 CG MET A 1 -11.229 28.562 -4.884 1.00 0.00 C ATOM 7 SD MET A 1 -12.057 30.170 -4.938 1.00 0.00 S ATOM 8 CE MET A 1 -10.941 31.040 -3.810 1.00 0.00 C ATOM 0 H1 MET A 1 -14.614 27.231 -4.879 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.498 25.561 -5.162 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.224 26.179 -3.604 1.00 0.00 H new ATOM 0 HA MET A 1 -12.546 26.808 -5.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.843 28.130 -3.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.423 27.132 -3.274 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.229 28.670 -4.464 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.110 28.168 -5.893 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.271 32.072 -3.696 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.949 30.547 -2.838 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.929 31.026 -4.216 1.00 0.00 H new ATOM 20 N THR A 2 -12.560 24.276 -4.004 1.00 0.00 N ATOM 21 CA THR A 2 -11.907 22.962 -3.743 1.00 0.00 C ATOM 22 C THR A 2 -12.589 21.879 -4.585 1.00 0.00 C ATOM 23 O THR A 2 -13.797 21.838 -4.701 1.00 0.00 O ATOM 24 CB THR A 2 -12.035 22.611 -2.259 1.00 0.00 C ATOM 25 OG1 THR A 2 -11.543 23.688 -1.474 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.225 21.349 -1.960 1.00 0.00 C ATOM 0 H THR A 2 -13.492 24.385 -3.604 1.00 0.00 H new ATOM 0 HA THR A 2 -10.852 23.022 -4.010 1.00 0.00 H new ATOM 0 HB THR A 2 -13.083 22.434 -2.017 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.626 23.465 -0.523 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.317 21.100 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.603 20.523 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.177 21.524 -2.202 1.00 0.00 H new ATOM 34 N PHE A 3 -11.823 21.003 -5.174 1.00 0.00 N ATOM 35 CA PHE A 3 -12.429 19.926 -6.006 1.00 0.00 C ATOM 36 C PHE A 3 -11.641 18.630 -5.813 1.00 0.00 C ATOM 37 O PHE A 3 -11.286 17.958 -6.763 1.00 0.00 O ATOM 38 CB PHE A 3 -12.385 20.335 -7.481 1.00 0.00 C ATOM 39 CG PHE A 3 -13.562 19.730 -8.205 1.00 0.00 C ATOM 40 CD1 PHE A 3 -14.849 20.242 -8.002 1.00 0.00 C ATOM 41 CD2 PHE A 3 -13.367 18.654 -9.080 1.00 0.00 C ATOM 42 CE1 PHE A 3 -15.941 19.680 -8.674 1.00 0.00 C ATOM 43 CE2 PHE A 3 -14.459 18.092 -9.752 1.00 0.00 C ATOM 44 CZ PHE A 3 -15.746 18.603 -9.548 1.00 0.00 C ATOM 0 H PHE A 3 -10.805 20.986 -5.115 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.464 19.771 -5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.409 21.421 -7.569 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.453 19.999 -7.935 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -15.000 21.071 -7.327 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -12.374 18.258 -9.236 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -16.933 20.077 -8.519 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.308 17.264 -10.428 1.00 0.00 H new ATOM 0 HZ PHE A 3 -16.588 18.167 -10.064 1.00 0.00 H new ATOM 54 N ILE A 4 -11.362 18.270 -4.590 1.00 0.00 N ATOM 55 CA ILE A 4 -10.595 17.018 -4.339 1.00 0.00 C ATOM 56 C ILE A 4 -11.221 16.264 -3.163 1.00 0.00 C ATOM 57 O ILE A 4 -11.644 16.854 -2.190 1.00 0.00 O ATOM 58 CB ILE A 4 -9.143 17.367 -4.009 1.00 0.00 C ATOM 59 CG1 ILE A 4 -8.596 18.322 -5.072 1.00 0.00 C ATOM 60 CG2 ILE A 4 -8.302 16.090 -3.991 1.00 0.00 C ATOM 61 CD1 ILE A 4 -7.115 18.595 -4.799 1.00 0.00 C ATOM 0 H ILE A 4 -11.632 18.789 -3.754 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.623 16.389 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.097 17.845 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.720 17.888 -6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.157 19.256 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.267 16.339 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.692 15.408 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.347 15.611 -4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.725 19.275 -5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.004 19.047 -3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.560 17.658 -4.833 1.00 0.00 H new ATOM 73 N THR A 5 -11.283 14.962 -3.246 1.00 0.00 N ATOM 74 CA THR A 5 -11.881 14.174 -2.133 1.00 0.00 C ATOM 75 C THR A 5 -10.766 13.522 -1.315 1.00 0.00 C ATOM 76 O THR A 5 -9.713 13.201 -1.829 1.00 0.00 O ATOM 77 CB THR A 5 -12.790 13.085 -2.709 1.00 0.00 C ATOM 78 OG1 THR A 5 -13.507 12.462 -1.652 1.00 0.00 O ATOM 79 CG2 THR A 5 -11.942 12.040 -3.437 1.00 0.00 C ATOM 0 H THR A 5 -10.946 14.412 -4.036 1.00 0.00 H new ATOM 0 HA THR A 5 -12.465 14.836 -1.493 1.00 0.00 H new ATOM 0 HB THR A 5 -13.492 13.533 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.091 11.766 -2.019 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.591 11.266 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.392 12.518 -4.247 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.238 11.591 -2.737 1.00 0.00 H new ATOM 87 N LYS A 6 -10.989 13.318 -0.045 1.00 0.00 N ATOM 88 CA LYS A 6 -9.939 12.682 0.796 1.00 0.00 C ATOM 89 C LYS A 6 -9.476 11.389 0.125 1.00 0.00 C ATOM 90 O LYS A 6 -10.134 10.865 -0.751 1.00 0.00 O ATOM 91 CB LYS A 6 -10.510 12.367 2.181 1.00 0.00 C ATOM 92 CG LYS A 6 -11.515 11.218 2.074 1.00 0.00 C ATOM 93 CD LYS A 6 -11.912 10.755 3.478 1.00 0.00 C ATOM 94 CE LYS A 6 -13.436 10.769 3.610 1.00 0.00 C ATOM 95 NZ LYS A 6 -13.815 11.405 4.904 1.00 0.00 N ATOM 0 H LYS A 6 -11.850 13.564 0.444 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.094 13.362 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.705 12.097 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.996 13.251 2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.398 11.543 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.078 10.390 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.530 9.751 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.466 11.409 4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.879 11.318 2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.825 9.752 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.851 11.415 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.403 10.863 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.455 12.381 4.930 1.00 0.00 H new ATOM 109 N THR A 7 -8.348 10.871 0.524 1.00 0.00 N ATOM 110 CA THR A 7 -7.847 9.615 -0.099 1.00 0.00 C ATOM 111 C THR A 7 -8.235 8.419 0.774 1.00 0.00 C ATOM 112 O THR A 7 -8.472 8.565 1.955 1.00 0.00 O ATOM 113 CB THR A 7 -6.322 9.678 -0.220 1.00 0.00 C ATOM 114 OG1 THR A 7 -5.828 10.732 0.592 1.00 0.00 O ATOM 115 CG2 THR A 7 -5.931 9.925 -1.678 1.00 0.00 C ATOM 0 H THR A 7 -7.752 11.263 1.254 1.00 0.00 H new ATOM 0 HA THR A 7 -8.289 9.502 -1.089 1.00 0.00 H new ATOM 0 HB THR A 7 -5.892 8.733 0.111 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.952 10.483 0.955 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.845 9.969 -1.761 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.309 9.113 -2.299 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.359 10.869 -2.015 1.00 0.00 H new ATOM 123 N PRO A 8 -8.278 7.264 0.158 1.00 0.00 N ATOM 124 CA PRO A 8 -8.624 6.010 0.848 1.00 0.00 C ATOM 125 C PRO A 8 -7.414 5.505 1.641 1.00 0.00 C ATOM 126 O PRO A 8 -6.352 6.091 1.578 1.00 0.00 O ATOM 127 CB PRO A 8 -8.965 5.056 -0.302 1.00 0.00 C ATOM 128 CG PRO A 8 -8.266 5.618 -1.561 1.00 0.00 C ATOM 129 CD PRO A 8 -7.985 7.104 -1.281 1.00 0.00 C ATOM 0 HA PRO A 8 -9.441 6.112 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.618 4.046 -0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.043 4.997 -0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.340 5.080 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.900 5.502 -2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.951 7.363 -1.508 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.617 7.750 -1.890 1.00 0.00 H new ATOM 137 N PRO A 9 -7.605 4.433 2.364 1.00 0.00 N ATOM 138 CA PRO A 9 -6.532 3.834 3.174 1.00 0.00 C ATOM 139 C PRO A 9 -5.567 3.059 2.272 1.00 0.00 C ATOM 140 O PRO A 9 -5.964 2.459 1.294 1.00 0.00 O ATOM 141 CB PRO A 9 -7.281 2.901 4.131 1.00 0.00 C ATOM 142 CG PRO A 9 -8.642 2.593 3.463 1.00 0.00 C ATOM 143 CD PRO A 9 -8.897 3.717 2.440 1.00 0.00 C ATOM 0 HA PRO A 9 -5.924 4.566 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.716 1.985 4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.423 3.374 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.621 1.620 2.972 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.439 2.558 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.188 3.315 1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.701 4.378 2.765 1.00 0.00 H new ATOM 151 N ALA A 10 -4.300 3.076 2.586 1.00 0.00 N ATOM 152 CA ALA A 10 -3.311 2.352 1.736 1.00 0.00 C ATOM 153 C ALA A 10 -3.510 0.840 1.874 1.00 0.00 C ATOM 154 O ALA A 10 -2.868 0.058 1.202 1.00 0.00 O ATOM 155 CB ALA A 10 -1.893 2.724 2.173 1.00 0.00 C ATOM 0 H ALA A 10 -3.907 3.559 3.394 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.459 2.637 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.170 2.195 1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.748 3.799 2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.749 2.444 3.216 1.00 0.00 H new ATOM 161 N ALA A 11 -4.395 0.418 2.735 1.00 0.00 N ATOM 162 CA ALA A 11 -4.630 -1.043 2.902 1.00 0.00 C ATOM 163 C ALA A 11 -5.689 -1.502 1.899 1.00 0.00 C ATOM 164 O ALA A 11 -5.965 -2.679 1.766 1.00 0.00 O ATOM 165 CB ALA A 11 -5.116 -1.325 4.326 1.00 0.00 C ATOM 0 H ALA A 11 -4.964 1.021 3.329 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.701 -1.585 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.288 -2.395 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.361 -0.996 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.046 -0.786 4.507 1.00 0.00 H new ATOM 171 N VAL A 12 -6.288 -0.583 1.191 1.00 0.00 N ATOM 172 CA VAL A 12 -7.331 -0.964 0.199 1.00 0.00 C ATOM 173 C VAL A 12 -6.736 -0.933 -1.213 1.00 0.00 C ATOM 174 O VAL A 12 -7.078 -1.735 -2.060 1.00 0.00 O ATOM 175 CB VAL A 12 -8.501 0.023 0.291 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.136 1.335 -0.409 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.733 -0.584 -0.381 1.00 0.00 C ATOM 0 H VAL A 12 -6.099 0.417 1.258 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.688 -1.972 0.413 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.716 0.225 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.973 2.030 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.260 1.772 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.915 1.138 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.565 0.117 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.512 -0.789 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.001 -1.513 0.122 1.00 0.00 H new ATOM 187 N LEU A 13 -5.849 -0.010 -1.473 1.00 0.00 N ATOM 188 CA LEU A 13 -5.234 0.073 -2.828 1.00 0.00 C ATOM 189 C LEU A 13 -4.023 -0.858 -2.896 1.00 0.00 C ATOM 190 O LEU A 13 -3.782 -1.510 -3.894 1.00 0.00 O ATOM 191 CB LEU A 13 -4.786 1.513 -3.096 1.00 0.00 C ATOM 192 CG LEU A 13 -5.996 2.359 -3.493 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.664 3.842 -3.309 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.342 2.094 -4.960 1.00 0.00 C ATOM 0 H LEU A 13 -5.524 0.690 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.965 -0.227 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.314 1.930 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.040 1.531 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.846 2.096 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.526 4.446 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.415 4.032 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.814 4.105 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.205 2.696 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.491 2.359 -5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.577 1.038 -5.093 1.00 0.00 H new ATOM 206 N LEU A 14 -3.259 -0.927 -1.843 1.00 0.00 N ATOM 207 CA LEU A 14 -2.066 -1.817 -1.845 1.00 0.00 C ATOM 208 C LEU A 14 -2.513 -3.260 -2.098 1.00 0.00 C ATOM 209 O LEU A 14 -1.995 -3.937 -2.963 1.00 0.00 O ATOM 210 CB LEU A 14 -1.356 -1.713 -0.495 1.00 0.00 C ATOM 211 CG LEU A 14 -0.765 -0.309 -0.345 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.055 -0.184 1.004 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.241 -0.061 -1.468 1.00 0.00 C ATOM 0 H LEU A 14 -3.409 -0.405 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.377 -1.514 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.057 -1.914 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.567 -2.462 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.569 0.426 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.363 0.818 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.769 -0.361 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.747 -0.919 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.664 0.938 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.040 -0.801 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.262 -0.144 -2.432 1.00 0.00 H new ATOM 225 N LYS A 15 -3.479 -3.734 -1.358 1.00 0.00 N ATOM 226 CA LYS A 15 -3.964 -5.129 -1.573 1.00 0.00 C ATOM 227 C LYS A 15 -4.551 -5.254 -2.980 1.00 0.00 C ATOM 228 O LYS A 15 -4.639 -6.332 -3.534 1.00 0.00 O ATOM 229 CB LYS A 15 -5.047 -5.464 -0.542 1.00 0.00 C ATOM 230 CG LYS A 15 -4.445 -6.312 0.578 1.00 0.00 C ATOM 231 CD LYS A 15 -5.475 -7.344 1.041 1.00 0.00 C ATOM 232 CE LYS A 15 -5.997 -6.961 2.425 1.00 0.00 C ATOM 233 NZ LYS A 15 -6.320 -8.198 3.193 1.00 0.00 N ATOM 0 H LYS A 15 -3.952 -3.218 -0.616 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.129 -5.821 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.468 -4.546 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.864 -6.003 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.544 -6.814 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.150 -5.676 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.300 -7.393 0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.023 -8.335 1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.249 -6.374 2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.885 -6.336 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.675 -7.939 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.048 -8.741 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.463 -8.778 3.294 1.00 0.00 H new ATOM 247 N LYS A 16 -4.956 -4.158 -3.562 1.00 0.00 N ATOM 248 CA LYS A 16 -5.542 -4.211 -4.931 1.00 0.00 C ATOM 249 C LYS A 16 -4.467 -4.641 -5.933 1.00 0.00 C ATOM 250 O LYS A 16 -4.737 -5.357 -6.876 1.00 0.00 O ATOM 251 CB LYS A 16 -6.070 -2.827 -5.314 1.00 0.00 C ATOM 252 CG LYS A 16 -6.644 -2.872 -6.732 1.00 0.00 C ATOM 253 CD LYS A 16 -7.529 -1.646 -6.962 1.00 0.00 C ATOM 254 CE LYS A 16 -6.908 -0.763 -8.044 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.982 -0.011 -8.753 1.00 0.00 N ATOM 0 H LYS A 16 -4.906 -3.227 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.361 -4.930 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.839 -2.512 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.267 -2.092 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.836 -2.893 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.224 -3.784 -6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.529 -1.958 -7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.636 -1.083 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.198 -0.068 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.351 -1.376 -8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.558 0.589 -9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.644 -0.682 -9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.495 0.586 -8.073 1.00 0.00 H new ATOM 269 N ALA A 17 -3.251 -4.209 -5.735 1.00 0.00 N ATOM 270 CA ALA A 17 -2.164 -4.594 -6.678 1.00 0.00 C ATOM 271 C ALA A 17 -1.959 -6.110 -6.637 1.00 0.00 C ATOM 272 O ALA A 17 -2.317 -6.820 -7.555 1.00 0.00 O ATOM 273 CB ALA A 17 -0.866 -3.891 -6.271 1.00 0.00 C ATOM 0 H ALA A 17 -2.964 -3.608 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.439 -4.296 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.069 -4.171 -6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.011 -2.811 -6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.593 -4.189 -5.259 1.00 0.00 H new ATOM 279 N ALA A 18 -1.384 -6.611 -5.579 1.00 0.00 N ATOM 280 CA ALA A 18 -1.153 -8.080 -5.478 1.00 0.00 C ATOM 281 C ALA A 18 -2.428 -8.831 -5.869 1.00 0.00 C ATOM 282 O ALA A 18 -2.383 -9.970 -6.290 1.00 0.00 O ATOM 283 CB ALA A 18 -0.774 -8.438 -4.041 1.00 0.00 C ATOM 0 H ALA A 18 -1.064 -6.066 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.345 -8.365 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.605 -9.512 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.136 -7.907 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.583 -8.150 -3.369 1.00 0.00 H new ATOM 289 N GLY A 19 -3.565 -8.207 -5.730 1.00 0.00 N ATOM 290 CA GLY A 19 -4.839 -8.894 -6.090 1.00 0.00 C ATOM 291 C GLY A 19 -4.997 -10.149 -5.229 1.00 0.00 C ATOM 292 O GLY A 19 -4.864 -11.260 -5.703 1.00 0.00 O ATOM 0 H GLY A 19 -3.668 -7.253 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.684 -8.223 -5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.835 -9.162 -7.147 1.00 0.00 H new ATOM 296 N ILE A 20 -5.277 -9.980 -3.965 1.00 0.00 N ATOM 297 CA ILE A 20 -5.438 -11.162 -3.072 1.00 0.00 C ATOM 298 C ILE A 20 -6.924 -11.457 -2.871 1.00 0.00 C ATOM 299 O ILE A 20 -7.348 -12.596 -2.872 1.00 0.00 O ATOM 300 CB ILE A 20 -4.793 -10.866 -1.717 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.301 -10.587 -1.913 1.00 0.00 C ATOM 302 CG2 ILE A 20 -4.967 -12.073 -0.793 1.00 0.00 C ATOM 303 CD1 ILE A 20 -3.048 -9.082 -1.811 1.00 0.00 C ATOM 0 H ILE A 20 -5.401 -9.074 -3.513 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.956 -12.027 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.272 -9.994 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.719 -11.117 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.975 -10.957 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.507 -11.861 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.029 -12.274 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.489 -12.945 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.986 -8.881 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.619 -8.564 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.359 -8.727 -0.828 1.00 0.00 H new ATOM 315 N GLU A 21 -7.718 -10.439 -2.696 1.00 0.00 N ATOM 316 CA GLU A 21 -9.177 -10.659 -2.492 1.00 0.00 C ATOM 317 C GLU A 21 -9.380 -11.697 -1.387 1.00 0.00 C ATOM 318 O GLU A 21 -8.490 -11.962 -0.602 1.00 0.00 O ATOM 319 CB GLU A 21 -9.805 -11.160 -3.794 1.00 0.00 C ATOM 320 CG GLU A 21 -9.678 -10.079 -4.869 1.00 0.00 C ATOM 321 CD GLU A 21 -10.941 -10.065 -5.734 1.00 0.00 C ATOM 322 OE1 GLU A 21 -11.528 -11.120 -5.905 1.00 0.00 O ATOM 323 OE2 GLU A 21 -11.297 -8.999 -6.210 1.00 0.00 O ATOM 0 H GLU A 21 -7.420 -9.463 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.653 -9.722 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.309 -12.074 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.854 -11.407 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.533 -9.104 -4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.802 -10.270 -5.489 1.00 0.00 H new ATOM 330 N SER A 22 -10.543 -12.287 -1.313 1.00 0.00 N ATOM 331 CA SER A 22 -10.797 -13.304 -0.253 1.00 0.00 C ATOM 332 C SER A 22 -10.289 -14.672 -0.719 1.00 0.00 C ATOM 333 O SER A 22 -11.054 -15.598 -0.904 1.00 0.00 O ATOM 334 CB SER A 22 -12.298 -13.388 0.022 1.00 0.00 C ATOM 335 OG SER A 22 -13.004 -13.359 -1.211 1.00 0.00 O ATOM 0 H SER A 22 -11.327 -12.109 -1.940 1.00 0.00 H new ATOM 0 HA SER A 22 -10.273 -13.014 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.529 -14.304 0.565 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.611 -12.556 0.653 1.00 0.00 H new ATOM 0 HG SER A 22 -13.967 -13.414 -1.038 1.00 0.00 H new ATOM 341 N GLY A 23 -9.006 -14.809 -0.905 1.00 0.00 N ATOM 342 CA GLY A 23 -8.455 -16.119 -1.352 1.00 0.00 C ATOM 343 C GLY A 23 -8.182 -16.995 -0.129 1.00 0.00 C ATOM 344 O GLY A 23 -8.624 -18.123 -0.047 1.00 0.00 O ATOM 0 H GLY A 23 -8.315 -14.071 -0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.160 -16.615 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.535 -15.966 -1.917 1.00 0.00 H new ATOM 348 N SER A 24 -7.457 -16.479 0.826 1.00 0.00 N ATOM 349 CA SER A 24 -7.156 -17.276 2.047 1.00 0.00 C ATOM 350 C SER A 24 -6.465 -16.382 3.078 1.00 0.00 C ATOM 351 O SER A 24 -7.015 -16.080 4.118 1.00 0.00 O ATOM 352 CB SER A 24 -6.234 -18.438 1.683 1.00 0.00 C ATOM 353 OG SER A 24 -5.753 -18.259 0.357 1.00 0.00 O ATOM 0 H SER A 24 -7.060 -15.539 0.812 1.00 0.00 H new ATOM 0 HA SER A 24 -8.084 -17.666 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.399 -18.487 2.382 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.772 -19.383 1.763 1.00 0.00 H new ATOM 0 HG SER A 24 -5.160 -19.002 0.121 1.00 0.00 H new ATOM 359 N GLY A 25 -5.264 -15.957 2.799 1.00 0.00 N ATOM 360 CA GLY A 25 -4.542 -15.083 3.766 1.00 0.00 C ATOM 361 C GLY A 25 -3.581 -15.932 4.599 1.00 0.00 C ATOM 362 O GLY A 25 -3.706 -16.029 5.803 1.00 0.00 O ATOM 0 H GLY A 25 -4.752 -16.177 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.991 -14.309 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.254 -14.576 4.417 1.00 0.00 H new ATOM 366 N GLU A 26 -2.622 -16.550 3.965 1.00 0.00 N ATOM 367 CA GLU A 26 -1.653 -17.396 4.719 1.00 0.00 C ATOM 368 C GLU A 26 -0.241 -16.834 4.541 1.00 0.00 C ATOM 369 O GLU A 26 0.523 -17.328 3.734 1.00 0.00 O ATOM 370 CB GLU A 26 -1.702 -18.828 4.185 1.00 0.00 C ATOM 371 CG GLU A 26 -3.158 -19.258 3.999 1.00 0.00 C ATOM 372 CD GLU A 26 -3.234 -20.785 3.936 1.00 0.00 C ATOM 373 OE1 GLU A 26 -2.562 -21.425 4.727 1.00 0.00 O ATOM 374 OE2 GLU A 26 -3.963 -21.288 3.097 1.00 0.00 O ATOM 0 H GLU A 26 -2.467 -16.506 2.958 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.915 -17.394 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.170 -18.891 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.199 -19.502 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.766 -18.887 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.562 -18.825 3.084 1.00 0.00 H new ATOM 381 N PRO A 27 0.062 -15.812 5.300 1.00 0.00 N ATOM 382 CA PRO A 27 1.378 -15.150 5.256 1.00 0.00 C ATOM 383 C PRO A 27 2.417 -15.974 6.024 1.00 0.00 C ATOM 384 O PRO A 27 2.874 -15.585 7.081 1.00 0.00 O ATOM 385 CB PRO A 27 1.127 -13.807 5.947 1.00 0.00 C ATOM 386 CG PRO A 27 -0.126 -14.000 6.835 1.00 0.00 C ATOM 387 CD PRO A 27 -0.879 -15.221 6.274 1.00 0.00 C ATOM 0 HA PRO A 27 1.768 -15.037 4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.987 -13.513 6.548 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.965 -13.017 5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.157 -14.164 7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.757 -13.112 6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.133 -15.929 7.063 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.814 -14.927 5.797 1.00 0.00 H new ATOM 395 N ASN A 28 2.793 -17.107 5.499 1.00 0.00 N ATOM 396 CA ASN A 28 3.801 -17.954 6.194 1.00 0.00 C ATOM 397 C ASN A 28 4.720 -18.598 5.155 1.00 0.00 C ATOM 398 O ASN A 28 5.120 -19.738 5.284 1.00 0.00 O ATOM 399 CB ASN A 28 3.086 -19.047 6.992 1.00 0.00 C ATOM 400 CG ASN A 28 2.278 -19.928 6.038 1.00 0.00 C ATOM 401 OD1 ASN A 28 2.218 -19.663 4.854 1.00 0.00 O ATOM 402 ND2 ASN A 28 1.650 -20.971 6.506 1.00 0.00 N ATOM 0 H ASN A 28 2.445 -17.483 4.617 1.00 0.00 H new ATOM 0 HA ASN A 28 4.391 -17.339 6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.813 -19.651 7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.427 -18.598 7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.108 -21.564 5.878 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.701 -21.193 7.500 1.00 0.00 H new ATOM 409 N ARG A 29 5.056 -17.874 4.122 1.00 0.00 N ATOM 410 CA ARG A 29 5.946 -18.440 3.072 1.00 0.00 C ATOM 411 C ARG A 29 5.160 -19.453 2.235 1.00 0.00 C ATOM 412 O ARG A 29 4.159 -19.987 2.670 1.00 0.00 O ATOM 413 CB ARG A 29 7.139 -19.134 3.731 1.00 0.00 C ATOM 414 CG ARG A 29 8.421 -18.758 2.987 1.00 0.00 C ATOM 415 CD ARG A 29 8.897 -19.950 2.154 1.00 0.00 C ATOM 416 NE ARG A 29 10.294 -19.707 1.691 1.00 0.00 N ATOM 417 CZ ARG A 29 10.923 -20.622 1.006 1.00 0.00 C ATOM 418 NH1 ARG A 29 10.259 -21.614 0.477 1.00 0.00 N ATOM 419 NH2 ARG A 29 12.217 -20.547 0.849 1.00 0.00 N ATOM 0 H ARG A 29 4.751 -16.914 3.961 1.00 0.00 H new ATOM 0 HA ARG A 29 6.308 -17.638 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.213 -18.838 4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.000 -20.215 3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.240 -17.899 2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.194 -18.466 3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.853 -20.863 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.239 -20.095 1.297 1.00 0.00 H new ATOM 0 HE ARG A 29 10.758 -18.825 1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.248 -21.674 0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.751 -22.329 -0.058 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.737 -19.773 1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.708 -21.263 0.313 1.00 0.00 H new ATOM 433 N ASN A 30 5.601 -19.720 1.037 1.00 0.00 N ATOM 434 CA ASN A 30 4.871 -20.694 0.178 1.00 0.00 C ATOM 435 C ASN A 30 3.489 -20.131 -0.161 1.00 0.00 C ATOM 436 O ASN A 30 2.667 -19.915 0.707 1.00 0.00 O ATOM 437 CB ASN A 30 4.714 -22.019 0.928 1.00 0.00 C ATOM 438 CG ASN A 30 5.590 -23.087 0.270 1.00 0.00 C ATOM 439 OD1 ASN A 30 5.104 -23.914 -0.474 1.00 0.00 O ATOM 440 ND2 ASN A 30 6.872 -23.103 0.515 1.00 0.00 N ATOM 0 H ASN A 30 6.433 -19.307 0.616 1.00 0.00 H new ATOM 0 HA ASN A 30 5.432 -20.864 -0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.999 -21.893 1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.670 -22.333 0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.465 -23.810 0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.280 -22.408 1.140 1.00 0.00 H new ATOM 447 N LYS A 31 3.229 -19.891 -1.417 1.00 0.00 N ATOM 448 CA LYS A 31 1.900 -19.340 -1.810 1.00 0.00 C ATOM 449 C LYS A 31 1.622 -18.061 -1.019 1.00 0.00 C ATOM 450 O LYS A 31 1.205 -18.103 0.122 1.00 0.00 O ATOM 451 CB LYS A 31 0.810 -20.372 -1.513 1.00 0.00 C ATOM 452 CG LYS A 31 -0.453 -20.024 -2.305 1.00 0.00 C ATOM 453 CD LYS A 31 -1.684 -20.270 -1.433 1.00 0.00 C ATOM 454 CE LYS A 31 -1.739 -19.222 -0.320 1.00 0.00 C ATOM 455 NZ LYS A 31 -2.020 -17.883 -0.910 1.00 0.00 N ATOM 0 H LYS A 31 3.878 -20.052 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 31 1.903 -19.113 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.157 -21.370 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.590 -20.387 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.421 -18.982 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.507 -20.631 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.588 -20.220 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.644 -21.271 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.513 -19.483 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.793 -19.201 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.436 -17.264 -0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.134 -17.463 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.687 -17.985 -1.701 1.00 0.00 H new ATOM 469 N VAL A 32 1.848 -16.924 -1.616 1.00 0.00 N ATOM 470 CA VAL A 32 1.596 -15.641 -0.900 1.00 0.00 C ATOM 471 C VAL A 32 1.512 -14.502 -1.918 1.00 0.00 C ATOM 472 O VAL A 32 1.927 -14.639 -3.052 1.00 0.00 O ATOM 473 CB VAL A 32 2.740 -15.369 0.077 1.00 0.00 C ATOM 474 CG1 VAL A 32 4.047 -15.203 -0.701 1.00 0.00 C ATOM 475 CG2 VAL A 32 2.446 -14.086 0.859 1.00 0.00 C ATOM 0 H VAL A 32 2.197 -16.827 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 32 0.658 -15.708 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 32 2.834 -16.205 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.863 -15.009 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.256 -16.115 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.954 -14.366 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.261 -13.890 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.353 -13.250 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.514 -14.203 1.413 1.00 0.00 H new ATOM 485 N ALA A 33 0.979 -13.378 -1.525 1.00 0.00 N ATOM 486 CA ALA A 33 0.870 -12.235 -2.474 1.00 0.00 C ATOM 487 C ALA A 33 2.066 -11.298 -2.289 1.00 0.00 C ATOM 488 O ALA A 33 2.136 -10.547 -1.335 1.00 0.00 O ATOM 489 CB ALA A 33 -0.426 -11.468 -2.203 1.00 0.00 C ATOM 0 H ALA A 33 0.615 -13.202 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 33 0.862 -12.613 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.506 -10.632 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.278 -12.134 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.419 -11.091 -1.180 1.00 0.00 H new ATOM 495 N THR A 34 3.006 -11.332 -3.195 1.00 0.00 N ATOM 496 CA THR A 34 4.188 -10.436 -3.068 1.00 0.00 C ATOM 497 C THR A 34 3.931 -9.154 -3.856 1.00 0.00 C ATOM 498 O THR A 34 3.253 -9.158 -4.863 1.00 0.00 O ATOM 499 CB THR A 34 5.435 -11.132 -3.621 1.00 0.00 C ATOM 500 OG1 THR A 34 5.043 -12.185 -4.491 1.00 0.00 O ATOM 501 CG2 THR A 34 6.261 -11.702 -2.466 1.00 0.00 C ATOM 0 H THR A 34 3.006 -11.940 -4.014 1.00 0.00 H new ATOM 0 HA THR A 34 4.350 -10.199 -2.016 1.00 0.00 H new ATOM 0 HB THR A 34 6.038 -10.410 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.841 -12.630 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.148 -12.197 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.563 -10.893 -1.801 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.661 -12.423 -1.911 1.00 0.00 H new ATOM 509 N ILE A 35 4.463 -8.054 -3.405 1.00 0.00 N ATOM 510 CA ILE A 35 4.243 -6.774 -4.131 1.00 0.00 C ATOM 511 C ILE A 35 5.584 -6.099 -4.402 1.00 0.00 C ATOM 512 O ILE A 35 6.183 -5.510 -3.524 1.00 0.00 O ATOM 513 CB ILE A 35 3.376 -5.846 -3.280 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.981 -6.452 -3.126 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.262 -4.483 -3.962 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.043 -5.413 -2.509 1.00 0.00 C ATOM 0 H ILE A 35 5.040 -7.986 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 35 3.742 -6.980 -5.077 1.00 0.00 H new ATOM 0 HB ILE A 35 3.833 -5.724 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.601 -6.770 -4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.025 -7.339 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.644 -3.823 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.255 -4.048 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.806 -4.605 -4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.047 -5.842 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.422 -5.116 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.991 -4.539 -3.158 1.00 0.00 H new ATOM 528 N LYS A 36 6.060 -6.169 -5.613 1.00 0.00 N ATOM 529 CA LYS A 36 7.359 -5.519 -5.933 1.00 0.00 C ATOM 530 C LYS A 36 7.287 -4.048 -5.525 1.00 0.00 C ATOM 531 O LYS A 36 6.249 -3.422 -5.606 1.00 0.00 O ATOM 532 CB LYS A 36 7.628 -5.619 -7.436 1.00 0.00 C ATOM 533 CG LYS A 36 8.188 -7.005 -7.763 1.00 0.00 C ATOM 534 CD LYS A 36 9.462 -6.855 -8.599 1.00 0.00 C ATOM 535 CE LYS A 36 10.058 -8.236 -8.879 1.00 0.00 C ATOM 536 NZ LYS A 36 9.211 -8.949 -9.878 1.00 0.00 N ATOM 0 H LYS A 36 5.607 -6.647 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 36 8.164 -6.017 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.707 -5.446 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.335 -4.848 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.405 -7.548 -6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.448 -7.589 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.236 -6.348 -9.537 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.186 -6.236 -8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.076 -8.135 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.115 -8.813 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.714 -9.792 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.317 -9.237 -9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.011 -8.316 -10.678 1.00 0.00 H new ATOM 550 N ARG A 37 8.379 -3.487 -5.091 1.00 0.00 N ATOM 551 CA ARG A 37 8.367 -2.056 -4.687 1.00 0.00 C ATOM 552 C ARG A 37 8.166 -1.206 -5.933 1.00 0.00 C ATOM 553 O ARG A 37 7.700 -0.086 -5.876 1.00 0.00 O ATOM 554 CB ARG A 37 9.706 -1.703 -4.046 1.00 0.00 C ATOM 555 CG ARG A 37 9.471 -0.808 -2.828 1.00 0.00 C ATOM 556 CD ARG A 37 8.753 -1.601 -1.735 1.00 0.00 C ATOM 557 NE ARG A 37 8.639 -0.761 -0.511 1.00 0.00 N ATOM 558 CZ ARG A 37 8.157 -1.270 0.589 1.00 0.00 C ATOM 559 NH1 ARG A 37 6.868 -1.275 0.796 1.00 0.00 N ATOM 560 NH2 ARG A 37 8.962 -1.773 1.485 1.00 0.00 N ATOM 0 H ARG A 37 9.279 -3.958 -4.999 1.00 0.00 H new ATOM 0 HA ARG A 37 7.564 -1.872 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.228 -2.612 -3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.343 -1.192 -4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.423 -0.432 -2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.875 0.060 -3.112 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.763 -1.900 -2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.303 -2.515 -1.512 1.00 0.00 H new ATOM 0 HE ARG A 37 8.938 0.214 -0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.238 -0.881 0.098 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.491 -1.673 1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.969 -1.768 1.325 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.584 -2.171 2.345 1.00 0.00 H new ATOM 574 N ASP A 38 8.528 -1.740 -7.063 1.00 0.00 N ATOM 575 CA ASP A 38 8.377 -0.984 -8.332 1.00 0.00 C ATOM 576 C ASP A 38 6.917 -0.554 -8.512 1.00 0.00 C ATOM 577 O ASP A 38 6.626 0.411 -9.191 1.00 0.00 O ATOM 578 CB ASP A 38 8.791 -1.874 -9.506 1.00 0.00 C ATOM 579 CG ASP A 38 10.049 -1.305 -10.163 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.131 -0.095 -10.294 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.909 -2.089 -10.527 1.00 0.00 O ATOM 0 H ASP A 38 8.925 -2.674 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 38 9.011 -0.098 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.978 -2.889 -9.157 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.982 -1.931 -10.235 1.00 0.00 H new ATOM 586 N LYS A 39 5.996 -1.265 -7.920 1.00 0.00 N ATOM 587 CA LYS A 39 4.559 -0.893 -8.075 1.00 0.00 C ATOM 588 C LYS A 39 4.027 -0.283 -6.775 1.00 0.00 C ATOM 589 O LYS A 39 3.485 0.806 -6.771 1.00 0.00 O ATOM 590 CB LYS A 39 3.746 -2.139 -8.426 1.00 0.00 C ATOM 591 CG LYS A 39 3.234 -2.021 -9.864 1.00 0.00 C ATOM 592 CD LYS A 39 2.212 -3.125 -10.138 1.00 0.00 C ATOM 593 CE LYS A 39 2.933 -4.470 -10.252 1.00 0.00 C ATOM 594 NZ LYS A 39 1.953 -5.525 -10.636 1.00 0.00 N ATOM 0 H LYS A 39 6.174 -2.084 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 39 4.467 -0.157 -8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.363 -3.031 -8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.908 -2.246 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.778 -1.043 -10.019 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.066 -2.100 -10.564 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.476 -3.162 -9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.669 -2.912 -11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.727 -4.408 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.405 -4.724 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.441 -6.440 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.210 -5.589 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.523 -5.283 -11.551 1.00 0.00 H new ATOM 608 N VAL A 40 4.166 -0.968 -5.672 1.00 0.00 N ATOM 609 CA VAL A 40 3.659 -0.406 -4.389 1.00 0.00 C ATOM 610 C VAL A 40 4.130 1.045 -4.261 1.00 0.00 C ATOM 611 O VAL A 40 3.409 1.907 -3.799 1.00 0.00 O ATOM 612 CB VAL A 40 4.174 -1.259 -3.211 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.417 -0.626 -2.569 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.069 -1.373 -2.159 1.00 0.00 C ATOM 0 H VAL A 40 4.606 -1.886 -5.604 1.00 0.00 H new ATOM 0 HA VAL A 40 2.569 -0.426 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 40 4.447 -2.244 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.757 -1.249 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.210 -0.546 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.168 0.367 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.424 -1.974 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.801 -0.378 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.193 -1.848 -2.601 1.00 0.00 H new ATOM 624 N ARG A 41 5.338 1.317 -4.673 1.00 0.00 N ATOM 625 CA ARG A 41 5.863 2.706 -4.583 1.00 0.00 C ATOM 626 C ARG A 41 5.048 3.617 -5.504 1.00 0.00 C ATOM 627 O ARG A 41 4.726 4.733 -5.159 1.00 0.00 O ATOM 628 CB ARG A 41 7.331 2.722 -5.012 1.00 0.00 C ATOM 629 CG ARG A 41 7.837 4.166 -5.066 1.00 0.00 C ATOM 630 CD ARG A 41 8.675 4.366 -6.330 1.00 0.00 C ATOM 631 NE ARG A 41 7.776 4.436 -7.516 1.00 0.00 N ATOM 632 CZ ARG A 41 8.274 4.682 -8.698 1.00 0.00 C ATOM 633 NH1 ARG A 41 8.769 5.860 -8.964 1.00 0.00 N ATOM 634 NH2 ARG A 41 8.276 3.750 -9.612 1.00 0.00 N ATOM 0 H ARG A 41 5.984 0.634 -5.069 1.00 0.00 H new ATOM 0 HA ARG A 41 5.782 3.063 -3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.931 2.142 -4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.439 2.252 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.995 4.858 -5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.435 4.386 -4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.261 5.282 -6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.382 3.544 -6.444 1.00 0.00 H new ATOM 0 HE ARG A 41 6.772 4.292 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.767 6.587 -8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.158 6.053 -9.887 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.889 2.830 -9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.665 3.942 -10.535 1.00 0.00 H new ATOM 648 N GLU A 42 4.713 3.151 -6.674 1.00 0.00 N ATOM 649 CA GLU A 42 3.919 3.993 -7.614 1.00 0.00 C ATOM 650 C GLU A 42 2.648 4.485 -6.917 1.00 0.00 C ATOM 651 O GLU A 42 2.353 5.663 -6.896 1.00 0.00 O ATOM 652 CB GLU A 42 3.530 3.164 -8.839 1.00 0.00 C ATOM 653 CG GLU A 42 4.764 2.929 -9.712 1.00 0.00 C ATOM 654 CD GLU A 42 4.366 2.115 -10.946 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.301 1.521 -10.918 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.132 2.102 -11.895 1.00 0.00 O ATOM 0 H GLU A 42 4.954 2.223 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 42 4.520 4.848 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.107 2.210 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.760 3.681 -9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.195 3.883 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.529 2.399 -9.144 1.00 0.00 H new ATOM 663 N ILE A 43 1.887 3.587 -6.351 1.00 0.00 N ATOM 664 CA ILE A 43 0.628 3.998 -5.664 1.00 0.00 C ATOM 665 C ILE A 43 0.944 4.983 -4.535 1.00 0.00 C ATOM 666 O ILE A 43 0.271 5.980 -4.366 1.00 0.00 O ATOM 667 CB ILE A 43 -0.062 2.763 -5.082 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.666 1.934 -6.217 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.176 3.201 -4.127 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.651 0.453 -5.832 1.00 0.00 C ATOM 0 H ILE A 43 2.083 2.586 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.030 4.481 -6.386 1.00 0.00 H new ATOM 0 HB ILE A 43 0.668 2.163 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.687 2.259 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.099 2.088 -7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.667 2.321 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.749 3.793 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.906 3.802 -4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.081 -0.138 -6.641 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.376 0.133 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.237 0.307 -4.925 1.00 0.00 H new ATOM 682 N ALA A 44 1.952 4.709 -3.753 1.00 0.00 N ATOM 683 CA ALA A 44 2.295 5.629 -2.629 1.00 0.00 C ATOM 684 C ALA A 44 2.572 7.031 -3.180 1.00 0.00 C ATOM 685 O ALA A 44 1.828 7.961 -2.938 1.00 0.00 O ATOM 686 CB ALA A 44 3.538 5.108 -1.906 1.00 0.00 C ATOM 0 H ALA A 44 2.553 3.890 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 44 1.460 5.675 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.789 5.779 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.339 4.111 -1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.373 5.062 -2.605 1.00 0.00 H new ATOM 692 N GLU A 45 3.635 7.190 -3.916 1.00 0.00 N ATOM 693 CA GLU A 45 3.958 8.528 -4.483 1.00 0.00 C ATOM 694 C GLU A 45 2.693 9.148 -5.081 1.00 0.00 C ATOM 695 O GLU A 45 2.545 10.353 -5.136 1.00 0.00 O ATOM 696 CB GLU A 45 5.015 8.366 -5.576 1.00 0.00 C ATOM 697 CG GLU A 45 6.046 9.490 -5.465 1.00 0.00 C ATOM 698 CD GLU A 45 6.486 9.916 -6.867 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.619 10.162 -7.688 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.683 9.987 -7.095 1.00 0.00 O ATOM 0 H GLU A 45 4.296 6.449 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 45 4.340 9.179 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.506 7.398 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.543 8.388 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.618 10.339 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.907 9.153 -4.888 1.00 0.00 H new ATOM 707 N LEU A 46 1.779 8.332 -5.529 1.00 0.00 N ATOM 708 CA LEU A 46 0.522 8.867 -6.123 1.00 0.00 C ATOM 709 C LEU A 46 -0.324 9.516 -5.025 1.00 0.00 C ATOM 710 O LEU A 46 -0.838 10.606 -5.183 1.00 0.00 O ATOM 711 CB LEU A 46 -0.266 7.717 -6.754 1.00 0.00 C ATOM 712 CG LEU A 46 -0.333 7.906 -8.269 1.00 0.00 C ATOM 713 CD1 LEU A 46 1.065 7.741 -8.869 1.00 0.00 C ATOM 714 CD2 LEU A 46 -1.274 6.855 -8.867 1.00 0.00 C ATOM 0 H LEU A 46 1.849 7.315 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 46 0.764 9.609 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.210 6.765 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.273 7.682 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.707 8.904 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.015 7.876 -9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.735 8.486 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.442 6.743 -8.645 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.325 6.986 -9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.897 5.858 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.270 6.973 -8.440 1.00 0.00 H new ATOM 726 N LYS A 47 -0.477 8.848 -3.915 1.00 0.00 N ATOM 727 CA LYS A 47 -1.294 9.412 -2.805 1.00 0.00 C ATOM 728 C LYS A 47 -0.392 10.183 -1.837 1.00 0.00 C ATOM 729 O LYS A 47 -0.781 10.491 -0.730 1.00 0.00 O ATOM 730 CB LYS A 47 -1.980 8.268 -2.051 1.00 0.00 C ATOM 731 CG LYS A 47 -2.600 7.292 -3.054 1.00 0.00 C ATOM 732 CD LYS A 47 -2.518 5.868 -2.501 1.00 0.00 C ATOM 733 CE LYS A 47 -3.141 5.826 -1.105 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.046 4.443 -0.560 1.00 0.00 N ATOM 0 H LYS A 47 -0.069 7.932 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.044 10.088 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.257 7.749 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.751 8.665 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.639 7.560 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.076 7.353 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.040 5.178 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.479 5.543 -2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.627 6.525 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.184 6.139 -1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.911 4.219 -0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.937 3.768 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.224 4.375 0.073 1.00 0.00 H new ATOM 748 N MET A 48 0.809 10.495 -2.241 1.00 0.00 N ATOM 749 CA MET A 48 1.725 11.242 -1.329 1.00 0.00 C ATOM 750 C MET A 48 1.053 12.534 -0.853 1.00 0.00 C ATOM 751 O MET A 48 1.049 12.823 0.328 1.00 0.00 O ATOM 752 CB MET A 48 3.027 11.580 -2.059 1.00 0.00 C ATOM 753 CG MET A 48 4.194 11.522 -1.071 1.00 0.00 C ATOM 754 SD MET A 48 4.269 13.070 -0.134 1.00 0.00 S ATOM 755 CE MET A 48 5.813 13.692 -0.844 1.00 0.00 C ATOM 0 H MET A 48 1.195 10.267 -3.157 1.00 0.00 H new ATOM 0 HA MET A 48 1.949 10.616 -0.465 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.192 10.877 -2.875 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.961 12.573 -2.503 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.068 10.679 -0.392 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.130 11.363 -1.606 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.055 14.657 -0.400 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.618 12.986 -0.639 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.697 13.807 -1.922 1.00 0.00 H new ATOM 765 N PRO A 49 0.511 13.283 -1.781 1.00 0.00 N ATOM 766 CA PRO A 49 -0.161 14.559 -1.477 1.00 0.00 C ATOM 767 C PRO A 49 -1.598 14.322 -0.995 1.00 0.00 C ATOM 768 O PRO A 49 -2.478 15.123 -1.241 1.00 0.00 O ATOM 769 CB PRO A 49 -0.165 15.288 -2.822 1.00 0.00 C ATOM 770 CG PRO A 49 -0.036 14.197 -3.913 1.00 0.00 C ATOM 771 CD PRO A 49 0.519 12.938 -3.220 1.00 0.00 C ATOM 0 HA PRO A 49 0.336 15.118 -0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.084 15.859 -2.951 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.661 15.996 -2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.004 13.992 -4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.631 14.525 -4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.101 12.065 -3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.525 12.703 -3.568 1.00 0.00 H new ATOM 779 N ASP A 50 -1.853 13.235 -0.315 1.00 0.00 N ATOM 780 CA ASP A 50 -3.242 12.975 0.161 1.00 0.00 C ATOM 781 C ASP A 50 -3.211 12.301 1.535 1.00 0.00 C ATOM 782 O ASP A 50 -4.221 11.843 2.031 1.00 0.00 O ATOM 783 CB ASP A 50 -3.958 12.060 -0.835 1.00 0.00 C ATOM 784 CG ASP A 50 -3.462 12.356 -2.251 1.00 0.00 C ATOM 785 OD1 ASP A 50 -2.301 12.094 -2.519 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.253 12.840 -3.045 1.00 0.00 O ATOM 0 H ASP A 50 -1.166 12.522 -0.071 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.773 13.923 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.771 11.016 -0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.035 12.214 -0.776 1.00 0.00 H new ATOM 791 N LEU A 51 -2.066 12.230 2.157 1.00 0.00 N ATOM 792 CA LEU A 51 -1.997 11.578 3.497 1.00 0.00 C ATOM 793 C LEU A 51 -0.894 12.228 4.335 1.00 0.00 C ATOM 794 O LEU A 51 -0.147 11.556 5.020 1.00 0.00 O ATOM 795 CB LEU A 51 -1.705 10.078 3.341 1.00 0.00 C ATOM 796 CG LEU A 51 -1.012 9.807 2.001 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.456 10.223 2.089 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.098 8.314 1.678 1.00 0.00 C ATOM 0 H LEU A 51 -1.182 12.592 1.800 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.956 11.705 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.073 9.737 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.635 9.512 3.398 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.505 10.381 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.947 10.029 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.520 11.286 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.950 9.650 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.606 8.119 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.605 7.743 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.144 8.015 1.614 1.00 0.00 H new ATOM 810 N ASN A 52 -0.794 13.529 4.294 1.00 0.00 N ATOM 811 CA ASN A 52 0.252 14.229 5.093 1.00 0.00 C ATOM 812 C ASN A 52 1.566 13.448 5.024 1.00 0.00 C ATOM 813 O ASN A 52 2.065 12.967 6.022 1.00 0.00 O ATOM 814 CB ASN A 52 -0.205 14.326 6.551 1.00 0.00 C ATOM 815 CG ASN A 52 -0.821 15.703 6.804 1.00 0.00 C ATOM 816 OD1 ASN A 52 -0.123 16.641 7.134 1.00 0.00 O ATOM 817 ND2 ASN A 52 -2.108 15.863 6.664 1.00 0.00 N ATOM 0 H ASN A 52 -1.394 14.139 3.739 1.00 0.00 H new ATOM 0 HA ASN A 52 0.406 15.229 4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.934 13.545 6.767 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.641 14.166 7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.530 16.777 6.832 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.693 15.075 6.387 1.00 0.00 H new ATOM 824 N ALA A 53 2.130 13.316 3.856 1.00 0.00 N ATOM 825 CA ALA A 53 3.411 12.565 3.731 1.00 0.00 C ATOM 826 C ALA A 53 4.552 13.548 3.463 1.00 0.00 C ATOM 827 O ALA A 53 4.602 14.189 2.432 1.00 0.00 O ATOM 828 CB ALA A 53 3.308 11.571 2.574 1.00 0.00 C ATOM 0 H ALA A 53 1.761 13.695 2.984 1.00 0.00 H new ATOM 0 HA ALA A 53 3.609 12.024 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.245 11.021 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.494 10.872 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.111 12.110 1.647 1.00 0.00 H new ATOM 834 N ALA A 54 5.468 13.673 4.385 1.00 0.00 N ATOM 835 CA ALA A 54 6.604 14.616 4.187 1.00 0.00 C ATOM 836 C ALA A 54 7.308 14.306 2.864 1.00 0.00 C ATOM 837 O ALA A 54 7.175 15.025 1.894 1.00 0.00 O ATOM 838 CB ALA A 54 7.598 14.465 5.341 1.00 0.00 C ATOM 0 H ALA A 54 5.478 13.162 5.268 1.00 0.00 H new ATOM 0 HA ALA A 54 6.225 15.638 4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.430 15.155 5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.099 14.690 6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.975 13.442 5.365 1.00 0.00 H new ATOM 844 N SER A 55 8.062 13.241 2.818 1.00 0.00 N ATOM 845 CA SER A 55 8.777 12.887 1.560 1.00 0.00 C ATOM 846 C SER A 55 8.347 11.492 1.100 1.00 0.00 C ATOM 847 O SER A 55 7.446 10.897 1.656 1.00 0.00 O ATOM 848 CB SER A 55 10.285 12.895 1.818 1.00 0.00 C ATOM 849 OG SER A 55 10.570 12.069 2.939 1.00 0.00 O ATOM 0 H SER A 55 8.213 12.601 3.598 1.00 0.00 H new ATOM 0 HA SER A 55 8.533 13.614 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.819 12.533 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.629 13.912 2.004 1.00 0.00 H new ATOM 0 HG SER A 55 11.535 12.069 3.108 1.00 0.00 H new ATOM 855 N ILE A 56 8.987 10.967 0.091 1.00 0.00 N ATOM 856 CA ILE A 56 8.618 9.610 -0.403 1.00 0.00 C ATOM 857 C ILE A 56 9.012 8.566 0.644 1.00 0.00 C ATOM 858 O ILE A 56 8.233 7.708 1.000 1.00 0.00 O ATOM 859 CB ILE A 56 9.365 9.321 -1.703 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.163 10.485 -2.678 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.830 8.032 -2.328 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.668 10.781 -2.819 1.00 0.00 C ATOM 0 H ILE A 56 9.750 11.419 -0.413 1.00 0.00 H new ATOM 0 HA ILE A 56 7.543 9.568 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 56 10.428 9.205 -1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.687 11.370 -2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.588 10.237 -3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.365 7.828 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.977 7.204 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.767 8.144 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.525 11.609 -3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.156 9.897 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.257 11.048 -1.846 1.00 0.00 H new ATOM 874 N GLU A 57 10.214 8.633 1.144 1.00 0.00 N ATOM 875 CA GLU A 57 10.635 7.643 2.172 1.00 0.00 C ATOM 876 C GLU A 57 9.594 7.633 3.291 1.00 0.00 C ATOM 877 O GLU A 57 9.464 6.677 4.028 1.00 0.00 O ATOM 878 CB GLU A 57 12.002 8.035 2.740 1.00 0.00 C ATOM 879 CG GLU A 57 13.100 7.258 2.010 1.00 0.00 C ATOM 880 CD GLU A 57 14.386 8.088 1.991 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.672 8.725 2.990 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.063 8.071 0.975 1.00 0.00 O ATOM 0 H GLU A 57 10.918 9.325 0.887 1.00 0.00 H new ATOM 0 HA GLU A 57 10.712 6.652 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.162 9.107 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.039 7.821 3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.277 6.304 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.785 7.033 0.991 1.00 0.00 H new ATOM 889 N ALA A 58 8.843 8.695 3.413 1.00 0.00 N ATOM 890 CA ALA A 58 7.800 8.758 4.472 1.00 0.00 C ATOM 891 C ALA A 58 6.529 8.071 3.966 1.00 0.00 C ATOM 892 O ALA A 58 5.825 7.421 4.714 1.00 0.00 O ATOM 893 CB ALA A 58 7.496 10.221 4.803 1.00 0.00 C ATOM 0 H ALA A 58 8.909 9.523 2.822 1.00 0.00 H new ATOM 0 HA ALA A 58 8.156 8.253 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.732 10.267 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.403 10.710 5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.136 10.729 3.908 1.00 0.00 H new ATOM 899 N ALA A 59 6.229 8.203 2.700 1.00 0.00 N ATOM 900 CA ALA A 59 5.006 7.548 2.155 1.00 0.00 C ATOM 901 C ALA A 59 5.253 6.042 2.038 1.00 0.00 C ATOM 902 O ALA A 59 4.594 5.239 2.672 1.00 0.00 O ATOM 903 CB ALA A 59 4.686 8.124 0.774 1.00 0.00 C ATOM 0 H ALA A 59 6.777 8.734 2.023 1.00 0.00 H new ATOM 0 HA ALA A 59 4.164 7.731 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.791 7.643 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.514 9.197 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.524 7.942 0.101 1.00 0.00 H new ATOM 909 N MET A 60 6.204 5.654 1.235 1.00 0.00 N ATOM 910 CA MET A 60 6.503 4.205 1.081 1.00 0.00 C ATOM 911 C MET A 60 6.512 3.546 2.459 1.00 0.00 C ATOM 912 O MET A 60 6.227 2.374 2.598 1.00 0.00 O ATOM 913 CB MET A 60 7.874 4.039 0.423 1.00 0.00 C ATOM 914 CG MET A 60 7.718 4.090 -1.097 1.00 0.00 C ATOM 915 SD MET A 60 9.264 4.663 -1.842 1.00 0.00 S ATOM 916 CE MET A 60 10.179 3.110 -1.684 1.00 0.00 C ATOM 0 H MET A 60 6.787 6.279 0.679 1.00 0.00 H new ATOM 0 HA MET A 60 5.743 3.734 0.457 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.548 4.828 0.757 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.321 3.091 0.722 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.461 3.103 -1.480 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.901 4.759 -1.367 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.183 3.236 -2.090 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.245 2.832 -0.632 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.661 2.325 -2.235 1.00 0.00 H new ATOM 926 N ARG A 61 6.830 4.291 3.484 1.00 0.00 N ATOM 927 CA ARG A 61 6.846 3.701 4.851 1.00 0.00 C ATOM 928 C ARG A 61 5.446 3.188 5.183 1.00 0.00 C ATOM 929 O ARG A 61 5.263 2.045 5.550 1.00 0.00 O ATOM 930 CB ARG A 61 7.260 4.766 5.868 1.00 0.00 C ATOM 931 CG ARG A 61 8.074 4.112 6.986 1.00 0.00 C ATOM 932 CD ARG A 61 8.224 5.093 8.149 1.00 0.00 C ATOM 933 NE ARG A 61 7.545 4.544 9.357 1.00 0.00 N ATOM 934 CZ ARG A 61 8.027 3.490 9.957 1.00 0.00 C ATOM 935 NH1 ARG A 61 9.314 3.280 9.970 1.00 0.00 N ATOM 936 NH2 ARG A 61 7.222 2.649 10.547 1.00 0.00 N ATOM 0 H ARG A 61 7.078 5.279 3.433 1.00 0.00 H new ATOM 0 HA ARG A 61 7.560 2.878 4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.850 5.541 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.377 5.252 6.283 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.580 3.202 7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.056 3.821 6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.280 5.265 8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.791 6.057 7.883 1.00 0.00 H new ATOM 0 HE ARG A 61 6.702 4.993 9.715 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.943 3.939 9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.692 2.457 10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.216 2.815 10.539 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.599 1.825 11.016 1.00 0.00 H new ATOM 950 N MET A 62 4.459 4.024 5.046 1.00 0.00 N ATOM 951 CA MET A 62 3.065 3.588 5.342 1.00 0.00 C ATOM 952 C MET A 62 2.674 2.477 4.366 1.00 0.00 C ATOM 953 O MET A 62 1.733 1.742 4.589 1.00 0.00 O ATOM 954 CB MET A 62 2.111 4.774 5.174 1.00 0.00 C ATOM 955 CG MET A 62 2.211 5.689 6.396 1.00 0.00 C ATOM 956 SD MET A 62 1.514 7.310 5.992 1.00 0.00 S ATOM 957 CE MET A 62 2.865 7.880 4.931 1.00 0.00 C ATOM 0 H MET A 62 4.555 4.993 4.741 1.00 0.00 H new ATOM 0 HA MET A 62 3.004 3.219 6.366 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.360 5.329 4.270 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.088 4.417 5.057 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.675 5.250 7.238 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.252 5.794 6.701 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.453 8.629 5.461 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.504 7.036 4.670 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.453 8.318 4.022 1.00 0.00 H new ATOM 967 N ILE A 63 3.388 2.355 3.279 1.00 0.00 N ATOM 968 CA ILE A 63 3.057 1.296 2.282 1.00 0.00 C ATOM 969 C ILE A 63 3.598 -0.056 2.754 1.00 0.00 C ATOM 970 O ILE A 63 2.972 -1.081 2.572 1.00 0.00 O ATOM 971 CB ILE A 63 3.688 1.654 0.938 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.047 2.935 0.401 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.454 0.515 -0.053 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.611 2.639 -0.037 1.00 0.00 C ATOM 0 H ILE A 63 4.186 2.943 3.038 1.00 0.00 H new ATOM 0 HA ILE A 63 1.974 1.229 2.176 1.00 0.00 H new ATOM 0 HB ILE A 63 4.759 1.809 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.053 3.708 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.624 3.319 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.904 0.769 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.908 -0.399 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.383 0.361 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.152 3.551 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.618 1.880 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.038 2.275 0.816 1.00 0.00 H new ATOM 986 N GLU A 64 4.757 -0.072 3.350 1.00 0.00 N ATOM 987 CA GLU A 64 5.333 -1.362 3.824 1.00 0.00 C ATOM 988 C GLU A 64 4.723 -1.733 5.177 1.00 0.00 C ATOM 989 O GLU A 64 4.638 -2.892 5.533 1.00 0.00 O ATOM 990 CB GLU A 64 6.851 -1.220 3.966 1.00 0.00 C ATOM 991 CG GLU A 64 7.171 -0.359 5.190 1.00 0.00 C ATOM 992 CD GLU A 64 7.575 -1.261 6.356 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.949 -2.394 6.101 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.503 -0.804 7.486 1.00 0.00 O ATOM 0 H GLU A 64 5.331 0.752 3.530 1.00 0.00 H new ATOM 0 HA GLU A 64 5.107 -2.147 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.311 -2.203 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.270 -0.765 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.978 0.336 4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.302 0.240 5.464 1.00 0.00 H new ATOM 1001 N GLY A 65 4.296 -0.761 5.933 1.00 0.00 N ATOM 1002 CA GLY A 65 3.689 -1.062 7.259 1.00 0.00 C ATOM 1003 C GLY A 65 2.194 -1.323 7.081 1.00 0.00 C ATOM 1004 O GLY A 65 1.592 -2.079 7.819 1.00 0.00 O ATOM 0 H GLY A 65 4.341 0.229 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.172 -1.932 7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.846 -0.227 7.942 1.00 0.00 H new ATOM 1008 N THR A 66 1.590 -0.704 6.105 1.00 0.00 N ATOM 1009 CA THR A 66 0.134 -0.913 5.873 1.00 0.00 C ATOM 1010 C THR A 66 -0.066 -2.080 4.905 1.00 0.00 C ATOM 1011 O THR A 66 -1.089 -2.735 4.911 1.00 0.00 O ATOM 1012 CB THR A 66 -0.474 0.356 5.270 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.080 1.481 6.043 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.000 0.242 5.268 1.00 0.00 C ATOM 0 H THR A 66 2.044 -0.061 5.456 1.00 0.00 H new ATOM 0 HA THR A 66 -0.355 -1.137 6.821 1.00 0.00 H new ATOM 0 HB THR A 66 -0.121 0.478 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.859 1.692 5.859 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.432 1.146 4.839 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.300 -0.621 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.357 0.120 6.291 1.00 0.00 H new ATOM 1022 N ALA A 67 0.903 -2.343 4.072 1.00 0.00 N ATOM 1023 CA ALA A 67 0.764 -3.464 3.102 1.00 0.00 C ATOM 1024 C ALA A 67 1.308 -4.751 3.726 1.00 0.00 C ATOM 1025 O ALA A 67 1.185 -5.824 3.165 1.00 0.00 O ATOM 1026 CB ALA A 67 1.549 -3.132 1.830 1.00 0.00 C ATOM 0 H ALA A 67 1.784 -1.831 4.022 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.288 -3.605 2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.450 -3.951 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.156 -2.216 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.601 -2.992 2.078 1.00 0.00 H new ATOM 1032 N ARG A 68 1.906 -4.659 4.883 1.00 0.00 N ATOM 1033 CA ARG A 68 2.452 -5.880 5.539 1.00 0.00 C ATOM 1034 C ARG A 68 1.624 -6.202 6.786 1.00 0.00 C ATOM 1035 O ARG A 68 1.605 -7.323 7.257 1.00 0.00 O ATOM 1036 CB ARG A 68 3.910 -5.638 5.942 1.00 0.00 C ATOM 1037 CG ARG A 68 4.561 -6.969 6.318 1.00 0.00 C ATOM 1038 CD ARG A 68 6.014 -6.732 6.737 1.00 0.00 C ATOM 1039 NE ARG A 68 6.740 -8.033 6.759 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.044 -8.055 6.707 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.744 -7.837 7.786 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.648 -8.297 5.575 1.00 0.00 N ATOM 0 H ARG A 68 2.040 -3.791 5.402 1.00 0.00 H new ATOM 0 HA ARG A 68 2.403 -6.718 4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.454 -5.174 5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.956 -4.947 6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.009 -7.437 7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.524 -7.655 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.497 -6.045 6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.049 -6.267 7.722 1.00 0.00 H new ATOM 0 HE ARG A 68 6.217 -8.907 6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.272 -7.649 8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.763 -7.854 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.101 -8.469 4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.667 -8.314 5.534 1.00 0.00 H new ATOM 1056 N SER A 69 0.942 -5.229 7.325 1.00 0.00 N ATOM 1057 CA SER A 69 0.118 -5.481 8.542 1.00 0.00 C ATOM 1058 C SER A 69 -1.026 -6.439 8.200 1.00 0.00 C ATOM 1059 O SER A 69 -1.715 -6.931 9.071 1.00 0.00 O ATOM 1060 CB SER A 69 -0.461 -4.158 9.047 1.00 0.00 C ATOM 1061 OG SER A 69 -0.600 -3.258 7.954 1.00 0.00 O ATOM 0 H SER A 69 0.919 -4.271 6.976 1.00 0.00 H new ATOM 0 HA SER A 69 0.743 -5.926 9.316 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.429 -4.328 9.519 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.192 -3.728 9.806 1.00 0.00 H new ATOM 0 HG SER A 69 0.232 -2.753 7.839 1.00 0.00 H new ATOM 1067 N MET A 70 -1.234 -6.708 6.939 1.00 0.00 N ATOM 1068 CA MET A 70 -2.334 -7.635 6.549 1.00 0.00 C ATOM 1069 C MET A 70 -1.746 -8.992 6.159 1.00 0.00 C ATOM 1070 O MET A 70 -2.270 -10.029 6.514 1.00 0.00 O ATOM 1071 CB MET A 70 -3.099 -7.047 5.361 1.00 0.00 C ATOM 1072 CG MET A 70 -4.110 -6.016 5.866 1.00 0.00 C ATOM 1073 SD MET A 70 -3.544 -4.354 5.431 1.00 0.00 S ATOM 1074 CE MET A 70 -4.288 -4.286 3.783 1.00 0.00 C ATOM 0 H MET A 70 -0.691 -6.327 6.164 1.00 0.00 H new ATOM 0 HA MET A 70 -3.015 -7.765 7.390 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.405 -6.580 4.663 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.613 -7.840 4.817 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.089 -6.205 5.426 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.224 -6.102 6.947 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.864 -3.450 3.227 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.083 -5.216 3.253 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.366 -4.151 3.876 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.664 -8.993 5.431 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.048 -10.287 5.021 1.00 0.00 C ATOM 1086 C GLY A 71 0.682 -10.106 3.689 1.00 0.00 C ATOM 1087 O GLY A 71 1.526 -10.897 3.321 1.00 0.00 O ATOM 0 H GLY A 71 -0.181 -8.157 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.649 -10.629 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.817 -11.054 4.925 1.00 0.00 H new ATOM 1091 N ILE A 72 0.363 -9.071 2.964 1.00 0.00 N ATOM 1092 CA ILE A 72 1.038 -8.843 1.659 1.00 0.00 C ATOM 1093 C ILE A 72 2.491 -8.438 1.906 1.00 0.00 C ATOM 1094 O ILE A 72 2.773 -7.556 2.693 1.00 0.00 O ATOM 1095 CB ILE A 72 0.317 -7.725 0.904 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -1.192 -7.982 0.936 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.799 -7.695 -0.547 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.871 -6.926 1.810 1.00 0.00 C ATOM 0 H ILE A 72 -0.336 -8.374 3.220 1.00 0.00 H new ATOM 0 HA ILE A 72 1.011 -9.758 1.067 1.00 0.00 H new ATOM 0 HB ILE A 72 0.534 -6.767 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.599 -7.949 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.394 -8.979 1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.285 -6.898 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.874 -7.514 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.582 -8.652 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.945 -7.109 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.472 -6.981 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.680 -5.935 1.398 1.00 0.00 H new ATOM 1110 N VAL A 73 3.418 -9.071 1.243 1.00 0.00 N ATOM 1111 CA VAL A 73 4.848 -8.710 1.449 1.00 0.00 C ATOM 1112 C VAL A 73 5.276 -7.720 0.361 1.00 0.00 C ATOM 1113 O VAL A 73 4.583 -7.522 -0.616 1.00 0.00 O ATOM 1114 CB VAL A 73 5.712 -9.987 1.417 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.394 -10.167 0.054 1.00 0.00 C ATOM 1116 CG2 VAL A 73 6.783 -9.894 2.506 1.00 0.00 C ATOM 0 H VAL A 73 3.249 -9.819 0.571 1.00 0.00 H new ATOM 0 HA VAL A 73 4.983 -8.236 2.421 1.00 0.00 H new ATOM 0 HB VAL A 73 5.062 -10.845 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.995 -11.076 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.636 -10.243 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.036 -9.310 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.398 -10.794 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.411 -9.022 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.304 -9.800 3.481 1.00 0.00 H new ATOM 1126 N VAL A 74 6.408 -7.096 0.523 1.00 0.00 N ATOM 1127 CA VAL A 74 6.868 -6.121 -0.503 1.00 0.00 C ATOM 1128 C VAL A 74 8.368 -6.325 -0.758 1.00 0.00 C ATOM 1129 O VAL A 74 9.138 -6.542 0.157 1.00 0.00 O ATOM 1130 CB VAL A 74 6.578 -4.693 -0.001 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.800 -4.102 0.712 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.206 -3.803 -1.188 1.00 0.00 C ATOM 0 H VAL A 74 7.033 -7.218 1.319 1.00 0.00 H new ATOM 0 HA VAL A 74 6.337 -6.274 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 74 5.752 -4.738 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.568 -3.094 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.060 -4.726 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.642 -4.065 0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.001 -2.793 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.033 -3.778 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.319 -4.203 -1.679 1.00 0.00 H new ATOM 1142 N GLU A 75 8.790 -6.262 -1.992 1.00 0.00 N ATOM 1143 CA GLU A 75 10.237 -6.458 -2.293 1.00 0.00 C ATOM 1144 C GLU A 75 10.987 -5.143 -2.073 1.00 0.00 C ATOM 1145 O GLU A 75 10.451 -4.073 -2.273 1.00 0.00 O ATOM 1146 CB GLU A 75 10.404 -6.902 -3.749 1.00 0.00 C ATOM 1147 CG GLU A 75 10.919 -8.342 -3.789 1.00 0.00 C ATOM 1148 CD GLU A 75 9.833 -9.260 -4.354 1.00 0.00 C ATOM 1149 OE1 GLU A 75 8.730 -9.231 -3.834 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.123 -9.977 -5.298 1.00 0.00 O ATOM 0 H GLU A 75 8.197 -6.084 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 75 10.643 -7.224 -1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.451 -6.831 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.101 -6.241 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.816 -8.401 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.199 -8.667 -2.787 1.00 0.00 H new ATOM 1157 N ASP A 76 12.224 -5.213 -1.664 1.00 0.00 N ATOM 1158 CA ASP A 76 13.002 -3.964 -1.433 1.00 0.00 C ATOM 1159 C ASP A 76 12.354 -3.165 -0.301 1.00 0.00 C ATOM 1160 O ASP A 76 11.147 -3.255 -0.156 1.00 0.00 O ATOM 1161 CB ASP A 76 13.006 -3.123 -2.712 1.00 0.00 C ATOM 1162 CG ASP A 76 14.449 -2.876 -3.154 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.239 -3.802 -3.076 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.740 -1.765 -3.565 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.078 -2.479 0.402 1.00 0.00 O ATOM 0 H ASP A 76 12.729 -6.080 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 76 14.027 -4.217 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.456 -3.637 -3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.500 -2.173 -2.537 1.00 0.00 H new TER 1170 ASP A 76