USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 562 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 ALA N :NH3+ -167:sc= 0 (180deg=-0.226) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0396) USER MOD Single : A 15 TYR OH : rot 57:sc= 1.29 USER MOD Single : A 19 GLN : amide:sc= -0.716 K(o=-0.72,f=-2) USER MOD Single : A 20 MET CE :methyl 139:sc= -0.421 (180deg=-3.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0.98 F(o=-0.78,f=0.98) USER MOD Single : A 27 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.81) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00712 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.017) USER MOD Single : A 38 TYR OH : rot 71:sc= -1.85! USER MOD Single : A 44 LYS NZ :NH3+ -123:sc= -1.47 (180deg=-1.9) USER MOD Single : A 49 THR OG1 : rot -110:sc= -0.544 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00238 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.018) USER MOD Single : A 65 GLN :FLIP amide:sc= -9.11! C(o=-16!,f=-9.1!) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.67 F(o=-4!,f=-1.7) USER MOD Single : A 71 CYS SG : rot 11:sc= 0.366 USER MOD Single : A 72 MET CE :methyl -171:sc= 0 (180deg=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.168 -16.115 3.695 1.00 0.00 N ATOM 2 CA ALA A 1 -24.104 -16.049 2.579 1.00 0.00 C ATOM 3 C ALA A 1 -24.764 -14.676 2.498 1.00 0.00 C ATOM 4 O ALA A 1 -25.076 -14.190 1.410 1.00 0.00 O ATOM 5 CB ALA A 1 -25.159 -17.137 2.710 1.00 0.00 C ATOM 0 H1 ALA A 1 -22.576 -16.965 3.602 1.00 0.00 H new ATOM 0 H2 ALA A 1 -22.563 -15.269 3.691 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.697 -16.158 4.590 1.00 0.00 H new ATOM 0 HA ALA A 1 -23.545 -16.210 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -25.851 -17.076 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -24.676 -18.114 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -25.707 -17.002 3.642 1.00 0.00 H new ATOM 11 N LEU A 2 -24.974 -14.057 3.654 1.00 0.00 N ATOM 12 CA LEU A 2 -25.598 -12.740 3.714 1.00 0.00 C ATOM 13 C LEU A 2 -24.954 -11.880 4.796 1.00 0.00 C ATOM 14 O LEU A 2 -25.424 -11.840 5.932 1.00 0.00 O ATOM 15 CB LEU A 2 -27.099 -12.876 3.981 1.00 0.00 C ATOM 16 CG LEU A 2 -27.842 -11.581 4.311 1.00 0.00 C ATOM 17 CD1 LEU A 2 -27.471 -10.486 3.323 1.00 0.00 C ATOM 18 CD2 LEU A 2 -29.345 -11.814 4.312 1.00 0.00 C ATOM 0 H LEU A 2 -24.721 -14.446 4.563 1.00 0.00 H new ATOM 0 HA LEU A 2 -25.449 -12.251 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -27.565 -13.325 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -27.239 -13.572 4.808 1.00 0.00 H new ATOM 0 HG LEU A 2 -27.544 -11.258 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -28.009 -9.572 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -26.398 -10.300 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -27.739 -10.800 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -29.858 -10.882 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -29.660 -12.162 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -29.596 -12.566 5.060 1.00 0.00 H new ATOM 30 N ASP A 3 -23.876 -11.192 4.435 1.00 0.00 N ATOM 31 CA ASP A 3 -23.168 -10.331 5.374 1.00 0.00 C ATOM 32 C ASP A 3 -22.406 -9.234 4.637 1.00 0.00 C ATOM 33 O ASP A 3 -21.933 -9.418 3.515 1.00 0.00 O ATOM 34 CB ASP A 3 -22.202 -11.154 6.226 1.00 0.00 C ATOM 35 CG ASP A 3 -22.850 -11.677 7.494 1.00 0.00 C ATOM 36 OD1 ASP A 3 -22.970 -10.901 8.464 1.00 0.00 O ATOM 37 OD2 ASP A 3 -23.239 -12.864 7.514 1.00 0.00 O ATOM 0 H ASP A 3 -23.474 -11.214 3.498 1.00 0.00 H new ATOM 0 HA ASP A 3 -23.906 -9.862 6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.829 -11.993 5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.340 -10.540 6.488 1.00 0.00 H new ATOM 42 N PRO A 4 -22.285 -8.062 5.279 1.00 0.00 N ATOM 43 CA PRO A 4 -21.582 -6.912 4.704 1.00 0.00 C ATOM 44 C PRO A 4 -20.076 -7.135 4.621 1.00 0.00 C ATOM 45 O PRO A 4 -19.307 -6.542 5.378 1.00 0.00 O ATOM 46 CB PRO A 4 -21.902 -5.776 5.679 1.00 0.00 C ATOM 47 CG PRO A 4 -22.185 -6.456 6.973 1.00 0.00 C ATOM 48 CD PRO A 4 -22.824 -7.771 6.619 1.00 0.00 C ATOM 0 HA PRO A 4 -21.896 -6.713 3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.064 -5.085 5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -22.760 -5.194 5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -21.268 -6.608 7.542 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.849 -5.854 7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -22.563 -8.550 7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.912 -7.699 6.608 1.00 0.00 H new ATOM 56 N LEU A 5 -19.660 -7.993 3.696 1.00 0.00 N ATOM 57 CA LEU A 5 -18.244 -8.294 3.514 1.00 0.00 C ATOM 58 C LEU A 5 -17.754 -7.807 2.154 1.00 0.00 C ATOM 59 O LEU A 5 -18.550 -7.423 1.296 1.00 0.00 O ATOM 60 CB LEU A 5 -18.000 -9.799 3.648 1.00 0.00 C ATOM 61 CG LEU A 5 -18.935 -10.547 4.598 1.00 0.00 C ATOM 62 CD1 LEU A 5 -19.228 -11.943 4.068 1.00 0.00 C ATOM 63 CD2 LEU A 5 -18.331 -10.621 5.992 1.00 0.00 C ATOM 0 H LEU A 5 -20.282 -8.492 3.061 1.00 0.00 H new ATOM 0 HA LEU A 5 -17.685 -7.771 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -18.082 -10.250 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.974 -9.952 3.984 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.875 -9.998 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -19.895 -12.461 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -19.703 -11.869 3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.296 -12.501 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.010 -11.157 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.377 -11.147 5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -18.172 -9.612 6.374 1.00 0.00 H new ATOM 75 N VAL A 6 -16.439 -7.827 1.962 1.00 0.00 N ATOM 76 CA VAL A 6 -15.843 -7.391 0.705 1.00 0.00 C ATOM 77 C VAL A 6 -15.773 -5.870 0.628 1.00 0.00 C ATOM 78 O VAL A 6 -16.717 -5.217 0.185 1.00 0.00 O ATOM 79 CB VAL A 6 -16.636 -7.920 -0.505 1.00 0.00 C ATOM 80 CG1 VAL A 6 -15.798 -7.835 -1.772 1.00 0.00 C ATOM 81 CG2 VAL A 6 -17.099 -9.348 -0.257 1.00 0.00 C ATOM 0 H VAL A 6 -15.766 -8.141 2.661 1.00 0.00 H new ATOM 0 HA VAL A 6 -14.833 -7.800 0.675 1.00 0.00 H new ATOM 0 HB VAL A 6 -17.519 -7.295 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -16.375 -8.213 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.522 -6.797 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.895 -8.434 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -17.657 -9.705 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.232 -9.989 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -17.740 -9.375 0.624 1.00 0.00 H new ATOM 91 N SER A 7 -14.647 -5.313 1.064 1.00 0.00 N ATOM 92 CA SER A 7 -14.455 -3.867 1.048 1.00 0.00 C ATOM 93 C SER A 7 -13.165 -3.499 0.321 1.00 0.00 C ATOM 94 O SER A 7 -13.173 -3.209 -0.876 1.00 0.00 O ATOM 95 CB SER A 7 -14.424 -3.320 2.475 1.00 0.00 C ATOM 96 OG SER A 7 -15.712 -2.894 2.887 1.00 0.00 O ATOM 0 H SER A 7 -13.855 -5.840 1.432 1.00 0.00 H new ATOM 0 HA SER A 7 -15.293 -3.419 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.057 -4.089 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.726 -2.485 2.532 1.00 0.00 H new ATOM 0 HG SER A 7 -15.665 -2.550 3.804 1.00 0.00 H new ATOM 102 N CYS A 8 -12.056 -3.514 1.054 1.00 0.00 N ATOM 103 CA CYS A 8 -10.757 -3.182 0.482 1.00 0.00 C ATOM 104 C CYS A 8 -10.657 -3.668 -0.961 1.00 0.00 C ATOM 105 O CYS A 8 -11.306 -4.641 -1.347 1.00 0.00 O ATOM 106 CB CYS A 8 -9.636 -3.800 1.319 1.00 0.00 C ATOM 107 SG CYS A 8 -7.984 -3.114 0.972 1.00 0.00 S ATOM 0 H CYS A 8 -12.032 -3.753 2.045 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.651 -2.097 0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.863 -3.655 2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.616 -4.875 1.142 1.00 0.00 H new ATOM 112 N LYS A 9 -9.839 -2.984 -1.755 1.00 0.00 N ATOM 113 CA LYS A 9 -9.651 -3.347 -3.154 1.00 0.00 C ATOM 114 C LYS A 9 -8.176 -3.582 -3.462 1.00 0.00 C ATOM 115 O LYS A 9 -7.829 -4.118 -4.516 1.00 0.00 O ATOM 116 CB LYS A 9 -10.204 -2.247 -4.064 1.00 0.00 C ATOM 117 CG LYS A 9 -11.463 -1.588 -3.527 1.00 0.00 C ATOM 118 CD LYS A 9 -11.738 -0.264 -4.220 1.00 0.00 C ATOM 119 CE LYS A 9 -12.825 0.524 -3.505 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.118 -0.216 -3.475 1.00 0.00 N ATOM 0 H LYS A 9 -9.296 -2.175 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.194 -4.273 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.438 -1.485 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.417 -2.672 -5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.313 -2.256 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.360 -1.424 -2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.822 0.326 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.039 -0.448 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.506 0.740 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.967 1.483 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.854 0.388 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.393 -0.474 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.011 -1.079 -2.904 1.00 0.00 H new ATOM 134 N LEU A 10 -7.312 -3.181 -2.537 1.00 0.00 N ATOM 135 CA LEU A 10 -5.873 -3.351 -2.708 1.00 0.00 C ATOM 136 C LEU A 10 -5.474 -4.814 -2.548 1.00 0.00 C ATOM 137 O LEU A 10 -4.564 -5.298 -3.221 1.00 0.00 O ATOM 138 CB LEU A 10 -5.114 -2.489 -1.698 1.00 0.00 C ATOM 139 CG LEU A 10 -5.161 -0.978 -1.934 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.864 -0.227 -0.646 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.179 -0.578 -3.025 1.00 0.00 C ATOM 0 H LEU A 10 -7.582 -2.736 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.612 -3.032 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.512 -2.694 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.070 -2.803 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.166 -0.712 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.902 0.846 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.606 -0.490 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.871 -0.498 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.226 0.500 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.169 -0.858 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.438 -1.089 -3.952 1.00 0.00 H new ATOM 153 N CYS A 11 -6.162 -5.514 -1.652 1.00 0.00 N ATOM 154 CA CYS A 11 -5.881 -6.922 -1.403 1.00 0.00 C ATOM 155 C CYS A 11 -7.159 -7.753 -1.476 1.00 0.00 C ATOM 156 O CYS A 11 -7.121 -8.981 -1.385 1.00 0.00 O ATOM 157 CB CYS A 11 -5.224 -7.099 -0.032 1.00 0.00 C ATOM 158 SG CYS A 11 -6.323 -6.732 1.372 1.00 0.00 S ATOM 0 H CYS A 11 -6.918 -5.128 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.196 -7.271 -2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.867 -8.125 0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.349 -6.451 0.026 1.00 0.00 H new ATOM 163 N LEU A 12 -8.289 -7.075 -1.644 1.00 0.00 N ATOM 164 CA LEU A 12 -9.580 -7.750 -1.731 1.00 0.00 C ATOM 165 C LEU A 12 -9.666 -8.891 -0.723 1.00 0.00 C ATOM 166 O LEU A 12 -9.662 -10.064 -1.095 1.00 0.00 O ATOM 167 CB LEU A 12 -9.803 -8.286 -3.146 1.00 0.00 C ATOM 168 CG LEU A 12 -10.221 -7.256 -4.196 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.250 -7.263 -5.366 1.00 0.00 C ATOM 170 CD2 LEU A 12 -11.639 -7.529 -4.675 1.00 0.00 C ATOM 0 H LEU A 12 -8.338 -6.059 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.359 -7.024 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.882 -8.764 -3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.567 -9.062 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.198 -6.267 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.563 -6.524 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.249 -7.019 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.240 -8.252 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.920 -6.786 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.689 -8.524 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.326 -7.472 -3.830 1.00 0.00 H new ATOM 182 N GLY A 13 -9.748 -8.539 0.557 1.00 0.00 N ATOM 183 CA GLY A 13 -9.837 -9.545 1.600 1.00 0.00 C ATOM 184 C GLY A 13 -11.008 -9.311 2.532 1.00 0.00 C ATOM 185 O GLY A 13 -11.046 -9.850 3.638 1.00 0.00 O ATOM 0 H GLY A 13 -9.754 -7.575 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.931 -10.530 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.912 -9.548 2.177 1.00 0.00 H new ATOM 189 N GLU A 14 -11.965 -8.502 2.088 1.00 0.00 N ATOM 190 CA GLU A 14 -13.141 -8.196 2.894 1.00 0.00 C ATOM 191 C GLU A 14 -12.746 -7.476 4.180 1.00 0.00 C ATOM 192 O GLU A 14 -12.607 -6.253 4.202 1.00 0.00 O ATOM 193 CB GLU A 14 -13.906 -9.479 3.227 1.00 0.00 C ATOM 194 CG GLU A 14 -14.593 -10.107 2.027 1.00 0.00 C ATOM 195 CD GLU A 14 -14.340 -11.600 1.925 1.00 0.00 C ATOM 196 OE1 GLU A 14 -14.391 -12.133 0.798 1.00 0.00 O ATOM 197 OE2 GLU A 14 -14.091 -12.232 2.973 1.00 0.00 O ATOM 0 H GLU A 14 -11.949 -8.047 1.175 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.787 -7.537 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.214 -10.203 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.654 -9.259 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.666 -9.928 2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.243 -9.620 1.117 1.00 0.00 H new ATOM 204 N TYR A 15 -12.569 -8.244 5.249 1.00 0.00 N ATOM 205 CA TYR A 15 -12.195 -7.681 6.541 1.00 0.00 C ATOM 206 C TYR A 15 -13.360 -6.915 7.161 1.00 0.00 C ATOM 207 O TYR A 15 -14.232 -6.392 6.467 1.00 0.00 O ATOM 208 CB TYR A 15 -10.987 -6.754 6.386 1.00 0.00 C ATOM 209 CG TYR A 15 -9.876 -7.344 5.547 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.748 -7.020 4.201 1.00 0.00 C ATOM 211 CD2 TYR A 15 -8.955 -8.226 6.100 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.734 -7.557 3.432 1.00 0.00 C ATOM 213 CE2 TYR A 15 -7.938 -8.766 5.337 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.832 -8.429 4.003 1.00 0.00 C ATOM 215 OH TYR A 15 -6.821 -8.967 3.240 1.00 0.00 O ATOM 0 H TYR A 15 -12.678 -9.258 5.247 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.932 -8.505 7.204 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.314 -5.817 5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.596 -6.512 7.374 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.453 -6.337 3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.036 -8.493 7.143 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.648 -7.295 2.388 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.229 -9.449 5.782 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.295 -8.245 2.838 1.00 0.00 H new ATOM 225 N PRO A 16 -13.376 -6.847 8.500 1.00 0.00 N ATOM 226 CA PRO A 16 -14.428 -6.147 9.244 1.00 0.00 C ATOM 227 C PRO A 16 -14.351 -4.634 9.071 1.00 0.00 C ATOM 228 O PRO A 16 -13.625 -4.133 8.213 1.00 0.00 O ATOM 229 CB PRO A 16 -14.149 -6.533 10.699 1.00 0.00 C ATOM 230 CG PRO A 16 -12.695 -6.854 10.734 1.00 0.00 C ATOM 231 CD PRO A 16 -12.369 -7.447 9.391 1.00 0.00 C ATOM 0 HA PRO A 16 -15.424 -6.423 8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.390 -5.716 11.379 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -14.751 -7.389 11.004 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.102 -5.958 10.919 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.470 -7.557 11.536 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.355 -7.198 9.077 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.441 -8.535 9.404 1.00 0.00 H new ATOM 239 N VAL A 17 -15.107 -3.910 9.891 1.00 0.00 N ATOM 240 CA VAL A 17 -15.124 -2.453 9.829 1.00 0.00 C ATOM 241 C VAL A 17 -14.135 -1.850 10.819 1.00 0.00 C ATOM 242 O VAL A 17 -13.704 -0.708 10.663 1.00 0.00 O ATOM 243 CB VAL A 17 -16.530 -1.896 10.120 1.00 0.00 C ATOM 244 CG1 VAL A 17 -16.451 -0.727 11.091 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.215 -1.480 8.827 1.00 0.00 C ATOM 0 H VAL A 17 -15.716 -4.309 10.606 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.834 -2.175 8.816 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.125 -2.683 10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.454 -0.346 11.285 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.003 -1.061 12.027 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -15.840 0.065 10.658 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.207 -1.089 9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.623 -0.709 8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.306 -2.344 8.169 1.00 0.00 H new ATOM 255 N GLU A 18 -13.778 -2.625 11.839 1.00 0.00 N ATOM 256 CA GLU A 18 -12.840 -2.165 12.856 1.00 0.00 C ATOM 257 C GLU A 18 -11.400 -2.447 12.434 1.00 0.00 C ATOM 258 O GLU A 18 -10.466 -2.245 13.208 1.00 0.00 O ATOM 259 CB GLU A 18 -13.132 -2.844 14.196 1.00 0.00 C ATOM 260 CG GLU A 18 -14.512 -3.474 14.270 1.00 0.00 C ATOM 261 CD GLU A 18 -15.048 -3.540 15.687 1.00 0.00 C ATOM 262 OE1 GLU A 18 -15.985 -4.329 15.930 1.00 0.00 O ATOM 263 OE2 GLU A 18 -14.531 -2.802 16.552 1.00 0.00 O ATOM 0 H GLU A 18 -14.124 -3.574 11.983 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.964 -1.088 12.968 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.381 -3.613 14.376 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.034 -2.109 14.995 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.202 -2.901 13.651 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.471 -4.481 13.854 1.00 0.00 H new ATOM 270 N GLN A 19 -11.232 -2.916 11.202 1.00 0.00 N ATOM 271 CA GLN A 19 -9.907 -3.226 10.678 1.00 0.00 C ATOM 272 C GLN A 19 -9.563 -2.326 9.497 1.00 0.00 C ATOM 273 O GLN A 19 -8.442 -2.350 8.990 1.00 0.00 O ATOM 274 CB GLN A 19 -9.836 -4.695 10.253 1.00 0.00 C ATOM 275 CG GLN A 19 -9.578 -5.650 11.406 1.00 0.00 C ATOM 276 CD GLN A 19 -9.377 -7.081 10.945 1.00 0.00 C ATOM 277 OE1 GLN A 19 -10.035 -8.000 11.432 1.00 0.00 O ATOM 278 NE2 GLN A 19 -8.462 -7.275 10.002 1.00 0.00 N ATOM 0 H GLN A 19 -11.996 -3.090 10.549 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.180 -3.047 11.470 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.772 -4.970 9.767 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.046 -4.812 9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.695 -5.322 11.954 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.417 -5.610 12.100 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.940 -6.483 9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.281 -8.216 9.653 1.00 0.00 H new ATOM 287 N MET A 20 -10.536 -1.531 9.062 1.00 0.00 N ATOM 288 CA MET A 20 -10.336 -0.622 7.940 1.00 0.00 C ATOM 289 C MET A 20 -10.304 0.828 8.415 1.00 0.00 C ATOM 290 O MET A 20 -10.661 1.127 9.554 1.00 0.00 O ATOM 291 CB MET A 20 -11.444 -0.806 6.902 1.00 0.00 C ATOM 292 CG MET A 20 -12.280 -2.056 7.120 1.00 0.00 C ATOM 293 SD MET A 20 -12.938 -2.729 5.583 1.00 0.00 S ATOM 294 CE MET A 20 -11.429 -2.983 4.651 1.00 0.00 C ATOM 0 H MET A 20 -11.470 -1.498 9.470 1.00 0.00 H new ATOM 0 HA MET A 20 -9.376 -0.858 7.481 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.098 0.066 6.922 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.997 -0.847 5.909 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.671 -2.814 7.613 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.105 -1.823 7.793 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.486 -3.932 4.117 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.303 -2.171 3.935 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.579 -3.001 5.333 1.00 0.00 H new ATOM 304 N THR A 21 -9.873 1.726 7.534 1.00 0.00 N ATOM 305 CA THR A 21 -9.793 3.143 7.864 1.00 0.00 C ATOM 306 C THR A 21 -10.230 4.006 6.686 1.00 0.00 C ATOM 307 O THR A 21 -10.035 3.641 5.527 1.00 0.00 O ATOM 308 CB THR A 21 -8.364 3.544 8.277 1.00 0.00 C ATOM 309 OG1 THR A 21 -8.060 3.010 9.570 1.00 0.00 O ATOM 310 CG2 THR A 21 -8.212 5.057 8.298 1.00 0.00 C ATOM 0 H THR A 21 -9.574 1.496 6.586 1.00 0.00 H new ATOM 0 HA THR A 21 -10.466 3.311 8.704 1.00 0.00 H new ATOM 0 HB THR A 21 -7.669 3.135 7.544 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.149 3.268 9.825 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.195 5.316 8.592 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.415 5.457 7.305 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.916 5.484 9.012 1.00 0.00 H new ATOM 318 N THR A 22 -10.824 5.157 6.990 1.00 0.00 N ATOM 319 CA THR A 22 -11.289 6.073 5.957 1.00 0.00 C ATOM 320 C THR A 22 -10.133 6.871 5.367 1.00 0.00 C ATOM 321 O THR A 22 -9.130 7.117 6.038 1.00 0.00 O ATOM 322 CB THR A 22 -12.345 7.051 6.507 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.473 6.324 7.007 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.798 8.021 5.428 1.00 0.00 C ATOM 0 H THR A 22 -10.994 5.476 7.944 1.00 0.00 H new ATOM 0 HA THR A 22 -11.741 5.463 5.175 1.00 0.00 H new ATOM 0 HB THR A 22 -11.892 7.621 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.139 6.953 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.543 8.701 5.840 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.942 8.594 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.234 7.465 4.598 1.00 0.00 H new ATOM 332 N ILE A 23 -10.277 7.273 4.109 1.00 0.00 N ATOM 333 CA ILE A 23 -9.245 8.045 3.430 1.00 0.00 C ATOM 334 C ILE A 23 -9.094 9.429 4.052 1.00 0.00 C ATOM 335 O ILE A 23 -8.263 9.636 4.936 1.00 0.00 O ATOM 336 CB ILE A 23 -9.552 8.201 1.929 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.438 6.849 1.220 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.612 9.217 1.298 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.049 6.253 1.275 1.00 0.00 C ATOM 0 H ILE A 23 -11.100 7.076 3.539 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.312 7.493 3.546 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.574 8.564 1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.142 6.151 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.732 6.969 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.842 9.316 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.738 10.183 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.582 8.882 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.043 5.296 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.343 6.932 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.759 6.101 2.315 1.00 0.00 H new ATOM 351 N ALA A 24 -9.906 10.372 3.587 1.00 0.00 N ATOM 352 CA ALA A 24 -9.866 11.737 4.101 1.00 0.00 C ATOM 353 C ALA A 24 -10.547 12.705 3.140 1.00 0.00 C ATOM 354 O ALA A 24 -10.956 13.797 3.533 1.00 0.00 O ATOM 355 CB ALA A 24 -8.427 12.163 4.353 1.00 0.00 C ATOM 0 H ALA A 24 -10.600 10.217 2.855 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.411 11.761 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.411 13.183 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.972 11.494 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.865 12.117 3.420 1.00 0.00 H new ATOM 361 N GLN A 25 -10.663 12.297 1.880 1.00 0.00 N ATOM 362 CA GLN A 25 -11.294 13.132 0.864 1.00 0.00 C ATOM 363 C GLN A 25 -12.427 12.382 0.170 1.00 0.00 C ATOM 364 O GLN A 25 -13.571 12.837 0.160 1.00 0.00 O ATOM 365 CB GLN A 25 -10.259 13.584 -0.168 1.00 0.00 C ATOM 366 CG GLN A 25 -9.807 15.023 0.015 1.00 0.00 C ATOM 367 CD GLN A 25 -9.164 15.265 1.367 1.00 0.00 C ATOM 368 OE1 GLN A 25 -9.619 16.301 2.063 1.00 0.00 O flip ATOM 369 NE2 GLN A 25 -8.268 14.529 1.782 1.00 0.00 N flip ATOM 0 H GLN A 25 -10.329 11.396 1.539 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.712 14.009 1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.390 12.929 -0.110 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.679 13.468 -1.167 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.098 15.280 -0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.664 15.687 -0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.949 13.744 1.214 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.845 14.704 2.694 1.00 0.00 H new ATOM 378 N CYS A 26 -12.101 11.230 -0.408 1.00 0.00 N ATOM 379 CA CYS A 26 -13.091 10.418 -1.105 1.00 0.00 C ATOM 380 C CYS A 26 -13.887 9.567 -0.120 1.00 0.00 C ATOM 381 O CYS A 26 -14.951 9.046 -0.453 1.00 0.00 O ATOM 382 CB CYS A 26 -12.406 9.517 -2.136 1.00 0.00 C ATOM 383 SG CYS A 26 -11.108 8.444 -1.441 1.00 0.00 S ATOM 0 H CYS A 26 -11.159 10.838 -0.407 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.780 11.089 -1.618 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.160 8.893 -2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.968 10.142 -2.914 1.00 0.00 H new ATOM 388 N GLN A 27 -13.364 9.432 1.095 1.00 0.00 N ATOM 389 CA GLN A 27 -14.025 8.644 2.128 1.00 0.00 C ATOM 390 C GLN A 27 -14.141 7.183 1.708 1.00 0.00 C ATOM 391 O GLN A 27 -15.232 6.612 1.707 1.00 0.00 O ATOM 392 CB GLN A 27 -15.413 9.215 2.422 1.00 0.00 C ATOM 393 CG GLN A 27 -15.382 10.529 3.185 1.00 0.00 C ATOM 394 CD GLN A 27 -15.242 10.332 4.682 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.023 9.608 5.300 1.00 0.00 O ATOM 396 NE2 GLN A 27 -14.243 10.977 5.274 1.00 0.00 N ATOM 0 H GLN A 27 -12.485 9.858 1.388 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.419 8.695 3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.942 9.364 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.983 8.485 2.996 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.552 11.135 2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.296 11.086 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.619 11.567 4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.100 10.882 6.279 1.00 0.00 H new ATOM 405 N CYS A 28 -13.011 6.583 1.351 1.00 0.00 N ATOM 406 CA CYS A 28 -12.986 5.189 0.927 1.00 0.00 C ATOM 407 C CYS A 28 -12.621 4.273 2.093 1.00 0.00 C ATOM 408 O CYS A 28 -12.400 4.735 3.212 1.00 0.00 O ATOM 409 CB CYS A 28 -11.986 4.999 -0.216 1.00 0.00 C ATOM 410 SG CYS A 28 -12.570 5.624 -1.825 1.00 0.00 S ATOM 0 H CYS A 28 -12.100 7.041 1.347 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.983 4.924 0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.055 5.504 0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.757 3.938 -0.312 1.00 0.00 H new ATOM 415 N ILE A 29 -12.559 2.974 1.820 1.00 0.00 N ATOM 416 CA ILE A 29 -12.220 1.995 2.845 1.00 0.00 C ATOM 417 C ILE A 29 -11.032 1.140 2.417 1.00 0.00 C ATOM 418 O ILE A 29 -11.008 0.602 1.309 1.00 0.00 O ATOM 419 CB ILE A 29 -13.414 1.074 3.160 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.346 0.593 4.611 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.437 -0.110 2.205 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.151 1.444 5.568 1.00 0.00 C ATOM 0 H ILE A 29 -12.739 2.576 0.898 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.957 2.555 3.742 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.336 1.641 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.705 -0.435 4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.305 0.583 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.286 -0.751 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.528 0.251 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.513 -0.679 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.057 1.045 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.778 2.468 5.546 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.200 1.434 5.270 1.00 0.00 H new ATOM 434 N PHE A 30 -10.049 1.016 3.302 1.00 0.00 N ATOM 435 CA PHE A 30 -8.858 0.226 3.017 1.00 0.00 C ATOM 436 C PHE A 30 -8.237 -0.308 4.304 1.00 0.00 C ATOM 437 O PHE A 30 -7.986 0.446 5.245 1.00 0.00 O ATOM 438 CB PHE A 30 -7.832 1.066 2.254 1.00 0.00 C ATOM 439 CG PHE A 30 -8.308 1.509 0.899 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.838 2.776 0.717 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.225 0.659 -0.191 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.277 3.187 -0.528 1.00 0.00 C ATOM 443 CE2 PHE A 30 -8.662 1.063 -1.438 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.190 2.329 -1.606 1.00 0.00 C ATOM 0 H PHE A 30 -10.054 1.453 4.224 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.156 -0.621 2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.581 1.945 2.847 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.915 0.488 2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.909 3.451 1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.814 -0.332 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.687 4.178 -0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.591 0.390 -2.280 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.534 2.647 -2.579 1.00 0.00 H new ATOM 454 N CYS A 31 -7.994 -1.614 4.340 1.00 0.00 N ATOM 455 CA CYS A 31 -7.404 -2.250 5.512 1.00 0.00 C ATOM 456 C CYS A 31 -6.069 -1.604 5.868 1.00 0.00 C ATOM 457 O CYS A 31 -5.202 -1.427 5.010 1.00 0.00 O ATOM 458 CB CYS A 31 -7.208 -3.747 5.260 1.00 0.00 C ATOM 459 SG CYS A 31 -5.805 -4.139 4.166 1.00 0.00 S ATOM 0 H CYS A 31 -8.197 -2.253 3.571 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.087 -2.115 6.351 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.061 -4.249 6.216 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.120 -4.154 4.823 1.00 0.00 H new ATOM 464 N THR A 32 -5.907 -1.253 7.140 1.00 0.00 N ATOM 465 CA THR A 32 -4.679 -0.626 7.611 1.00 0.00 C ATOM 466 C THR A 32 -3.466 -1.159 6.857 1.00 0.00 C ATOM 467 O THR A 32 -2.674 -0.389 6.310 1.00 0.00 O ATOM 468 CB THR A 32 -4.473 -0.855 9.119 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.686 -0.578 9.828 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.355 0.028 9.653 1.00 0.00 C ATOM 0 H THR A 32 -6.613 -1.393 7.863 1.00 0.00 H new ATOM 0 HA THR A 32 -4.779 0.443 7.425 1.00 0.00 H new ATOM 0 HB THR A 32 -4.195 -1.898 9.270 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.546 -0.728 10.786 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.228 -0.151 10.721 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.426 -0.206 9.133 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.609 1.075 9.489 1.00 0.00 H new ATOM 478 N LEU A 33 -3.326 -2.479 6.830 1.00 0.00 N ATOM 479 CA LEU A 33 -2.208 -3.116 6.141 1.00 0.00 C ATOM 480 C LEU A 33 -1.876 -2.382 4.846 1.00 0.00 C ATOM 481 O LEU A 33 -0.825 -1.752 4.728 1.00 0.00 O ATOM 482 CB LEU A 33 -2.535 -4.580 5.842 1.00 0.00 C ATOM 483 CG LEU A 33 -1.833 -5.617 6.718 1.00 0.00 C ATOM 484 CD1 LEU A 33 -2.844 -6.374 7.566 1.00 0.00 C ATOM 485 CD2 LEU A 33 -1.026 -6.582 5.861 1.00 0.00 C ATOM 0 H LEU A 33 -3.972 -3.130 7.277 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.337 -3.071 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.612 -4.719 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.283 -4.782 4.801 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.148 -5.094 7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.325 -7.108 8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.378 -5.673 8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.555 -6.884 6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.533 -7.313 6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.691 -7.097 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.275 -6.028 5.298 1.00 0.00 H new ATOM 497 N CYS A 34 -2.781 -2.465 3.877 1.00 0.00 N ATOM 498 CA CYS A 34 -2.588 -1.807 2.590 1.00 0.00 C ATOM 499 C CYS A 34 -2.462 -0.297 2.765 1.00 0.00 C ATOM 500 O CYS A 34 -1.412 0.285 2.491 1.00 0.00 O ATOM 501 CB CYS A 34 -3.751 -2.128 1.649 1.00 0.00 C ATOM 502 SG CYS A 34 -4.095 -3.908 1.472 1.00 0.00 S ATOM 0 H CYS A 34 -3.656 -2.982 3.959 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.663 -2.183 2.153 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.649 -1.630 2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.534 -1.711 0.665 1.00 0.00 H new ATOM 507 N LEU A 35 -3.539 0.332 3.223 1.00 0.00 N ATOM 508 CA LEU A 35 -3.550 1.775 3.435 1.00 0.00 C ATOM 509 C LEU A 35 -2.277 2.231 4.141 1.00 0.00 C ATOM 510 O LEU A 35 -1.897 3.400 4.066 1.00 0.00 O ATOM 511 CB LEU A 35 -4.775 2.180 4.256 1.00 0.00 C ATOM 512 CG LEU A 35 -5.209 3.641 4.138 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.351 4.040 2.677 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.514 3.873 4.884 1.00 0.00 C ATOM 0 H LEU A 35 -4.416 -0.135 3.455 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.597 2.261 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.612 1.548 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.571 1.966 5.305 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.439 4.265 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.661 5.083 2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.394 3.914 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.100 3.409 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.807 4.919 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.293 3.238 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.379 3.629 5.938 1.00 0.00 H new ATOM 526 N LYS A 36 -1.621 1.301 4.825 1.00 0.00 N ATOM 527 CA LYS A 36 -0.387 1.606 5.543 1.00 0.00 C ATOM 528 C LYS A 36 0.829 1.394 4.647 1.00 0.00 C ATOM 529 O LYS A 36 1.478 2.354 4.231 1.00 0.00 O ATOM 530 CB LYS A 36 -0.272 0.730 6.793 1.00 0.00 C ATOM 531 CG LYS A 36 1.102 0.774 7.441 1.00 0.00 C ATOM 532 CD LYS A 36 1.914 -0.468 7.111 1.00 0.00 C ATOM 533 CE LYS A 36 2.238 -1.269 8.362 1.00 0.00 C ATOM 534 NZ LYS A 36 3.319 -2.263 8.119 1.00 0.00 N ATOM 0 H LYS A 36 -1.922 0.329 4.898 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.418 2.654 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.018 1.049 7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.507 -0.301 6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.637 1.661 7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.993 0.862 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.358 -1.092 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.839 -0.178 6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.541 -0.590 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.341 -1.784 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.511 -2.789 8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.020 -2.926 7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.183 -1.769 7.816 1.00 0.00 H new ATOM 548 N GLN A 37 1.131 0.134 4.353 1.00 0.00 N ATOM 549 CA GLN A 37 2.269 -0.202 3.507 1.00 0.00 C ATOM 550 C GLN A 37 2.325 0.709 2.285 1.00 0.00 C ATOM 551 O GLN A 37 3.379 0.873 1.668 1.00 0.00 O ATOM 552 CB GLN A 37 2.190 -1.664 3.065 1.00 0.00 C ATOM 553 CG GLN A 37 3.513 -2.405 3.173 1.00 0.00 C ATOM 554 CD GLN A 37 3.332 -3.893 3.392 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.829 -4.712 2.618 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.617 -4.253 4.451 1.00 0.00 N ATOM 0 H GLN A 37 0.603 -0.672 4.689 1.00 0.00 H new ATOM 0 HA GLN A 37 3.179 -0.056 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.445 -2.178 3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.844 -1.704 2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.091 -2.243 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.092 -1.988 3.997 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.223 -3.541 5.066 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.461 -5.241 4.649 1.00 0.00 H new ATOM 565 N TYR A 38 1.186 1.299 1.940 1.00 0.00 N ATOM 566 CA TYR A 38 1.105 2.191 0.790 1.00 0.00 C ATOM 567 C TYR A 38 1.571 3.597 1.156 1.00 0.00 C ATOM 568 O TYR A 38 2.489 4.140 0.541 1.00 0.00 O ATOM 569 CB TYR A 38 -0.327 2.240 0.256 1.00 0.00 C ATOM 570 CG TYR A 38 -0.789 3.632 -0.114 1.00 0.00 C ATOM 571 CD1 TYR A 38 0.018 4.474 -0.870 1.00 0.00 C ATOM 572 CD2 TYR A 38 -2.029 4.105 0.293 1.00 0.00 C ATOM 573 CE1 TYR A 38 -0.399 5.747 -1.209 1.00 0.00 C ATOM 574 CE2 TYR A 38 -2.455 5.376 -0.043 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.637 6.193 -0.794 1.00 0.00 C ATOM 576 OH TYR A 38 -2.056 7.460 -1.130 1.00 0.00 O ATOM 0 H TYR A 38 0.306 1.175 2.441 1.00 0.00 H new ATOM 0 HA TYR A 38 1.763 1.801 0.013 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.401 1.597 -0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.001 1.831 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.987 4.128 -1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.672 3.469 0.883 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.241 6.390 -1.796 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.423 5.727 0.281 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.255 7.495 -2.089 1.00 0.00 H new ATOM 586 N VAL A 39 0.932 4.182 2.165 1.00 0.00 N ATOM 587 CA VAL A 39 1.281 5.523 2.617 1.00 0.00 C ATOM 588 C VAL A 39 2.589 5.516 3.399 1.00 0.00 C ATOM 589 O VAL A 39 3.501 6.290 3.108 1.00 0.00 O ATOM 590 CB VAL A 39 0.171 6.124 3.499 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.159 6.122 2.760 1.00 0.00 C ATOM 592 CG2 VAL A 39 0.063 5.363 4.812 1.00 0.00 C ATOM 0 H VAL A 39 0.170 3.747 2.685 1.00 0.00 H new ATOM 0 HA VAL A 39 1.398 6.138 1.725 1.00 0.00 H new ATOM 0 HB VAL A 39 0.431 7.158 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.931 6.550 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.071 6.716 1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.430 5.098 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.726 5.801 5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.173 4.318 4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.011 5.423 5.346 1.00 0.00 H new ATOM 602 N GLU A 40 2.674 4.637 4.392 1.00 0.00 N ATOM 603 CA GLU A 40 3.872 4.531 5.217 1.00 0.00 C ATOM 604 C GLU A 40 5.131 4.702 4.371 1.00 0.00 C ATOM 605 O GLU A 40 6.155 5.190 4.853 1.00 0.00 O ATOM 606 CB GLU A 40 3.906 3.179 5.934 1.00 0.00 C ATOM 607 CG GLU A 40 4.240 3.284 7.413 1.00 0.00 C ATOM 608 CD GLU A 40 5.700 3.001 7.703 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.518 3.082 6.763 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.026 2.698 8.870 1.00 0.00 O ATOM 0 H GLU A 40 1.928 3.988 4.645 1.00 0.00 H new ATOM 0 HA GLU A 40 3.843 5.328 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.937 2.693 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.642 2.538 5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.990 4.284 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.620 2.583 7.972 1.00 0.00 H new ATOM 617 N LEU A 41 5.049 4.295 3.110 1.00 0.00 N ATOM 618 CA LEU A 41 6.181 4.402 2.196 1.00 0.00 C ATOM 619 C LEU A 41 6.248 5.792 1.572 1.00 0.00 C ATOM 620 O LEU A 41 7.331 6.354 1.397 1.00 0.00 O ATOM 621 CB LEU A 41 6.079 3.342 1.098 1.00 0.00 C ATOM 622 CG LEU A 41 6.777 2.011 1.381 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.202 2.247 1.858 1.00 0.00 C ATOM 624 CD2 LEU A 41 5.995 1.207 2.411 1.00 0.00 C ATOM 0 H LEU A 41 4.210 3.888 2.696 1.00 0.00 H new ATOM 0 HA LEU A 41 7.094 4.236 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.024 3.143 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.493 3.758 0.180 1.00 0.00 H new ATOM 0 HG LEU A 41 6.815 1.438 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.683 1.289 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.759 2.782 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.186 2.839 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.506 0.263 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.926 1.774 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.993 1.007 2.032 1.00 0.00 H new ATOM 636 N LEU A 42 5.085 6.342 1.240 1.00 0.00 N ATOM 637 CA LEU A 42 5.011 7.668 0.637 1.00 0.00 C ATOM 638 C LEU A 42 4.931 8.750 1.710 1.00 0.00 C ATOM 639 O LEU A 42 5.831 9.583 1.833 1.00 0.00 O ATOM 640 CB LEU A 42 3.797 7.761 -0.288 1.00 0.00 C ATOM 641 CG LEU A 42 3.945 7.099 -1.659 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.613 6.532 -2.124 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.487 8.093 -2.676 1.00 0.00 C ATOM 0 H LEU A 42 4.181 5.890 1.378 1.00 0.00 H new ATOM 0 HA LEU A 42 5.918 7.827 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.943 7.312 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.560 8.814 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 42 4.656 6.277 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.738 6.065 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.264 5.788 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.881 7.336 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.586 7.604 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.801 8.936 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.463 8.452 -2.350 1.00 0.00 H new ATOM 655 N ILE A 43 3.851 8.731 2.484 1.00 0.00 N ATOM 656 CA ILE A 43 3.657 9.708 3.548 1.00 0.00 C ATOM 657 C ILE A 43 4.972 10.016 4.257 1.00 0.00 C ATOM 658 O ILE A 43 5.146 11.097 4.821 1.00 0.00 O ATOM 659 CB ILE A 43 2.630 9.215 4.584 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.549 10.274 4.806 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.323 8.874 5.895 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.316 10.066 3.955 1.00 0.00 C ATOM 0 H ILE A 43 3.097 8.050 2.394 1.00 0.00 H new ATOM 0 HA ILE A 43 3.279 10.616 3.079 1.00 0.00 H new ATOM 0 HB ILE A 43 2.154 8.312 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.260 10.272 5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.966 11.258 4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.584 8.527 6.618 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.060 8.089 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.822 9.761 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.408 10.853 4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.592 10.098 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.126 9.096 4.185 1.00 0.00 H new ATOM 674 N LYS A 44 5.893 9.061 4.225 1.00 0.00 N ATOM 675 CA LYS A 44 7.194 9.230 4.862 1.00 0.00 C ATOM 676 C LYS A 44 8.095 10.135 4.028 1.00 0.00 C ATOM 677 O LYS A 44 8.775 11.011 4.563 1.00 0.00 O ATOM 678 CB LYS A 44 7.867 7.870 5.064 1.00 0.00 C ATOM 679 CG LYS A 44 8.143 7.538 6.520 1.00 0.00 C ATOM 680 CD LYS A 44 6.874 7.587 7.353 1.00 0.00 C ATOM 681 CE LYS A 44 6.271 6.202 7.533 1.00 0.00 C ATOM 682 NZ LYS A 44 5.953 5.916 8.959 1.00 0.00 N ATOM 0 H LYS A 44 5.763 8.160 3.764 1.00 0.00 H new ATOM 0 HA LYS A 44 7.036 9.699 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.233 7.093 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.807 7.854 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.587 6.545 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.871 8.242 6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.095 8.018 8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.147 8.242 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.363 6.121 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.967 5.451 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.449 5.053 9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.260 6.715 9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.927 5.780 9.066 1.00 0.00 H new ATOM 696 N GLU A 45 8.092 9.920 2.716 1.00 0.00 N ATOM 697 CA GLU A 45 8.909 10.718 1.809 1.00 0.00 C ATOM 698 C GLU A 45 8.324 12.118 1.641 1.00 0.00 C ATOM 699 O GLU A 45 8.920 13.106 2.070 1.00 0.00 O ATOM 700 CB GLU A 45 9.018 10.031 0.447 1.00 0.00 C ATOM 701 CG GLU A 45 10.447 9.868 -0.040 1.00 0.00 C ATOM 702 CD GLU A 45 11.103 8.607 0.486 1.00 0.00 C ATOM 703 OE1 GLU A 45 11.345 7.684 -0.319 1.00 0.00 O ATOM 704 OE2 GLU A 45 11.373 8.542 1.704 1.00 0.00 O ATOM 0 H GLU A 45 7.533 9.200 2.258 1.00 0.00 H new ATOM 0 HA GLU A 45 9.905 10.809 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.549 9.049 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.456 10.608 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.455 9.850 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.033 10.734 0.269 1.00 0.00 H new ATOM 711 N GLY A 46 7.155 12.193 1.014 1.00 0.00 N ATOM 712 CA GLY A 46 6.510 13.475 0.799 1.00 0.00 C ATOM 713 C GLY A 46 7.245 14.331 -0.214 1.00 0.00 C ATOM 714 O GLY A 46 7.752 15.403 0.120 1.00 0.00 O ATOM 0 H GLY A 46 6.643 11.389 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.488 13.311 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.448 14.011 1.746 1.00 0.00 H new ATOM 718 N LEU A 47 7.304 13.858 -1.454 1.00 0.00 N ATOM 719 CA LEU A 47 7.984 14.587 -2.519 1.00 0.00 C ATOM 720 C LEU A 47 6.980 15.307 -3.413 1.00 0.00 C ATOM 721 O LEU A 47 7.273 16.368 -3.962 1.00 0.00 O ATOM 722 CB LEU A 47 8.836 13.630 -3.355 1.00 0.00 C ATOM 723 CG LEU A 47 8.093 12.459 -3.999 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.865 11.932 -5.199 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.861 11.351 -2.983 1.00 0.00 C ATOM 0 H LEU A 47 6.889 12.973 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 47 8.632 15.333 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.323 14.203 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.625 13.228 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 47 7.123 12.816 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.321 11.099 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.979 12.727 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.849 11.592 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.331 10.526 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.820 10.997 -2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.265 11.735 -2.155 1.00 0.00 H new ATOM 737 N GLU A 48 5.794 14.722 -3.552 1.00 0.00 N ATOM 738 CA GLU A 48 4.746 15.309 -4.379 1.00 0.00 C ATOM 739 C GLU A 48 3.576 14.343 -4.541 1.00 0.00 C ATOM 740 O GLU A 48 2.436 14.760 -4.752 1.00 0.00 O ATOM 741 CB GLU A 48 5.302 15.689 -5.753 1.00 0.00 C ATOM 742 CG GLU A 48 6.424 14.780 -6.228 1.00 0.00 C ATOM 743 CD GLU A 48 6.555 14.753 -7.738 1.00 0.00 C ATOM 744 OE1 GLU A 48 5.632 14.241 -8.404 1.00 0.00 O ATOM 745 OE2 GLU A 48 7.579 15.246 -8.254 1.00 0.00 O ATOM 0 H GLU A 48 5.535 13.843 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 48 4.386 16.208 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.493 15.665 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.668 16.715 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.366 15.113 -5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.245 13.768 -5.865 1.00 0.00 H new ATOM 752 N THR A 49 3.865 13.050 -4.441 1.00 0.00 N ATOM 753 CA THR A 49 2.839 12.024 -4.578 1.00 0.00 C ATOM 754 C THR A 49 1.534 12.461 -3.922 1.00 0.00 C ATOM 755 O THR A 49 0.453 12.025 -4.316 1.00 0.00 O ATOM 756 CB THR A 49 3.292 10.690 -3.956 1.00 0.00 C ATOM 757 OG1 THR A 49 4.567 10.310 -4.486 1.00 0.00 O ATOM 758 CG2 THR A 49 2.276 9.591 -4.231 1.00 0.00 C ATOM 0 H THR A 49 4.802 12.688 -4.265 1.00 0.00 H new ATOM 0 HA THR A 49 2.675 11.881 -5.646 1.00 0.00 H new ATOM 0 HB THR A 49 3.373 10.827 -2.878 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.460 9.529 -5.068 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.618 8.659 -3.782 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.314 9.869 -3.801 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.167 9.457 -5.307 1.00 0.00 H new ATOM 766 N ALA A 50 1.642 13.325 -2.917 1.00 0.00 N ATOM 767 CA ALA A 50 0.471 13.823 -2.208 1.00 0.00 C ATOM 768 C ALA A 50 -0.372 12.673 -1.665 1.00 0.00 C ATOM 769 O ALA A 50 -1.520 12.867 -1.266 1.00 0.00 O ATOM 770 CB ALA A 50 -0.364 14.705 -3.124 1.00 0.00 C ATOM 0 H ALA A 50 2.530 13.694 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 50 0.814 14.418 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.236 15.070 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.235 15.551 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.691 14.126 -3.988 1.00 0.00 H new ATOM 776 N ILE A 51 0.206 11.477 -1.653 1.00 0.00 N ATOM 777 CA ILE A 51 -0.493 10.296 -1.159 1.00 0.00 C ATOM 778 C ILE A 51 -1.982 10.366 -1.478 1.00 0.00 C ATOM 779 O ILE A 51 -2.780 10.835 -0.665 1.00 0.00 O ATOM 780 CB ILE A 51 -0.311 10.131 0.362 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.164 9.902 0.699 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.161 8.978 0.873 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.078 10.991 0.182 1.00 0.00 C ATOM 0 H ILE A 51 1.156 11.300 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.056 9.435 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.639 11.046 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.274 9.830 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.479 8.946 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.023 8.873 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.211 9.178 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.859 8.056 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.108 10.763 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.997 11.049 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.789 11.947 0.619 1.00 0.00 H new ATOM 795 N SER A 52 -2.351 9.894 -2.664 1.00 0.00 N ATOM 796 CA SER A 52 -3.745 9.904 -3.091 1.00 0.00 C ATOM 797 C SER A 52 -4.346 8.504 -3.015 1.00 0.00 C ATOM 798 O SER A 52 -3.625 7.505 -3.004 1.00 0.00 O ATOM 799 CB SER A 52 -3.859 10.444 -4.517 1.00 0.00 C ATOM 800 OG SER A 52 -2.591 10.820 -5.024 1.00 0.00 O ATOM 0 H SER A 52 -1.704 9.500 -3.347 1.00 0.00 H new ATOM 0 HA SER A 52 -4.301 10.556 -2.418 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.301 9.685 -5.162 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.529 11.304 -4.531 1.00 0.00 H new ATOM 0 HG SER A 52 -2.692 11.161 -5.937 1.00 0.00 H new ATOM 806 N CYS A 53 -5.673 8.438 -2.962 1.00 0.00 N ATOM 807 CA CYS A 53 -6.374 7.162 -2.887 1.00 0.00 C ATOM 808 C CYS A 53 -5.622 6.082 -3.661 1.00 0.00 C ATOM 809 O CYS A 53 -5.170 6.292 -4.787 1.00 0.00 O ATOM 810 CB CYS A 53 -7.795 7.304 -3.437 1.00 0.00 C ATOM 811 SG CYS A 53 -8.826 5.818 -3.223 1.00 0.00 S ATOM 0 H CYS A 53 -6.284 9.255 -2.970 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.425 6.865 -1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.282 8.145 -2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.740 7.545 -4.499 1.00 0.00 H new ATOM 816 N PRO A 54 -5.486 4.899 -3.045 1.00 0.00 N ATOM 817 CA PRO A 54 -4.792 3.763 -3.657 1.00 0.00 C ATOM 818 C PRO A 54 -5.567 3.173 -4.830 1.00 0.00 C ATOM 819 O PRO A 54 -5.087 2.267 -5.511 1.00 0.00 O ATOM 820 CB PRO A 54 -4.696 2.748 -2.516 1.00 0.00 C ATOM 821 CG PRO A 54 -5.830 3.088 -1.611 1.00 0.00 C ATOM 822 CD PRO A 54 -6.001 4.579 -1.703 1.00 0.00 C ATOM 0 HA PRO A 54 -3.826 4.052 -4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.778 1.726 -2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.740 2.823 -1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.740 2.571 -1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.617 2.782 -0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.045 4.871 -1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.441 5.097 -0.924 1.00 0.00 H new ATOM 830 N ASP A 55 -6.768 3.693 -5.061 1.00 0.00 N ATOM 831 CA ASP A 55 -7.609 3.219 -6.153 1.00 0.00 C ATOM 832 C ASP A 55 -7.333 4.003 -7.433 1.00 0.00 C ATOM 833 O ASP A 55 -7.516 5.219 -7.478 1.00 0.00 O ATOM 834 CB ASP A 55 -9.087 3.338 -5.776 1.00 0.00 C ATOM 835 CG ASP A 55 -9.937 2.259 -6.417 1.00 0.00 C ATOM 836 OD1 ASP A 55 -11.115 2.537 -6.727 1.00 0.00 O ATOM 837 OD2 ASP A 55 -9.425 1.136 -6.609 1.00 0.00 O ATOM 0 H ASP A 55 -7.180 4.443 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.371 2.171 -6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.188 3.280 -4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.459 4.317 -6.079 1.00 0.00 H new ATOM 842 N ALA A 56 -6.890 3.298 -8.468 1.00 0.00 N ATOM 843 CA ALA A 56 -6.589 3.928 -9.748 1.00 0.00 C ATOM 844 C ALA A 56 -7.849 4.080 -10.595 1.00 0.00 C ATOM 845 O ALA A 56 -7.787 4.066 -11.824 1.00 0.00 O ATOM 846 CB ALA A 56 -5.539 3.123 -10.499 1.00 0.00 C ATOM 0 H ALA A 56 -6.731 2.291 -8.446 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.193 4.924 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.324 3.605 -11.453 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.627 3.071 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.913 2.115 -10.678 1.00 0.00 H new ATOM 852 N ALA A 57 -8.989 4.224 -9.929 1.00 0.00 N ATOM 853 CA ALA A 57 -10.263 4.380 -10.621 1.00 0.00 C ATOM 854 C ALA A 57 -11.294 5.060 -9.727 1.00 0.00 C ATOM 855 O ALA A 57 -12.499 4.946 -9.954 1.00 0.00 O ATOM 856 CB ALA A 57 -10.778 3.027 -11.089 1.00 0.00 C ATOM 0 H ALA A 57 -9.057 4.236 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.100 5.016 -11.491 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.730 3.158 -11.604 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.055 2.579 -11.771 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.918 2.374 -10.228 1.00 0.00 H new ATOM 862 N CYS A 58 -10.814 5.766 -8.709 1.00 0.00 N ATOM 863 CA CYS A 58 -11.693 6.464 -7.778 1.00 0.00 C ATOM 864 C CYS A 58 -12.358 7.660 -8.453 1.00 0.00 C ATOM 865 O CYS A 58 -11.703 8.504 -9.065 1.00 0.00 O ATOM 866 CB CYS A 58 -10.907 6.928 -6.552 1.00 0.00 C ATOM 867 SG CYS A 58 -11.951 7.417 -5.141 1.00 0.00 S ATOM 0 H CYS A 58 -9.820 5.870 -8.507 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.470 5.769 -7.460 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.240 6.126 -6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.278 7.772 -6.835 1.00 0.00 H new ATOM 872 N PRO A 59 -13.693 7.735 -8.339 1.00 0.00 N ATOM 873 CA PRO A 59 -14.477 8.825 -8.930 1.00 0.00 C ATOM 874 C PRO A 59 -14.243 10.156 -8.225 1.00 0.00 C ATOM 875 O PRO A 59 -14.700 11.203 -8.685 1.00 0.00 O ATOM 876 CB PRO A 59 -15.925 8.365 -8.738 1.00 0.00 C ATOM 877 CG PRO A 59 -15.877 7.448 -7.564 1.00 0.00 C ATOM 878 CD PRO A 59 -14.540 6.766 -7.625 1.00 0.00 C ATOM 0 HA PRO A 59 -14.206 9.004 -9.971 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.588 9.210 -8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.299 7.854 -9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.990 8.001 -6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.688 6.721 -7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.153 6.552 -6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.598 5.816 -8.156 1.00 0.00 H new ATOM 886 N LYS A 60 -13.529 10.110 -7.106 1.00 0.00 N ATOM 887 CA LYS A 60 -13.232 11.313 -6.337 1.00 0.00 C ATOM 888 C LYS A 60 -11.728 11.470 -6.131 1.00 0.00 C ATOM 889 O LYS A 60 -11.238 12.574 -5.896 1.00 0.00 O ATOM 890 CB LYS A 60 -13.941 11.265 -4.982 1.00 0.00 C ATOM 891 CG LYS A 60 -15.411 10.895 -5.077 1.00 0.00 C ATOM 892 CD LYS A 60 -16.176 11.323 -3.837 1.00 0.00 C ATOM 893 CE LYS A 60 -17.566 11.833 -4.187 1.00 0.00 C ATOM 894 NZ LYS A 60 -18.633 10.932 -3.669 1.00 0.00 N ATOM 0 H LYS A 60 -13.145 9.252 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.595 12.173 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.434 10.543 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.850 12.238 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.849 11.366 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.508 9.818 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.259 10.480 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.621 12.104 -3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.701 12.832 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.659 11.921 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.565 11.313 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.519 9.985 -4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.561 10.868 -2.634 1.00 0.00 H new ATOM 908 N GLN A 61 -11.004 10.360 -6.222 1.00 0.00 N ATOM 909 CA GLN A 61 -9.557 10.375 -6.046 1.00 0.00 C ATOM 910 C GLN A 61 -9.154 11.345 -4.940 1.00 0.00 C ATOM 911 O GLN A 61 -8.434 12.313 -5.182 1.00 0.00 O ATOM 912 CB GLN A 61 -8.866 10.761 -7.356 1.00 0.00 C ATOM 913 CG GLN A 61 -9.275 9.895 -8.537 1.00 0.00 C ATOM 914 CD GLN A 61 -8.356 10.064 -9.730 1.00 0.00 C ATOM 915 OE1 GLN A 61 -8.532 10.974 -10.540 1.00 0.00 O ATOM 916 NE2 GLN A 61 -7.366 9.187 -9.845 1.00 0.00 N ATOM 0 H GLN A 61 -11.396 9.439 -6.417 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.241 9.372 -5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.093 11.802 -7.584 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.786 10.692 -7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.279 8.849 -8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.295 10.145 -8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.256 8.448 -9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.715 9.252 -10.628 1.00 0.00 H new ATOM 925 N GLY A 62 -9.623 11.078 -3.725 1.00 0.00 N ATOM 926 CA GLY A 62 -9.302 11.936 -2.601 1.00 0.00 C ATOM 927 C GLY A 62 -7.864 11.782 -2.146 1.00 0.00 C ATOM 928 O GLY A 62 -7.288 10.697 -2.242 1.00 0.00 O ATOM 0 H GLY A 62 -10.220 10.282 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.483 12.975 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.969 11.706 -1.770 1.00 0.00 H new ATOM 932 N HIS A 63 -7.281 12.868 -1.651 1.00 0.00 N ATOM 933 CA HIS A 63 -5.900 12.850 -1.181 1.00 0.00 C ATOM 934 C HIS A 63 -5.839 12.543 0.313 1.00 0.00 C ATOM 935 O HIS A 63 -6.855 12.587 1.009 1.00 0.00 O ATOM 936 CB HIS A 63 -5.223 14.190 -1.466 1.00 0.00 C ATOM 937 CG HIS A 63 -4.904 14.403 -2.914 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.547 15.340 -3.697 1.00 0.00 N ATOM 939 CD2 HIS A 63 -4.003 13.796 -3.721 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.056 15.298 -4.922 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.117 14.370 -4.963 1.00 0.00 N ATOM 0 H HIS A 63 -7.743 13.773 -1.565 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.370 12.063 -1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.872 14.996 -1.123 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.302 14.253 -0.886 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.321 13.007 -3.440 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.369 15.917 -5.750 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.566 14.120 -5.784 1.00 0.00 H new ATOM 949 N LEU A 64 -4.643 12.233 0.800 1.00 0.00 N ATOM 950 CA LEU A 64 -4.449 11.918 2.210 1.00 0.00 C ATOM 951 C LEU A 64 -3.516 12.927 2.871 1.00 0.00 C ATOM 952 O LEU A 64 -2.776 13.639 2.191 1.00 0.00 O ATOM 953 CB LEU A 64 -3.883 10.505 2.365 1.00 0.00 C ATOM 954 CG LEU A 64 -4.887 9.361 2.229 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.192 8.094 1.755 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.601 9.117 3.551 1.00 0.00 C ATOM 0 H LEU A 64 -3.792 12.193 0.238 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.419 11.970 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.100 10.365 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.408 10.431 3.343 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.631 9.643 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.923 7.290 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.728 8.274 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.426 7.808 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.312 8.299 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.870 8.857 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.133 10.020 3.849 1.00 0.00 H new ATOM 968 N GLN A 65 -3.554 12.982 4.198 1.00 0.00 N ATOM 969 CA GLN A 65 -2.709 13.904 4.949 1.00 0.00 C ATOM 970 C GLN A 65 -1.408 13.230 5.371 1.00 0.00 C ATOM 971 O GLN A 65 -1.280 12.008 5.297 1.00 0.00 O ATOM 972 CB GLN A 65 -3.453 14.420 6.182 1.00 0.00 C ATOM 973 CG GLN A 65 -4.906 13.975 6.248 1.00 0.00 C ATOM 974 CD GLN A 65 -5.063 12.581 6.822 1.00 0.00 C ATOM 975 OE1 GLN A 65 -4.000 11.790 6.756 1.00 0.00 O flip ATOM 976 NE2 GLN A 65 -6.130 12.219 7.320 1.00 0.00 N flip ATOM 0 H GLN A 65 -4.160 12.400 4.776 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.466 14.746 4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.936 14.077 7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.415 15.509 6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.471 14.681 6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.336 14.002 5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.922 12.860 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.221 11.278 7.702 1.00 0.00 H new ATOM 985 N GLU A 66 -0.447 14.034 5.813 1.00 0.00 N ATOM 986 CA GLU A 66 0.845 13.514 6.245 1.00 0.00 C ATOM 987 C GLU A 66 0.842 13.226 7.744 1.00 0.00 C ATOM 988 O GLU A 66 1.212 12.136 8.177 1.00 0.00 O ATOM 989 CB GLU A 66 1.958 14.508 5.908 1.00 0.00 C ATOM 990 CG GLU A 66 2.582 14.282 4.541 1.00 0.00 C ATOM 991 CD GLU A 66 4.094 14.389 4.564 1.00 0.00 C ATOM 992 OE1 GLU A 66 4.650 15.130 3.727 1.00 0.00 O ATOM 993 OE2 GLU A 66 4.723 13.731 5.420 1.00 0.00 O ATOM 0 H GLU A 66 -0.538 15.048 5.881 1.00 0.00 H new ATOM 0 HA GLU A 66 1.028 12.580 5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.555 15.520 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.736 14.441 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.297 13.296 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.181 15.012 3.838 1.00 0.00 H new ATOM 1000 N ASN A 67 0.420 14.212 8.529 1.00 0.00 N ATOM 1001 CA ASN A 67 0.369 14.067 9.979 1.00 0.00 C ATOM 1002 C ASN A 67 -0.648 13.004 10.383 1.00 0.00 C ATOM 1003 O ASN A 67 -0.316 12.047 11.083 1.00 0.00 O ATOM 1004 CB ASN A 67 0.016 15.402 10.635 1.00 0.00 C ATOM 1005 CG ASN A 67 -1.174 16.072 9.976 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -2.375 15.699 10.403 1.00 0.00 O flip ATOM 1007 ND2 ASN A 67 -1.015 16.916 9.094 1.00 0.00 N flip ATOM 0 H ASN A 67 0.108 15.120 8.185 1.00 0.00 H new ATOM 0 HA ASN A 67 1.354 13.752 10.322 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.201 15.239 11.691 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.878 16.067 10.585 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.073 17.172 8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.825 17.359 8.660 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.888 13.178 9.938 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.953 12.235 10.253 1.00 0.00 C ATOM 1016 C GLU A 68 -2.526 10.806 9.933 1.00 0.00 C ATOM 1017 O GLU A 68 -2.541 9.933 10.802 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.224 12.586 9.475 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.361 13.073 10.356 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.302 11.957 10.765 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -7.324 11.760 10.073 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -6.019 11.281 11.775 1.00 0.00 O ATOM 0 H GLU A 68 -2.180 13.964 9.358 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.160 12.304 11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.989 13.356 8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.555 11.708 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.948 13.541 11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.923 13.841 9.825 1.00 0.00 H new ATOM 1029 N ILE A 69 -2.146 10.574 8.681 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.715 9.251 8.245 1.00 0.00 C ATOM 1031 C ILE A 69 -0.545 8.751 9.086 1.00 0.00 C ATOM 1032 O ILE A 69 -0.656 7.744 9.785 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.303 9.253 6.762 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.542 9.291 5.866 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.451 8.032 6.447 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.511 8.272 4.749 1.00 0.00 C ATOM 0 H ILE A 69 -2.128 11.285 7.950 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.566 8.582 8.375 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.709 10.146 6.566 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.428 9.121 6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.639 10.288 5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.168 8.048 5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.447 8.046 7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.021 7.127 6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.421 8.356 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.644 8.454 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.446 7.270 5.173 1.00 0.00 H new ATOM 1048 N GLU A 70 0.575 9.463 9.015 1.00 0.00 N ATOM 1049 CA GLU A 70 1.766 9.091 9.770 1.00 0.00 C ATOM 1050 C GLU A 70 1.438 8.916 11.251 1.00 0.00 C ATOM 1051 O GLU A 70 2.133 8.198 11.971 1.00 0.00 O ATOM 1052 CB GLU A 70 2.857 10.149 9.600 1.00 0.00 C ATOM 1053 CG GLU A 70 2.752 11.297 10.591 1.00 0.00 C ATOM 1054 CD GLU A 70 3.818 12.353 10.376 1.00 0.00 C ATOM 1055 OE1 GLU A 70 3.713 13.109 9.389 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.758 12.423 11.196 1.00 0.00 O ATOM 0 H GLU A 70 0.683 10.300 8.443 1.00 0.00 H new ATOM 0 HA GLU A 70 2.129 8.140 9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.832 9.674 9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.809 10.549 8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.768 11.757 10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.833 10.905 11.605 1.00 0.00 H new ATOM 1063 N CYS A 71 0.375 9.576 11.698 1.00 0.00 N ATOM 1064 CA CYS A 71 -0.045 9.496 13.091 1.00 0.00 C ATOM 1065 C CYS A 71 -0.672 8.138 13.393 1.00 0.00 C ATOM 1066 O CYS A 71 -0.647 7.671 14.531 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.039 10.613 13.412 1.00 0.00 C ATOM 1068 SG CYS A 71 -2.298 10.155 14.625 1.00 0.00 S ATOM 0 H CYS A 71 -0.212 10.173 11.115 1.00 0.00 H new ATOM 0 HA CYS A 71 0.839 9.616 13.718 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.489 11.478 13.784 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.533 10.921 12.490 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.976 9.024 15.179 1.00 0.00 H new ATOM 1074 N MET A 72 -1.236 7.513 12.365 1.00 0.00 N ATOM 1075 CA MET A 72 -1.871 6.208 12.521 1.00 0.00 C ATOM 1076 C MET A 72 -0.864 5.084 12.304 1.00 0.00 C ATOM 1077 O MET A 72 -1.227 3.908 12.281 1.00 0.00 O ATOM 1078 CB MET A 72 -3.034 6.063 11.537 1.00 0.00 C ATOM 1079 CG MET A 72 -2.678 5.276 10.287 1.00 0.00 C ATOM 1080 SD MET A 72 -3.761 5.652 8.896 1.00 0.00 S ATOM 1081 CE MET A 72 -2.896 4.829 7.560 1.00 0.00 C ATOM 0 H MET A 72 -1.267 7.887 11.417 1.00 0.00 H new ATOM 0 HA MET A 72 -2.254 6.137 13.539 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.866 5.572 12.041 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.379 7.055 11.246 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.647 5.492 10.008 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.732 4.210 10.506 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.352 5.102 6.608 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.850 5.134 7.561 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.959 3.749 7.696 1.00 0.00 H new ATOM 1091 N VAL A 73 0.403 5.453 12.147 1.00 0.00 N ATOM 1092 CA VAL A 73 1.464 4.475 11.934 1.00 0.00 C ATOM 1093 C VAL A 73 2.709 4.830 12.738 1.00 0.00 C ATOM 1094 O VAL A 73 3.089 4.113 13.662 1.00 0.00 O ATOM 1095 CB VAL A 73 1.840 4.371 10.444 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.076 3.237 9.778 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.577 5.691 9.734 1.00 0.00 C ATOM 0 H VAL A 73 0.720 6.422 12.163 1.00 0.00 H new ATOM 0 HA VAL A 73 1.080 3.513 12.272 1.00 0.00 H new ATOM 0 HB VAL A 73 2.905 4.152 10.371 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.355 3.179 8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.320 2.296 10.270 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.005 3.422 9.860 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.848 5.599 8.682 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.520 5.943 9.815 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.174 6.478 10.195 1.00 0.00 H new ATOM 1107 N ALA A 74 3.340 5.944 12.380 1.00 0.00 N ATOM 1108 CA ALA A 74 4.542 6.395 13.069 1.00 0.00 C ATOM 1109 C ALA A 74 4.193 7.317 14.233 1.00 0.00 C ATOM 1110 O ALA A 74 4.887 8.299 14.490 1.00 0.00 O ATOM 1111 CB ALA A 74 5.474 7.103 12.096 1.00 0.00 C ATOM 0 H ALA A 74 3.038 6.550 11.617 1.00 0.00 H new ATOM 0 HA ALA A 74 5.051 5.519 13.471 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.368 7.435 12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.758 6.416 11.299 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.965 7.966 11.667 1.00 0.00 H new ATOM 1117 N ALA A 75 3.112 6.992 14.934 1.00 0.00 N ATOM 1118 CA ALA A 75 2.670 7.790 16.072 1.00 0.00 C ATOM 1119 C ALA A 75 3.822 8.051 17.039 1.00 0.00 C ATOM 1120 O ALA A 75 3.748 8.997 17.820 1.00 0.00 O ATOM 1121 CB ALA A 75 1.523 7.097 16.790 1.00 0.00 C ATOM 0 H ALA A 75 2.526 6.182 14.734 1.00 0.00 H new ATOM 0 HA ALA A 75 2.320 8.751 15.696 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.204 7.704 17.637 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.688 6.967 16.101 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.854 6.122 17.147 1.00 0.00 H new TER 1127 ALA A 75 HETATM 1128 ZN ZN A 201 -6.351 -4.470 1.931 1.00 0.00 ZN HETATM 1129 ZN ZN A 202 -10.977 6.757 -3.083 1.00 0.00 ZN