USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 665 hydrogens (39 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot 170:sc= -3.22! USER MOD Set 1.2: A 69 GLN : amide:sc= -4.74! C(o=-8!,f=-13!) USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.2: A 29 SER OG : rot 88:sc= 1.2 USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.17 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 159:sc= -0.0659 (180deg=-0.499) USER MOD Single : A 5 THR OG1 : rot -151:sc= -0.636 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -21:sc= -0.25 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= -1.41 (180deg=-3.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 85:sc= 1.18 USER MOD Single : A 46 MET CE :methyl -132:sc= -0.876 (180deg=-1.82!) USER MOD Single : A 47 ASN : amide:sc= -2.44! K(o=-2.4!,f=-3.2) USER MOD Single : A 55 ASN : amide:sc= 0.229 K(o=0.23,f=-1.4) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= -0.0535 (180deg=-0.433) USER MOD Single : A 62 GLN :FLIP amide:sc= -2.97! C(o=-5.1!,f=-3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.88! C(o=-6.5!,f=-2.9!) USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= -1.11 (180deg=-3.41!) USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= 0.744 (180deg=-0.0397) USER MOD Single : A 101 PNS O33 : rot 102:sc= -0.0822 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.700 -7.419 1.465 1.00 1.00 N ATOM 2 CA ALA A 1 -9.752 -7.441 0.316 1.00 1.00 C ATOM 3 C ALA A 1 -9.581 -8.880 -0.160 1.00 1.00 C ATOM 4 O ALA A 1 -10.188 -9.800 0.389 1.00 1.00 O ATOM 5 CB ALA A 1 -8.400 -6.872 0.759 1.00 1.00 C ATOM 0 H1 ALA A 1 -11.537 -6.854 1.214 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.993 -8.391 1.692 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.233 -6.997 2.293 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.143 -6.833 -0.500 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -7.706 -6.888 -0.081 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.532 -5.846 1.102 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.999 -7.477 1.572 1.00 1.00 H new ATOM 13 N LYS A 2 -8.750 -9.068 -1.184 1.00 1.00 N ATOM 14 CA LYS A 2 -8.497 -10.398 -1.738 1.00 1.00 C ATOM 15 C LYS A 2 -7.000 -10.620 -1.904 1.00 1.00 C ATOM 16 O LYS A 2 -6.218 -9.670 -1.914 1.00 1.00 O ATOM 17 CB LYS A 2 -9.185 -10.533 -3.104 1.00 1.00 C ATOM 18 CG LYS A 2 -8.931 -9.263 -3.954 1.00 1.00 C ATOM 19 CD LYS A 2 -10.092 -8.263 -3.796 1.00 1.00 C ATOM 20 CE LYS A 2 -11.241 -8.635 -4.741 1.00 1.00 C ATOM 21 NZ LYS A 2 -12.326 -7.621 -4.622 1.00 1.00 N ATOM 0 H LYS A 2 -8.240 -8.316 -1.647 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.898 -11.145 -1.053 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -8.806 -11.412 -3.626 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -10.256 -10.681 -2.968 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -7.996 -8.794 -3.647 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -8.820 -9.537 -5.003 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -10.445 -8.263 -2.765 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -9.744 -7.253 -4.014 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -10.881 -8.680 -5.769 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -11.624 -9.625 -4.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -13.107 -7.871 -5.262 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -12.675 -7.599 -3.642 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -11.955 -6.684 -4.878 1.00 1.00 H new ATOM 35 N LYS A 3 -6.612 -11.879 -2.038 1.00 1.00 N ATOM 36 CA LYS A 3 -5.209 -12.221 -2.204 1.00 1.00 C ATOM 37 C LYS A 3 -4.641 -11.567 -3.458 1.00 1.00 C ATOM 38 O LYS A 3 -3.457 -11.228 -3.508 1.00 1.00 O ATOM 39 CB LYS A 3 -5.060 -13.741 -2.312 1.00 1.00 C ATOM 40 CG LYS A 3 -6.121 -14.318 -3.289 1.00 1.00 C ATOM 41 CD LYS A 3 -7.239 -15.032 -2.515 1.00 1.00 C ATOM 42 CE LYS A 3 -8.270 -15.587 -3.498 1.00 1.00 C ATOM 43 NZ LYS A 3 -7.631 -16.626 -4.353 1.00 1.00 N ATOM 0 H LYS A 3 -7.247 -12.678 -2.035 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.658 -11.856 -1.337 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -4.059 -13.991 -2.662 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -5.176 -14.196 -1.328 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -6.545 -13.514 -3.890 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -5.646 -15.016 -3.979 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -6.821 -15.841 -1.916 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -7.717 -14.338 -1.824 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -9.112 -16.015 -2.955 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -8.666 -14.783 -4.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -8.365 -17.242 -4.758 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -7.103 -16.166 -5.122 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -6.979 -17.196 -3.777 1.00 1.00 H new ATOM 57 N GLU A 4 -5.482 -11.403 -4.470 1.00 1.00 N ATOM 58 CA GLU A 4 -5.034 -10.801 -5.718 1.00 1.00 C ATOM 59 C GLU A 4 -4.630 -9.349 -5.496 1.00 1.00 C ATOM 60 O GLU A 4 -3.555 -8.930 -5.916 1.00 1.00 O ATOM 61 CB GLU A 4 -6.154 -10.865 -6.761 1.00 1.00 C ATOM 62 CG GLU A 4 -5.615 -10.432 -8.128 1.00 1.00 C ATOM 63 CD GLU A 4 -4.652 -11.485 -8.665 1.00 1.00 C ATOM 64 OE1 GLU A 4 -4.571 -12.546 -8.068 1.00 1.00 O ATOM 65 OE2 GLU A 4 -4.004 -11.215 -9.662 1.00 1.00 O ATOM 0 H GLU A 4 -6.465 -11.674 -4.453 1.00 1.00 H new ATOM 0 HA GLU A 4 -4.169 -11.358 -6.078 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -6.551 -11.879 -6.821 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -6.978 -10.217 -6.463 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -6.440 -10.292 -8.826 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.106 -9.472 -8.040 1.00 1.00 H new ATOM 72 N THR A 5 -5.499 -8.590 -4.835 1.00 1.00 N ATOM 73 CA THR A 5 -5.231 -7.178 -4.566 1.00 1.00 C ATOM 74 C THR A 5 -3.977 -7.017 -3.717 1.00 1.00 C ATOM 75 O THR A 5 -3.160 -6.130 -3.961 1.00 1.00 O ATOM 76 CB THR A 5 -6.422 -6.541 -3.846 1.00 1.00 C ATOM 77 OG1 THR A 5 -7.574 -6.636 -4.669 1.00 1.00 O ATOM 78 CG2 THR A 5 -6.123 -5.066 -3.555 1.00 1.00 C ATOM 0 H THR A 5 -6.393 -8.926 -4.476 1.00 1.00 H new ATOM 0 HA THR A 5 -5.075 -6.676 -5.521 1.00 1.00 H new ATOM 0 HB THR A 5 -6.598 -7.064 -2.906 1.00 1.00 H new ATOM 0 HG1 THR A 5 -8.177 -5.888 -4.475 1.00 1.00 H new ATOM 0 HG21 THR A 5 -6.974 -4.617 -3.042 1.00 1.00 H new ATOM 0 HG22 THR A 5 -5.238 -4.992 -2.923 1.00 1.00 H new ATOM 0 HG23 THR A 5 -5.945 -4.539 -4.492 1.00 1.00 H new ATOM 86 N ILE A 6 -3.834 -7.874 -2.716 1.00 1.00 N ATOM 87 CA ILE A 6 -2.682 -7.815 -1.825 1.00 1.00 C ATOM 88 C ILE A 6 -1.396 -7.986 -2.625 1.00 1.00 C ATOM 89 O ILE A 6 -0.399 -7.312 -2.365 1.00 1.00 O ATOM 90 CB ILE A 6 -2.773 -8.922 -0.767 1.00 1.00 C ATOM 91 CG1 ILE A 6 -3.971 -8.647 0.155 1.00 1.00 C ATOM 92 CG2 ILE A 6 -1.485 -8.945 0.071 1.00 1.00 C ATOM 93 CD1 ILE A 6 -4.220 -9.849 1.080 1.00 1.00 C ATOM 0 H ILE A 6 -4.499 -8.617 -2.500 1.00 1.00 H new ATOM 0 HA ILE A 6 -2.675 -6.844 -1.329 1.00 1.00 H new ATOM 0 HB ILE A 6 -2.901 -9.885 -1.262 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -3.782 -7.754 0.751 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -4.861 -8.449 -0.443 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -1.553 -9.733 0.821 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -0.631 -9.136 -0.579 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -1.356 -7.982 0.566 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -5.072 -9.640 1.727 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -4.430 -10.734 0.479 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -3.335 -10.027 1.691 1.00 1.00 H new ATOM 105 N ASP A 7 -1.419 -8.898 -3.588 1.00 1.00 N ATOM 106 CA ASP A 7 -0.242 -9.153 -4.403 1.00 1.00 C ATOM 107 C ASP A 7 0.169 -7.895 -5.158 1.00 1.00 C ATOM 108 O ASP A 7 1.353 -7.582 -5.252 1.00 1.00 O ATOM 109 CB ASP A 7 -0.533 -10.273 -5.405 1.00 1.00 C ATOM 110 CG ASP A 7 -0.627 -11.611 -4.679 1.00 1.00 C ATOM 111 OD1 ASP A 7 -0.233 -11.666 -3.526 1.00 1.00 O ATOM 112 OD2 ASP A 7 -1.090 -12.561 -5.289 1.00 1.00 O ATOM 0 H ASP A 7 -2.232 -9.468 -3.821 1.00 1.00 H new ATOM 0 HA ASP A 7 0.573 -9.454 -3.745 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -1.466 -10.069 -5.930 1.00 1.00 H new ATOM 0 HB3 ASP A 7 0.255 -10.313 -6.157 1.00 1.00 H new ATOM 117 N LYS A 8 -0.811 -7.182 -5.706 1.00 1.00 N ATOM 118 CA LYS A 8 -0.514 -5.972 -6.463 1.00 1.00 C ATOM 119 C LYS A 8 0.143 -4.922 -5.577 1.00 1.00 C ATOM 120 O LYS A 8 1.160 -4.334 -5.947 1.00 1.00 O ATOM 121 CB LYS A 8 -1.803 -5.399 -7.047 1.00 1.00 C ATOM 122 CG LYS A 8 -2.587 -6.507 -7.780 1.00 1.00 C ATOM 123 CD LYS A 8 -3.397 -5.904 -8.931 1.00 1.00 C ATOM 124 CE LYS A 8 -4.349 -4.856 -8.370 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.339 -4.477 -9.417 1.00 1.00 N ATOM 0 H LYS A 8 -1.802 -7.416 -5.642 1.00 1.00 H new ATOM 0 HA LYS A 8 0.175 -6.234 -7.266 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -2.415 -4.974 -6.252 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.570 -4.589 -7.738 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -1.897 -7.258 -8.165 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -3.253 -7.014 -7.082 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -2.730 -5.452 -9.665 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -3.957 -6.684 -9.447 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -4.863 -5.248 -7.492 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -3.791 -3.977 -8.046 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.990 -3.761 -9.036 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.840 -4.087 -10.242 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.879 -5.318 -9.705 1.00 1.00 H new ATOM 139 N VAL A 9 -0.441 -4.687 -4.409 1.00 1.00 N ATOM 140 CA VAL A 9 0.105 -3.701 -3.487 1.00 1.00 C ATOM 141 C VAL A 9 1.490 -4.137 -3.014 1.00 1.00 C ATOM 142 O VAL A 9 2.428 -3.347 -3.010 1.00 1.00 O ATOM 143 CB VAL A 9 -0.829 -3.543 -2.280 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.280 -2.481 -1.323 1.00 1.00 C ATOM 145 CG2 VAL A 9 -2.221 -3.121 -2.752 1.00 1.00 C ATOM 0 H VAL A 9 -1.283 -5.160 -4.081 1.00 1.00 H new ATOM 0 HA VAL A 9 0.190 -2.744 -4.002 1.00 1.00 H new ATOM 0 HB VAL A 9 -0.892 -4.499 -1.761 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -0.951 -2.378 -0.470 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.707 -2.782 -0.973 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.205 -1.526 -1.843 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -2.879 -3.011 -1.890 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.153 -2.170 -3.281 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -2.624 -3.881 -3.422 1.00 1.00 H new ATOM 155 N SER A 10 1.614 -5.400 -2.621 1.00 1.00 N ATOM 156 CA SER A 10 2.891 -5.917 -2.146 1.00 1.00 C ATOM 157 C SER A 10 3.948 -5.834 -3.244 1.00 1.00 C ATOM 158 O SER A 10 5.102 -5.505 -2.979 1.00 1.00 O ATOM 159 CB SER A 10 2.730 -7.369 -1.700 1.00 1.00 C ATOM 160 OG SER A 10 2.263 -8.146 -2.796 1.00 1.00 O ATOM 0 H SER A 10 0.853 -6.079 -2.622 1.00 1.00 H new ATOM 0 HA SER A 10 3.215 -5.310 -1.301 1.00 1.00 H new ATOM 0 HB2 SER A 10 3.682 -7.760 -1.342 1.00 1.00 H new ATOM 0 HB3 SER A 10 2.027 -7.431 -0.869 1.00 1.00 H new ATOM 0 HG SER A 10 1.837 -7.559 -3.455 1.00 1.00 H new ATOM 166 N ASP A 11 3.542 -6.134 -4.470 1.00 1.00 N ATOM 167 CA ASP A 11 4.465 -6.088 -5.597 1.00 1.00 C ATOM 168 C ASP A 11 5.000 -4.677 -5.790 1.00 1.00 C ATOM 169 O ASP A 11 6.192 -4.477 -6.000 1.00 1.00 O ATOM 170 CB ASP A 11 3.754 -6.541 -6.866 1.00 1.00 C ATOM 171 CG ASP A 11 4.771 -6.802 -7.974 1.00 1.00 C ATOM 172 OD1 ASP A 11 5.916 -6.417 -7.802 1.00 1.00 O ATOM 173 OD2 ASP A 11 4.390 -7.385 -8.974 1.00 1.00 O ATOM 0 H ASP A 11 2.589 -6.409 -4.709 1.00 1.00 H new ATOM 0 HA ASP A 11 5.300 -6.756 -5.389 1.00 1.00 H new ATOM 0 HB2 ASP A 11 3.181 -7.447 -6.667 1.00 1.00 H new ATOM 0 HB3 ASP A 11 3.044 -5.778 -7.186 1.00 1.00 H new ATOM 178 N ILE A 12 4.115 -3.700 -5.728 1.00 1.00 N ATOM 179 CA ILE A 12 4.527 -2.317 -5.892 1.00 1.00 C ATOM 180 C ILE A 12 5.359 -1.864 -4.696 1.00 1.00 C ATOM 181 O ILE A 12 6.364 -1.173 -4.849 1.00 1.00 O ATOM 182 CB ILE A 12 3.292 -1.434 -6.026 1.00 1.00 C ATOM 183 CG1 ILE A 12 2.551 -1.809 -7.318 1.00 1.00 C ATOM 184 CG2 ILE A 12 3.725 0.037 -6.094 1.00 1.00 C ATOM 185 CD1 ILE A 12 1.112 -1.306 -7.247 1.00 1.00 C ATOM 0 H ILE A 12 3.117 -3.835 -5.567 1.00 1.00 H new ATOM 0 HA ILE A 12 5.137 -2.233 -6.791 1.00 1.00 H new ATOM 0 HB ILE A 12 2.636 -1.579 -5.168 1.00 1.00 H new ATOM 0 HG12 ILE A 12 3.057 -1.373 -8.179 1.00 1.00 H new ATOM 0 HG13 ILE A 12 2.563 -2.890 -7.455 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.844 0.672 -6.190 1.00 1.00 H new ATOM 0 HG22 ILE A 12 4.264 0.300 -5.184 1.00 1.00 H new ATOM 0 HG23 ILE A 12 4.375 0.186 -6.956 1.00 1.00 H new ATOM 0 HD11 ILE A 12 0.588 -1.573 -8.165 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.608 -1.763 -6.395 1.00 1.00 H new ATOM 0 HD13 ILE A 12 1.111 -0.222 -7.131 1.00 1.00 H new ATOM 197 N VAL A 13 4.910 -2.235 -3.499 1.00 1.00 N ATOM 198 CA VAL A 13 5.605 -1.833 -2.273 1.00 1.00 C ATOM 199 C VAL A 13 7.006 -2.428 -2.201 1.00 1.00 C ATOM 200 O VAL A 13 7.976 -1.721 -1.927 1.00 1.00 O ATOM 201 CB VAL A 13 4.799 -2.280 -1.046 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.604 -2.010 0.233 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.481 -1.507 -0.994 1.00 1.00 C ATOM 0 H VAL A 13 4.078 -2.806 -3.350 1.00 1.00 H new ATOM 0 HA VAL A 13 5.696 -0.747 -2.285 1.00 1.00 H new ATOM 0 HB VAL A 13 4.593 -3.348 -1.120 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.027 -2.329 1.101 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.542 -2.565 0.197 1.00 1.00 H new ATOM 0 HG13 VAL A 13 5.816 -0.944 0.311 1.00 1.00 H new ATOM 0 HG21 VAL A 13 2.908 -1.824 -0.123 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.688 -0.439 -0.924 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.906 -1.706 -1.899 1.00 1.00 H new ATOM 213 N LYS A 14 7.105 -3.723 -2.437 1.00 1.00 N ATOM 214 CA LYS A 14 8.394 -4.399 -2.380 1.00 1.00 C ATOM 215 C LYS A 14 9.309 -3.890 -3.487 1.00 1.00 C ATOM 216 O LYS A 14 10.527 -3.840 -3.331 1.00 1.00 O ATOM 217 CB LYS A 14 8.176 -5.916 -2.504 1.00 1.00 C ATOM 218 CG LYS A 14 8.015 -6.313 -3.976 1.00 1.00 C ATOM 219 CD LYS A 14 7.383 -7.703 -4.072 1.00 1.00 C ATOM 220 CE LYS A 14 8.298 -8.721 -3.399 1.00 1.00 C ATOM 221 NZ LYS A 14 7.884 -10.090 -3.808 1.00 1.00 N ATOM 0 H LYS A 14 6.316 -4.327 -2.669 1.00 1.00 H new ATOM 0 HA LYS A 14 8.875 -4.186 -1.425 1.00 1.00 H new ATOM 0 HB2 LYS A 14 9.021 -6.448 -2.067 1.00 1.00 H new ATOM 0 HB3 LYS A 14 7.289 -6.210 -1.942 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.391 -5.584 -4.493 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.986 -6.310 -4.471 1.00 1.00 H new ATOM 0 HD2 LYS A 14 6.404 -7.704 -3.592 1.00 1.00 H new ATOM 0 HD3 LYS A 14 7.226 -7.972 -5.117 1.00 1.00 H new ATOM 0 HE2 LYS A 14 9.335 -8.541 -3.683 1.00 1.00 H new ATOM 0 HE3 LYS A 14 8.242 -8.619 -2.315 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.504 -10.791 -3.353 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.900 -10.257 -3.516 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 7.959 -10.181 -4.841 1.00 1.00 H new ATOM 235 N GLU A 15 8.708 -3.532 -4.617 1.00 1.00 N ATOM 236 CA GLU A 15 9.481 -3.051 -5.751 1.00 1.00 C ATOM 237 C GLU A 15 10.083 -1.685 -5.454 1.00 1.00 C ATOM 238 O GLU A 15 11.236 -1.414 -5.786 1.00 1.00 O ATOM 239 CB GLU A 15 8.592 -2.969 -6.998 1.00 1.00 C ATOM 240 CG GLU A 15 9.435 -2.602 -8.225 1.00 1.00 C ATOM 241 CD GLU A 15 10.367 -3.757 -8.580 1.00 1.00 C ATOM 242 OE1 GLU A 15 10.198 -4.824 -8.014 1.00 1.00 O ATOM 243 OE2 GLU A 15 11.238 -3.557 -9.411 1.00 1.00 O ATOM 0 H GLU A 15 7.700 -3.566 -4.769 1.00 1.00 H new ATOM 0 HA GLU A 15 10.293 -3.755 -5.935 1.00 1.00 H new ATOM 0 HB2 GLU A 15 8.094 -3.925 -7.162 1.00 1.00 H new ATOM 0 HB3 GLU A 15 7.811 -2.224 -6.848 1.00 1.00 H new ATOM 0 HG2 GLU A 15 8.784 -2.376 -9.070 1.00 1.00 H new ATOM 0 HG3 GLU A 15 10.017 -1.703 -8.021 1.00 1.00 H new ATOM 250 N LYS A 16 9.289 -0.829 -4.841 1.00 1.00 N ATOM 251 CA LYS A 16 9.736 0.515 -4.512 1.00 1.00 C ATOM 252 C LYS A 16 10.777 0.495 -3.403 1.00 1.00 C ATOM 253 O LYS A 16 11.694 1.316 -3.381 1.00 1.00 O ATOM 254 CB LYS A 16 8.539 1.358 -4.078 1.00 1.00 C ATOM 255 CG LYS A 16 7.542 1.505 -5.245 1.00 1.00 C ATOM 256 CD LYS A 16 7.935 2.684 -6.159 1.00 1.00 C ATOM 257 CE LYS A 16 7.809 4.022 -5.412 1.00 1.00 C ATOM 258 NZ LYS A 16 9.155 4.451 -4.938 1.00 1.00 N ATOM 0 H LYS A 16 8.331 -1.038 -4.560 1.00 1.00 H new ATOM 0 HA LYS A 16 10.195 0.950 -5.400 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.046 0.891 -3.225 1.00 1.00 H new ATOM 0 HB3 LYS A 16 8.877 2.342 -3.752 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.516 0.583 -5.825 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.537 1.663 -4.853 1.00 1.00 H new ATOM 0 HD2 LYS A 16 8.959 2.553 -6.509 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.296 2.694 -7.042 1.00 1.00 H new ATOM 0 HE2 LYS A 16 7.384 4.780 -6.070 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.130 3.917 -4.566 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 9.121 4.633 -3.915 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 9.847 3.700 -5.133 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 9.438 5.320 -5.435 1.00 1.00 H new ATOM 272 N LEU A 17 10.616 -0.435 -2.469 1.00 1.00 N ATOM 273 CA LEU A 17 11.535 -0.535 -1.341 1.00 1.00 C ATOM 274 C LEU A 17 12.747 -1.384 -1.702 1.00 1.00 C ATOM 275 O LEU A 17 13.734 -1.410 -0.970 1.00 1.00 O ATOM 276 CB LEU A 17 10.808 -1.151 -0.145 1.00 1.00 C ATOM 277 CG LEU A 17 9.633 -0.248 0.274 1.00 1.00 C ATOM 278 CD1 LEU A 17 8.852 -0.930 1.401 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.151 1.125 0.754 1.00 1.00 C ATOM 0 H LEU A 17 9.865 -1.125 -2.469 1.00 1.00 H new ATOM 0 HA LEU A 17 11.883 0.466 -1.085 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.441 -2.144 -0.403 1.00 1.00 H new ATOM 0 HB3 LEU A 17 11.499 -1.274 0.689 1.00 1.00 H new ATOM 0 HG LEU A 17 8.981 -0.090 -0.585 1.00 1.00 H new ATOM 0 HD11 LEU A 17 8.019 -0.295 1.702 1.00 1.00 H new ATOM 0 HD12 LEU A 17 8.470 -1.889 1.050 1.00 1.00 H new ATOM 0 HD13 LEU A 17 9.511 -1.092 2.254 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.307 1.750 1.046 1.00 1.00 H new ATOM 0 HD22 LEU A 17 10.813 0.986 1.609 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.699 1.610 -0.054 1.00 1.00 H new ATOM 291 N ALA A 18 12.671 -2.073 -2.835 1.00 1.00 N ATOM 292 CA ALA A 18 13.776 -2.916 -3.276 1.00 1.00 C ATOM 293 C ALA A 18 13.418 -3.620 -4.578 1.00 1.00 C ATOM 294 O ALA A 18 12.369 -3.367 -5.156 1.00 1.00 O ATOM 295 CB ALA A 18 14.099 -3.956 -2.197 1.00 1.00 C ATOM 0 H ALA A 18 11.864 -2.065 -3.459 1.00 1.00 H new ATOM 0 HA ALA A 18 14.650 -2.287 -3.445 1.00 1.00 H new ATOM 0 HB1 ALA A 18 14.925 -4.583 -2.532 1.00 1.00 H new ATOM 0 HB2 ALA A 18 14.380 -3.448 -1.274 1.00 1.00 H new ATOM 0 HB3 ALA A 18 13.222 -4.577 -2.017 1.00 1.00 H new ATOM 301 N LEU A 19 14.296 -4.503 -5.031 1.00 1.00 N ATOM 302 CA LEU A 19 14.056 -5.241 -6.265 1.00 1.00 C ATOM 303 C LEU A 19 12.972 -6.293 -6.057 1.00 1.00 C ATOM 304 O LEU A 19 12.321 -6.726 -7.008 1.00 1.00 O ATOM 305 CB LEU A 19 15.350 -5.913 -6.722 1.00 1.00 C ATOM 306 CG LEU A 19 16.469 -4.869 -6.810 1.00 1.00 C ATOM 307 CD1 LEU A 19 17.776 -5.562 -7.207 1.00 1.00 C ATOM 308 CD2 LEU A 19 16.113 -3.800 -7.858 1.00 1.00 C ATOM 0 H LEU A 19 15.176 -4.726 -4.567 1.00 1.00 H new ATOM 0 HA LEU A 19 13.719 -4.543 -7.031 1.00 1.00 H new ATOM 0 HB2 LEU A 19 15.629 -6.701 -6.023 1.00 1.00 H new ATOM 0 HB3 LEU A 19 15.203 -6.386 -7.693 1.00 1.00 H new ATOM 0 HG LEU A 19 16.588 -4.387 -5.840 1.00 1.00 H new ATOM 0 HD11 LEU A 19 18.575 -4.823 -7.271 1.00 1.00 H new ATOM 0 HD12 LEU A 19 18.033 -6.311 -6.458 1.00 1.00 H new ATOM 0 HD13 LEU A 19 17.651 -6.046 -8.176 1.00 1.00 H new ATOM 0 HD21 LEU A 19 16.914 -3.063 -7.913 1.00 1.00 H new ATOM 0 HD22 LEU A 19 15.988 -4.273 -8.832 1.00 1.00 H new ATOM 0 HD23 LEU A 19 15.184 -3.306 -7.573 1.00 1.00 H new ATOM 320 N GLY A 20 12.786 -6.704 -4.805 1.00 1.00 N ATOM 321 CA GLY A 20 11.779 -7.709 -4.476 1.00 1.00 C ATOM 322 C GLY A 20 12.367 -9.111 -4.569 1.00 1.00 C ATOM 323 O GLY A 20 11.801 -10.069 -4.041 1.00 1.00 O ATOM 0 H GLY A 20 13.317 -6.359 -4.005 1.00 1.00 H new ATOM 0 HA2 GLY A 20 11.399 -7.535 -3.469 1.00 1.00 H new ATOM 0 HA3 GLY A 20 10.932 -7.619 -5.156 1.00 1.00 H new ATOM 327 N ALA A 21 13.506 -9.227 -5.246 1.00 1.00 N ATOM 328 CA ALA A 21 14.160 -10.521 -5.404 1.00 1.00 C ATOM 329 C ALA A 21 14.679 -11.034 -4.066 1.00 1.00 C ATOM 330 O ALA A 21 14.418 -12.174 -3.682 1.00 1.00 O ATOM 331 CB ALA A 21 15.323 -10.401 -6.389 1.00 1.00 C ATOM 0 H ALA A 21 13.991 -8.448 -5.690 1.00 1.00 H new ATOM 0 HA ALA A 21 13.426 -11.229 -5.789 1.00 1.00 H new ATOM 0 HB1 ALA A 21 15.806 -11.372 -6.501 1.00 1.00 H new ATOM 0 HB2 ALA A 21 14.947 -10.068 -7.357 1.00 1.00 H new ATOM 0 HB3 ALA A 21 16.046 -9.677 -6.012 1.00 1.00 H new ATOM 337 N ASP A 22 15.419 -10.181 -3.357 1.00 1.00 N ATOM 338 CA ASP A 22 15.979 -10.545 -2.055 1.00 1.00 C ATOM 339 C ASP A 22 15.083 -10.058 -0.924 1.00 1.00 C ATOM 340 O ASP A 22 15.403 -10.233 0.252 1.00 1.00 O ATOM 341 CB ASP A 22 17.372 -9.935 -1.896 1.00 1.00 C ATOM 342 CG ASP A 22 18.347 -10.614 -2.851 1.00 1.00 C ATOM 343 OD1 ASP A 22 18.005 -11.666 -3.366 1.00 1.00 O ATOM 344 OD2 ASP A 22 19.423 -10.075 -3.050 1.00 1.00 O ATOM 0 H ASP A 22 15.644 -9.234 -3.662 1.00 1.00 H new ATOM 0 HA ASP A 22 16.046 -11.632 -2.007 1.00 1.00 H new ATOM 0 HB2 ASP A 22 17.335 -8.865 -2.100 1.00 1.00 H new ATOM 0 HB3 ASP A 22 17.715 -10.052 -0.868 1.00 1.00 H new ATOM 349 N VAL A 23 13.959 -9.440 -1.288 1.00 1.00 N ATOM 350 CA VAL A 23 13.012 -8.922 -0.300 1.00 1.00 C ATOM 351 C VAL A 23 11.651 -9.581 -0.482 1.00 1.00 C ATOM 352 O VAL A 23 11.138 -9.670 -1.598 1.00 1.00 O ATOM 353 CB VAL A 23 12.870 -7.409 -0.456 1.00 1.00 C ATOM 354 CG1 VAL A 23 11.896 -6.878 0.598 1.00 1.00 C ATOM 355 CG2 VAL A 23 14.239 -6.749 -0.278 1.00 1.00 C ATOM 0 H VAL A 23 13.682 -9.286 -2.258 1.00 1.00 H new ATOM 0 HA VAL A 23 13.389 -9.149 0.697 1.00 1.00 H new ATOM 0 HB VAL A 23 12.486 -7.177 -1.449 1.00 1.00 H new ATOM 0 HG11 VAL A 23 11.794 -5.798 0.488 1.00 1.00 H new ATOM 0 HG12 VAL A 23 10.923 -7.350 0.465 1.00 1.00 H new ATOM 0 HG13 VAL A 23 12.277 -7.107 1.593 1.00 1.00 H new ATOM 0 HG21 VAL A 23 14.140 -5.669 -0.389 1.00 1.00 H new ATOM 0 HG22 VAL A 23 14.627 -6.978 0.715 1.00 1.00 H new ATOM 0 HG23 VAL A 23 14.927 -7.129 -1.033 1.00 1.00 H new ATOM 365 N VAL A 24 11.071 -10.042 0.625 1.00 1.00 N ATOM 366 CA VAL A 24 9.762 -10.697 0.596 1.00 1.00 C ATOM 367 C VAL A 24 8.767 -9.903 1.435 1.00 1.00 C ATOM 368 O VAL A 24 9.052 -9.537 2.576 1.00 1.00 O ATOM 369 CB VAL A 24 9.879 -12.121 1.150 1.00 1.00 C ATOM 370 CG1 VAL A 24 8.482 -12.730 1.319 1.00 1.00 C ATOM 371 CG2 VAL A 24 10.697 -12.977 0.181 1.00 1.00 C ATOM 0 H VAL A 24 11.486 -9.975 1.554 1.00 1.00 H new ATOM 0 HA VAL A 24 9.410 -10.740 -0.435 1.00 1.00 H new ATOM 0 HB VAL A 24 10.375 -12.091 2.120 1.00 1.00 H new ATOM 0 HG11 VAL A 24 8.572 -13.742 1.713 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.901 -12.121 2.012 1.00 1.00 H new ATOM 0 HG13 VAL A 24 7.979 -12.760 0.353 1.00 1.00 H new ATOM 0 HG21 VAL A 24 10.782 -13.990 0.573 1.00 1.00 H new ATOM 0 HG22 VAL A 24 10.201 -13.003 -0.789 1.00 1.00 H new ATOM 0 HG23 VAL A 24 11.692 -12.548 0.068 1.00 1.00 H new ATOM 381 N VAL A 25 7.596 -9.643 0.857 1.00 1.00 N ATOM 382 CA VAL A 25 6.544 -8.891 1.543 1.00 1.00 C ATOM 383 C VAL A 25 5.317 -9.775 1.741 1.00 1.00 C ATOM 384 O VAL A 25 4.904 -10.494 0.831 1.00 1.00 O ATOM 385 CB VAL A 25 6.164 -7.658 0.723 1.00 1.00 C ATOM 386 CG1 VAL A 25 4.972 -6.951 1.376 1.00 1.00 C ATOM 387 CG2 VAL A 25 7.361 -6.704 0.656 1.00 1.00 C ATOM 0 H VAL A 25 7.350 -9.942 -0.087 1.00 1.00 H new ATOM 0 HA VAL A 25 6.916 -8.572 2.517 1.00 1.00 H new ATOM 0 HB VAL A 25 5.887 -7.963 -0.286 1.00 1.00 H new ATOM 0 HG11 VAL A 25 4.704 -6.073 0.789 1.00 1.00 H new ATOM 0 HG12 VAL A 25 4.123 -7.633 1.418 1.00 1.00 H new ATOM 0 HG13 VAL A 25 5.240 -6.644 2.387 1.00 1.00 H new ATOM 0 HG21 VAL A 25 7.093 -5.824 0.072 1.00 1.00 H new ATOM 0 HG22 VAL A 25 7.640 -6.399 1.665 1.00 1.00 H new ATOM 0 HG23 VAL A 25 8.203 -7.210 0.184 1.00 1.00 H new ATOM 397 N THR A 26 4.738 -9.710 2.938 1.00 1.00 N ATOM 398 CA THR A 26 3.552 -10.503 3.271 1.00 1.00 C ATOM 399 C THR A 26 2.500 -9.633 3.953 1.00 1.00 C ATOM 400 O THR A 26 2.785 -8.518 4.391 1.00 1.00 O ATOM 401 CB THR A 26 3.949 -11.667 4.195 1.00 1.00 C ATOM 402 OG1 THR A 26 4.946 -11.226 5.107 1.00 1.00 O ATOM 403 CG2 THR A 26 4.496 -12.828 3.362 1.00 1.00 C ATOM 0 H THR A 26 5.071 -9.115 3.697 1.00 1.00 H new ATOM 0 HA THR A 26 3.127 -10.901 2.350 1.00 1.00 H new ATOM 0 HB THR A 26 3.072 -12.005 4.747 1.00 1.00 H new ATOM 0 HG1 THR A 26 5.199 -11.966 5.698 1.00 1.00 H new ATOM 0 HG21 THR A 26 4.775 -13.649 4.022 1.00 1.00 H new ATOM 0 HG22 THR A 26 3.731 -13.168 2.664 1.00 1.00 H new ATOM 0 HG23 THR A 26 5.372 -12.495 2.806 1.00 1.00 H new ATOM 411 N ALA A 27 1.284 -10.157 4.038 1.00 1.00 N ATOM 412 CA ALA A 27 0.191 -9.441 4.665 1.00 1.00 C ATOM 413 C ALA A 27 0.511 -9.152 6.126 1.00 1.00 C ATOM 414 O ALA A 27 -0.045 -8.233 6.724 1.00 1.00 O ATOM 415 CB ALA A 27 -1.083 -10.280 4.558 1.00 1.00 C ATOM 0 H ALA A 27 1.034 -11.078 3.678 1.00 1.00 H new ATOM 0 HA ALA A 27 0.045 -8.489 4.155 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -1.910 -9.747 5.028 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -1.315 -10.457 3.508 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -0.933 -11.235 5.062 1.00 1.00 H new ATOM 421 N ASP A 28 1.400 -9.954 6.697 1.00 1.00 N ATOM 422 CA ASP A 28 1.784 -9.787 8.097 1.00 1.00 C ATOM 423 C ASP A 28 2.933 -8.794 8.231 1.00 1.00 C ATOM 424 O ASP A 28 3.162 -8.239 9.306 1.00 1.00 O ATOM 425 CB ASP A 28 2.209 -11.133 8.685 1.00 1.00 C ATOM 426 CG ASP A 28 2.321 -11.026 10.202 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.852 -10.038 10.744 1.00 1.00 O ATOM 428 OD2 ASP A 28 2.877 -11.932 10.800 1.00 1.00 O ATOM 0 H ASP A 28 1.868 -10.723 6.218 1.00 1.00 H new ATOM 0 HA ASP A 28 0.922 -9.402 8.642 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.483 -11.901 8.419 1.00 1.00 H new ATOM 0 HB3 ASP A 28 3.166 -11.438 8.262 1.00 1.00 H new ATOM 433 N SER A 29 3.658 -8.574 7.138 1.00 1.00 N ATOM 434 CA SER A 29 4.782 -7.646 7.161 1.00 1.00 C ATOM 435 C SER A 29 4.283 -6.211 7.306 1.00 1.00 C ATOM 436 O SER A 29 3.282 -5.829 6.702 1.00 1.00 O ATOM 437 CB SER A 29 5.588 -7.780 5.868 1.00 1.00 C ATOM 438 OG SER A 29 6.325 -8.994 5.898 1.00 1.00 O ATOM 0 H SER A 29 3.490 -9.020 6.236 1.00 1.00 H new ATOM 0 HA SER A 29 5.417 -7.886 8.013 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.920 -7.768 5.007 1.00 1.00 H new ATOM 0 HB3 SER A 29 6.265 -6.933 5.758 1.00 1.00 H new ATOM 0 HG SER A 29 5.773 -9.721 5.542 1.00 1.00 H new ATOM 444 N GLU A 30 4.994 -5.419 8.108 1.00 1.00 N ATOM 445 CA GLU A 30 4.628 -4.018 8.329 1.00 1.00 C ATOM 446 C GLU A 30 5.473 -3.109 7.450 1.00 1.00 C ATOM 447 O GLU A 30 6.649 -3.374 7.229 1.00 1.00 O ATOM 448 CB GLU A 30 4.837 -3.649 9.797 1.00 1.00 C ATOM 449 CG GLU A 30 3.811 -4.386 10.656 1.00 1.00 C ATOM 450 CD GLU A 30 4.066 -4.102 12.130 1.00 1.00 C ATOM 451 OE1 GLU A 30 5.010 -3.385 12.421 1.00 1.00 O ATOM 452 OE2 GLU A 30 3.313 -4.603 12.949 1.00 1.00 O ATOM 0 H GLU A 30 5.826 -5.722 8.615 1.00 1.00 H new ATOM 0 HA GLU A 30 3.577 -3.887 8.070 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.847 -3.914 10.110 1.00 1.00 H new ATOM 0 HB3 GLU A 30 4.734 -2.572 9.931 1.00 1.00 H new ATOM 0 HG2 GLU A 30 2.804 -4.070 10.385 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.870 -5.458 10.468 1.00 1.00 H new ATOM 459 N PHE A 31 4.868 -2.036 6.956 1.00 1.00 N ATOM 460 CA PHE A 31 5.579 -1.099 6.093 1.00 1.00 C ATOM 461 C PHE A 31 6.886 -0.649 6.740 1.00 1.00 C ATOM 462 O PHE A 31 7.914 -0.538 6.070 1.00 1.00 O ATOM 463 CB PHE A 31 4.697 0.121 5.819 1.00 1.00 C ATOM 464 CG PHE A 31 3.577 -0.256 4.878 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.817 -0.327 3.500 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.296 -0.533 5.379 1.00 1.00 C ATOM 467 CE1 PHE A 31 2.780 -0.672 2.629 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.261 -0.877 4.501 1.00 1.00 C ATOM 469 CZ PHE A 31 1.504 -0.945 3.127 1.00 1.00 C ATOM 0 H PHE A 31 3.894 -1.793 7.136 1.00 1.00 H new ATOM 0 HA PHE A 31 5.812 -1.603 5.155 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.286 0.501 6.754 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.294 0.923 5.385 1.00 1.00 H new ATOM 0 HD1 PHE A 31 4.802 -0.115 3.111 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.108 -0.481 6.441 1.00 1.00 H new ATOM 0 HE1 PHE A 31 2.966 -0.728 1.567 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.275 -1.090 4.886 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.705 -1.209 2.450 1.00 1.00 H new ATOM 479 N SER A 32 6.843 -0.398 8.041 1.00 1.00 N ATOM 480 CA SER A 32 8.034 0.034 8.764 1.00 1.00 C ATOM 481 C SER A 32 9.126 -1.029 8.689 1.00 1.00 C ATOM 482 O SER A 32 10.301 -0.716 8.496 1.00 1.00 O ATOM 483 CB SER A 32 7.683 0.305 10.225 1.00 1.00 C ATOM 484 OG SER A 32 8.846 0.747 10.911 1.00 1.00 O ATOM 0 H SER A 32 6.004 -0.485 8.615 1.00 1.00 H new ATOM 0 HA SER A 32 8.405 0.949 8.302 1.00 1.00 H new ATOM 0 HB2 SER A 32 6.900 1.060 10.289 1.00 1.00 H new ATOM 0 HB3 SER A 32 7.293 -0.600 10.692 1.00 1.00 H new ATOM 0 HG SER A 32 8.625 0.924 11.849 1.00 1.00 H new ATOM 490 N LYS A 33 8.732 -2.288 8.844 1.00 1.00 N ATOM 491 CA LYS A 33 9.684 -3.394 8.793 1.00 1.00 C ATOM 492 C LYS A 33 10.364 -3.465 7.429 1.00 1.00 C ATOM 493 O LYS A 33 11.555 -3.763 7.335 1.00 1.00 O ATOM 494 CB LYS A 33 8.965 -4.714 9.072 1.00 1.00 C ATOM 495 CG LYS A 33 8.581 -4.782 10.552 1.00 1.00 C ATOM 496 CD LYS A 33 7.711 -6.020 10.808 1.00 1.00 C ATOM 497 CE LYS A 33 8.572 -7.290 10.791 1.00 1.00 C ATOM 498 NZ LYS A 33 7.777 -8.433 11.323 1.00 1.00 N ATOM 0 H LYS A 33 7.765 -2.569 9.005 1.00 1.00 H new ATOM 0 HA LYS A 33 10.445 -3.222 9.554 1.00 1.00 H new ATOM 0 HB2 LYS A 33 8.074 -4.794 8.450 1.00 1.00 H new ATOM 0 HB3 LYS A 33 9.610 -5.554 8.814 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.479 -4.824 11.168 1.00 1.00 H new ATOM 0 HG3 LYS A 33 8.040 -3.880 10.838 1.00 1.00 H new ATOM 0 HD2 LYS A 33 7.208 -5.926 11.771 1.00 1.00 H new ATOM 0 HD3 LYS A 33 6.933 -6.090 10.047 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.903 -7.505 9.775 1.00 1.00 H new ATOM 0 HE3 LYS A 33 9.468 -7.144 11.394 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 8.359 -9.295 11.312 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 7.482 -8.226 12.299 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 6.935 -8.576 10.730 1.00 1.00 H new ATOM 512 N LEU A 34 9.603 -3.198 6.376 1.00 1.00 N ATOM 513 CA LEU A 34 10.146 -3.245 5.023 1.00 1.00 C ATOM 514 C LEU A 34 11.192 -2.154 4.827 1.00 1.00 C ATOM 515 O LEU A 34 12.050 -2.255 3.950 1.00 1.00 O ATOM 516 CB LEU A 34 9.019 -3.064 4.005 1.00 1.00 C ATOM 517 CG LEU A 34 7.922 -4.107 4.249 1.00 1.00 C ATOM 518 CD1 LEU A 34 6.772 -3.879 3.266 1.00 1.00 C ATOM 519 CD2 LEU A 34 8.485 -5.526 4.073 1.00 1.00 C ATOM 0 H LEU A 34 8.615 -2.948 6.430 1.00 1.00 H new ATOM 0 HA LEU A 34 10.620 -4.215 4.874 1.00 1.00 H new ATOM 0 HB2 LEU A 34 8.602 -2.060 4.085 1.00 1.00 H new ATOM 0 HB3 LEU A 34 9.411 -3.166 2.993 1.00 1.00 H new ATOM 0 HG LEU A 34 7.554 -4.002 5.270 1.00 1.00 H new ATOM 0 HD11 LEU A 34 5.992 -4.621 3.440 1.00 1.00 H new ATOM 0 HD12 LEU A 34 6.361 -2.880 3.412 1.00 1.00 H new ATOM 0 HD13 LEU A 34 7.142 -3.974 2.245 1.00 1.00 H new ATOM 0 HD21 LEU A 34 7.695 -6.256 4.249 1.00 1.00 H new ATOM 0 HD22 LEU A 34 8.867 -5.643 3.059 1.00 1.00 H new ATOM 0 HD23 LEU A 34 9.294 -5.688 4.786 1.00 1.00 H new ATOM 531 N GLY A 35 11.123 -1.112 5.655 1.00 1.00 N ATOM 532 CA GLY A 35 12.077 -0.005 5.571 1.00 1.00 C ATOM 533 C GLY A 35 11.428 1.238 4.979 1.00 1.00 C ATOM 534 O GLY A 35 12.116 2.156 4.532 1.00 1.00 O ATOM 0 H GLY A 35 10.421 -1.011 6.388 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.463 0.222 6.565 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.928 -0.301 4.958 1.00 1.00 H new ATOM 538 N ALA A 36 10.099 1.270 4.985 1.00 1.00 N ATOM 539 CA ALA A 36 9.375 2.415 4.452 1.00 1.00 C ATOM 540 C ALA A 36 9.391 3.566 5.453 1.00 1.00 C ATOM 541 O ALA A 36 8.743 3.501 6.498 1.00 1.00 O ATOM 542 CB ALA A 36 7.928 2.024 4.153 1.00 1.00 C ATOM 0 H ALA A 36 9.508 0.523 5.350 1.00 1.00 H new ATOM 0 HA ALA A 36 9.864 2.735 3.532 1.00 1.00 H new ATOM 0 HB1 ALA A 36 7.393 2.886 3.755 1.00 1.00 H new ATOM 0 HB2 ALA A 36 7.913 1.217 3.420 1.00 1.00 H new ATOM 0 HB3 ALA A 36 7.444 1.689 5.071 1.00 1.00 H new ATOM 548 N ASP A 37 10.134 4.620 5.124 1.00 1.00 N ATOM 549 CA ASP A 37 10.230 5.791 5.993 1.00 1.00 C ATOM 550 C ASP A 37 9.184 6.826 5.611 1.00 1.00 C ATOM 551 O ASP A 37 8.270 6.546 4.834 1.00 1.00 O ATOM 552 CB ASP A 37 11.622 6.416 5.891 1.00 1.00 C ATOM 553 CG ASP A 37 11.918 6.804 4.447 1.00 1.00 C ATOM 554 OD1 ASP A 37 10.995 6.794 3.653 1.00 1.00 O ATOM 555 OD2 ASP A 37 13.062 7.103 4.157 1.00 1.00 O ATOM 0 H ASP A 37 10.678 4.688 4.264 1.00 1.00 H new ATOM 0 HA ASP A 37 10.054 5.467 7.019 1.00 1.00 H new ATOM 0 HB2 ASP A 37 11.682 7.296 6.532 1.00 1.00 H new ATOM 0 HB3 ASP A 37 12.373 5.711 6.247 1.00 1.00 H new ATOM 560 N SER A 38 9.321 8.021 6.166 1.00 1.00 N ATOM 561 CA SER A 38 8.377 9.095 5.880 1.00 1.00 C ATOM 562 C SER A 38 8.398 9.448 4.397 1.00 1.00 C ATOM 563 O SER A 38 7.349 9.583 3.767 1.00 1.00 O ATOM 564 CB SER A 38 8.732 10.334 6.704 1.00 1.00 C ATOM 0 H SER A 38 10.070 8.272 6.812 1.00 1.00 H new ATOM 0 HA SER A 38 7.377 8.753 6.146 1.00 1.00 H new ATOM 569 N LEU A 39 9.598 9.598 3.847 1.00 1.00 N ATOM 570 CA LEU A 39 9.744 9.942 2.437 1.00 1.00 C ATOM 571 C LEU A 39 9.211 8.822 1.549 1.00 1.00 C ATOM 572 O LEU A 39 8.519 9.071 0.563 1.00 1.00 O ATOM 573 CB LEU A 39 11.218 10.194 2.118 1.00 1.00 C ATOM 574 CG LEU A 39 11.697 11.464 2.841 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.219 11.575 2.706 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.022 12.721 2.249 1.00 1.00 C ATOM 0 H LEU A 39 10.478 9.488 4.351 1.00 1.00 H new ATOM 0 HA LEU A 39 9.167 10.845 2.240 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.818 9.339 2.429 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.353 10.304 1.042 1.00 1.00 H new ATOM 0 HG LEU A 39 11.423 11.396 3.894 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.565 12.474 3.217 1.00 1.00 H new ATOM 0 HD12 LEU A 39 13.689 10.699 3.154 1.00 1.00 H new ATOM 0 HD13 LEU A 39 13.488 11.631 1.651 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.376 13.607 2.776 1.00 1.00 H new ATOM 0 HD22 LEU A 39 11.272 12.804 1.191 1.00 1.00 H new ATOM 0 HD23 LEU A 39 9.941 12.640 2.361 1.00 1.00 H new ATOM 588 N ASP A 40 9.543 7.588 1.907 1.00 1.00 N ATOM 589 CA ASP A 40 9.097 6.435 1.138 1.00 1.00 C ATOM 590 C ASP A 40 7.580 6.319 1.182 1.00 1.00 C ATOM 591 O ASP A 40 6.941 6.090 0.159 1.00 1.00 O ATOM 592 CB ASP A 40 9.722 5.160 1.711 1.00 1.00 C ATOM 593 CG ASP A 40 11.213 5.126 1.395 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.632 5.871 0.525 1.00 1.00 O ATOM 595 OD2 ASP A 40 11.917 4.359 2.034 1.00 1.00 O ATOM 0 H ASP A 40 10.116 7.361 2.720 1.00 1.00 H new ATOM 0 HA ASP A 40 9.411 6.565 0.102 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.569 5.123 2.790 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.232 4.283 1.289 1.00 1.00 H new ATOM 600 N THR A 41 7.010 6.486 2.370 1.00 1.00 N ATOM 601 CA THR A 41 5.564 6.382 2.539 1.00 1.00 C ATOM 602 C THR A 41 4.837 7.165 1.455 1.00 1.00 C ATOM 603 O THR A 41 3.813 6.725 0.936 1.00 1.00 O ATOM 604 CB THR A 41 5.158 6.920 3.916 1.00 1.00 C ATOM 605 OG1 THR A 41 5.793 6.152 4.930 1.00 1.00 O ATOM 606 CG2 THR A 41 3.641 6.825 4.082 1.00 1.00 C ATOM 0 H THR A 41 7.523 6.693 3.227 1.00 1.00 H new ATOM 0 HA THR A 41 5.285 5.331 2.460 1.00 1.00 H new ATOM 0 HB THR A 41 5.465 7.963 4.000 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.694 6.503 5.091 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.358 7.209 5.062 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.152 7.415 3.306 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.330 5.784 3.996 1.00 1.00 H new ATOM 614 N VAL A 42 5.380 8.317 1.111 1.00 1.00 N ATOM 615 CA VAL A 42 4.784 9.155 0.076 1.00 1.00 C ATOM 616 C VAL A 42 4.845 8.443 -1.267 1.00 1.00 C ATOM 617 O VAL A 42 3.881 8.454 -2.033 1.00 1.00 O ATOM 618 CB VAL A 42 5.518 10.510 0.000 1.00 1.00 C ATOM 619 CG1 VAL A 42 5.197 11.217 -1.324 1.00 1.00 C ATOM 620 CG2 VAL A 42 5.066 11.405 1.159 1.00 1.00 C ATOM 0 H VAL A 42 6.230 8.697 1.528 1.00 1.00 H new ATOM 0 HA VAL A 42 3.740 9.340 0.328 1.00 1.00 H new ATOM 0 HB VAL A 42 6.591 10.328 0.062 1.00 1.00 H new ATOM 0 HG11 VAL A 42 5.722 12.172 -1.363 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.518 10.592 -2.157 1.00 1.00 H new ATOM 0 HG13 VAL A 42 4.123 11.390 -1.393 1.00 1.00 H new ATOM 0 HG21 VAL A 42 5.585 12.362 1.104 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.991 11.571 1.092 1.00 1.00 H new ATOM 0 HG23 VAL A 42 5.300 10.919 2.106 1.00 1.00 H new ATOM 630 N GLU A 43 5.986 7.842 -1.554 1.00 1.00 N ATOM 631 CA GLU A 43 6.161 7.149 -2.812 1.00 1.00 C ATOM 632 C GLU A 43 5.201 5.966 -2.914 1.00 1.00 C ATOM 633 O GLU A 43 4.650 5.697 -3.981 1.00 1.00 O ATOM 634 CB GLU A 43 7.604 6.653 -2.918 1.00 1.00 C ATOM 635 CG GLU A 43 8.554 7.845 -3.054 1.00 1.00 C ATOM 636 CD GLU A 43 9.999 7.357 -3.104 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.198 6.153 -3.119 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.886 8.196 -3.126 1.00 1.00 O ATOM 0 H GLU A 43 6.798 7.821 -0.937 1.00 1.00 H new ATOM 0 HA GLU A 43 5.945 7.839 -3.628 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.863 6.069 -2.035 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.709 5.993 -3.779 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.319 8.406 -3.958 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.420 8.525 -2.213 1.00 1.00 H new ATOM 645 N ILE A 44 5.010 5.263 -1.802 1.00 1.00 N ATOM 646 CA ILE A 44 4.121 4.111 -1.788 1.00 1.00 C ATOM 647 C ILE A 44 2.682 4.530 -2.062 1.00 1.00 C ATOM 648 O ILE A 44 2.002 3.945 -2.904 1.00 1.00 O ATOM 649 CB ILE A 44 4.189 3.418 -0.424 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.645 3.080 -0.072 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.365 2.141 -0.457 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.303 2.259 -1.181 1.00 1.00 C ATOM 0 H ILE A 44 5.455 5.470 -0.908 1.00 1.00 H new ATOM 0 HA ILE A 44 4.444 3.425 -2.571 1.00 1.00 H new ATOM 0 HB ILE A 44 3.788 4.092 0.333 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.207 4.000 0.086 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.676 2.523 0.864 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.415 1.650 0.515 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.328 2.383 -0.688 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.760 1.473 -1.222 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.333 2.034 -0.905 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.753 1.328 -1.320 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.293 2.828 -2.110 1.00 1.00 H new ATOM 664 N VAL A 45 2.224 5.546 -1.345 1.00 1.00 N ATOM 665 CA VAL A 45 0.865 6.028 -1.518 1.00 1.00 C ATOM 666 C VAL A 45 0.699 6.664 -2.892 1.00 1.00 C ATOM 667 O VAL A 45 -0.295 6.434 -3.577 1.00 1.00 O ATOM 668 CB VAL A 45 0.532 7.051 -0.434 1.00 1.00 C ATOM 669 CG1 VAL A 45 -0.909 7.535 -0.610 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.700 6.402 0.941 1.00 1.00 C ATOM 0 H VAL A 45 2.769 6.048 -0.644 1.00 1.00 H new ATOM 0 HA VAL A 45 0.183 5.182 -1.436 1.00 1.00 H new ATOM 0 HB VAL A 45 1.205 7.904 -0.515 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -1.145 8.265 0.164 1.00 1.00 H new ATOM 0 HG12 VAL A 45 -1.020 7.998 -1.591 1.00 1.00 H new ATOM 0 HG13 VAL A 45 -1.590 6.688 -0.529 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.463 7.129 1.718 1.00 1.00 H new ATOM 0 HG22 VAL A 45 0.027 5.549 1.025 1.00 1.00 H new ATOM 0 HG23 VAL A 45 1.730 6.065 1.061 1.00 1.00 H new ATOM 680 N MET A 46 1.673 7.474 -3.287 1.00 1.00 N ATOM 681 CA MET A 46 1.608 8.148 -4.577 1.00 1.00 C ATOM 682 C MET A 46 1.551 7.133 -5.714 1.00 1.00 C ATOM 683 O MET A 46 0.758 7.278 -6.645 1.00 1.00 O ATOM 684 CB MET A 46 2.832 9.046 -4.748 1.00 1.00 C ATOM 685 CG MET A 46 2.648 9.937 -5.979 1.00 1.00 C ATOM 686 SD MET A 46 4.088 11.019 -6.160 1.00 1.00 S ATOM 687 CE MET A 46 3.880 11.951 -4.620 1.00 1.00 C ATOM 0 H MET A 46 2.509 7.679 -2.739 1.00 1.00 H new ATOM 0 HA MET A 46 0.702 8.753 -4.608 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.971 9.661 -3.859 1.00 1.00 H new ATOM 0 HB3 MET A 46 3.729 8.437 -4.858 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.527 9.323 -6.871 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.742 10.534 -5.877 1.00 1.00 H new ATOM 0 HE1 MET A 46 3.969 13.018 -4.825 1.00 1.00 H new ATOM 0 HE2 MET A 46 2.896 11.744 -4.199 1.00 1.00 H new ATOM 0 HE3 MET A 46 4.649 11.653 -3.908 1.00 1.00 H new ATOM 697 N ASN A 47 2.393 6.106 -5.638 1.00 1.00 N ATOM 698 CA ASN A 47 2.417 5.080 -6.674 1.00 1.00 C ATOM 699 C ASN A 47 1.098 4.310 -6.705 1.00 1.00 C ATOM 700 O ASN A 47 0.543 4.054 -7.774 1.00 1.00 O ATOM 701 CB ASN A 47 3.578 4.113 -6.404 1.00 1.00 C ATOM 702 CG ASN A 47 4.892 4.731 -6.870 1.00 1.00 C ATOM 703 OD1 ASN A 47 5.558 4.189 -7.750 1.00 1.00 O ATOM 704 ND2 ASN A 47 5.300 5.850 -6.334 1.00 1.00 N ATOM 0 H ASN A 47 3.060 5.963 -4.879 1.00 1.00 H new ATOM 0 HA ASN A 47 2.555 5.561 -7.642 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.632 3.885 -5.340 1.00 1.00 H new ATOM 0 HB3 ASN A 47 3.405 3.171 -6.924 1.00 1.00 H new ATOM 0 HD21 ASN A 47 6.173 6.276 -6.645 1.00 1.00 H new ATOM 0 HD22 ASN A 47 4.746 6.298 -5.604 1.00 1.00 H new ATOM 711 N LEU A 48 0.601 3.939 -5.530 1.00 1.00 N ATOM 712 CA LEU A 48 -0.649 3.194 -5.441 1.00 1.00 C ATOM 713 C LEU A 48 -1.820 4.043 -5.920 1.00 1.00 C ATOM 714 O LEU A 48 -2.695 3.567 -6.640 1.00 1.00 O ATOM 715 CB LEU A 48 -0.883 2.741 -3.995 1.00 1.00 C ATOM 716 CG LEU A 48 0.162 1.686 -3.595 1.00 1.00 C ATOM 717 CD1 LEU A 48 0.162 1.528 -2.072 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.164 0.330 -4.237 1.00 1.00 C ATOM 0 H LEU A 48 1.041 4.140 -4.632 1.00 1.00 H new ATOM 0 HA LEU A 48 -0.577 2.317 -6.085 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -0.822 3.597 -3.323 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -1.886 2.327 -3.893 1.00 1.00 H new ATOM 0 HG LEU A 48 1.141 2.016 -3.942 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.901 0.781 -1.784 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.410 2.482 -1.607 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -0.826 1.208 -1.739 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.587 -0.402 -3.942 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.147 -0.003 -3.904 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.164 0.432 -5.322 1.00 1.00 H new ATOM 730 N GLU A 49 -1.831 5.305 -5.525 1.00 1.00 N ATOM 731 CA GLU A 49 -2.907 6.194 -5.929 1.00 1.00 C ATOM 732 C GLU A 49 -2.961 6.313 -7.444 1.00 1.00 C ATOM 733 O GLU A 49 -4.037 6.339 -8.042 1.00 1.00 O ATOM 734 CB GLU A 49 -2.703 7.575 -5.299 1.00 1.00 C ATOM 735 CG GLU A 49 -3.114 7.539 -3.823 1.00 1.00 C ATOM 736 CD GLU A 49 -2.799 8.877 -3.166 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.263 9.736 -3.846 1.00 1.00 O ATOM 738 OE2 GLU A 49 -3.102 9.025 -1.994 1.00 1.00 O ATOM 0 H GLU A 49 -1.118 5.732 -4.934 1.00 1.00 H new ATOM 0 HA GLU A 49 -3.853 5.778 -5.583 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -1.659 7.875 -5.388 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -3.295 8.319 -5.833 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.179 7.324 -3.738 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -2.585 6.737 -3.308 1.00 1.00 H new ATOM 745 N GLU A 50 -1.795 6.379 -8.058 1.00 1.00 N ATOM 746 CA GLU A 50 -1.714 6.491 -9.507 1.00 1.00 C ATOM 747 C GLU A 50 -2.057 5.163 -10.175 1.00 1.00 C ATOM 748 O GLU A 50 -2.715 5.137 -11.215 1.00 1.00 O ATOM 749 CB GLU A 50 -0.305 6.929 -9.929 1.00 1.00 C ATOM 750 CG GLU A 50 -0.327 7.458 -11.371 1.00 1.00 C ATOM 751 CD GLU A 50 -0.579 6.311 -12.347 1.00 1.00 C ATOM 752 OE1 GLU A 50 -0.072 5.229 -12.101 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.272 6.534 -13.327 1.00 1.00 O ATOM 0 H GLU A 50 -0.893 6.357 -7.581 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.437 7.241 -9.827 1.00 1.00 H new ATOM 0 HB2 GLU A 50 0.061 7.703 -9.255 1.00 1.00 H new ATOM 0 HB3 GLU A 50 0.384 6.088 -9.852 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.105 8.214 -11.477 1.00 1.00 H new ATOM 0 HG3 GLU A 50 0.622 7.942 -11.604 1.00 1.00 H new ATOM 760 N GLU A 51 -1.596 4.060 -9.586 1.00 1.00 N ATOM 761 CA GLU A 51 -1.854 2.747 -10.160 1.00 1.00 C ATOM 762 C GLU A 51 -3.323 2.369 -10.013 1.00 1.00 C ATOM 763 O GLU A 51 -3.938 1.857 -10.949 1.00 1.00 O ATOM 764 CB GLU A 51 -0.980 1.705 -9.464 1.00 1.00 C ATOM 765 CG GLU A 51 -1.067 0.374 -10.214 1.00 1.00 C ATOM 766 CD GLU A 51 -0.355 0.489 -11.556 1.00 1.00 C ATOM 767 OE1 GLU A 51 0.295 1.498 -11.778 1.00 1.00 O ATOM 768 OE2 GLU A 51 -0.469 -0.434 -12.345 1.00 1.00 O ATOM 0 H GLU A 51 -1.050 4.051 -8.724 1.00 1.00 H new ATOM 0 HA GLU A 51 -1.613 2.779 -11.223 1.00 1.00 H new ATOM 0 HB2 GLU A 51 0.054 2.048 -9.431 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -1.306 1.574 -8.432 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -0.614 -0.419 -9.619 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -2.111 0.101 -10.368 1.00 1.00 H new ATOM 775 N PHE A 52 -3.878 2.617 -8.832 1.00 1.00 N ATOM 776 CA PHE A 52 -5.275 2.289 -8.566 1.00 1.00 C ATOM 777 C PHE A 52 -6.177 3.453 -8.962 1.00 1.00 C ATOM 778 O PHE A 52 -7.402 3.334 -8.950 1.00 1.00 O ATOM 779 CB PHE A 52 -5.450 1.971 -7.077 1.00 1.00 C ATOM 780 CG PHE A 52 -4.897 0.597 -6.780 1.00 1.00 C ATOM 781 CD1 PHE A 52 -3.520 0.424 -6.614 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.760 -0.500 -6.662 1.00 1.00 C ATOM 783 CE1 PHE A 52 -3.001 -0.842 -6.332 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.241 -1.769 -6.380 1.00 1.00 C ATOM 785 CZ PHE A 52 -3.860 -1.940 -6.215 1.00 1.00 C ATOM 0 H PHE A 52 -3.385 3.042 -8.046 1.00 1.00 H new ATOM 0 HA PHE A 52 -5.556 1.417 -9.157 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -4.936 2.719 -6.473 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -6.505 2.015 -6.808 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -2.856 1.271 -6.704 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -6.824 -0.367 -6.788 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -1.937 -0.973 -6.204 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -5.905 -2.616 -6.290 1.00 1.00 H new ATOM 0 HZ PHE A 52 -3.459 -2.919 -5.998 1.00 1.00 H new ATOM 795 N GLY A 53 -5.565 4.574 -9.328 1.00 1.00 N ATOM 796 CA GLY A 53 -6.330 5.744 -9.743 1.00 1.00 C ATOM 797 C GLY A 53 -7.305 6.180 -8.653 1.00 1.00 C ATOM 798 O GLY A 53 -8.488 6.394 -8.915 1.00 1.00 O ATOM 0 H GLY A 53 -4.553 4.697 -9.346 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -5.650 6.563 -9.975 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -6.879 5.517 -10.657 1.00 1.00 H new ATOM 802 N ILE A 54 -6.795 6.309 -7.430 1.00 1.00 N ATOM 803 CA ILE A 54 -7.618 6.721 -6.289 1.00 1.00 C ATOM 804 C ILE A 54 -6.980 7.903 -5.566 1.00 1.00 C ATOM 805 O ILE A 54 -5.792 8.179 -5.734 1.00 1.00 O ATOM 806 CB ILE A 54 -7.791 5.549 -5.319 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.408 5.060 -4.851 1.00 1.00 C ATOM 808 CG2 ILE A 54 -8.527 4.410 -6.026 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.555 4.031 -3.720 1.00 1.00 C ATOM 0 H ILE A 54 -5.816 6.135 -7.201 1.00 1.00 H new ATOM 0 HA ILE A 54 -8.596 7.027 -6.660 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.370 5.873 -4.454 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -5.871 4.614 -5.688 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -5.814 5.906 -4.506 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -8.651 3.574 -5.337 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -9.506 4.758 -6.355 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -7.949 4.085 -6.891 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.568 3.696 -3.402 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.072 4.489 -2.877 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.130 3.177 -4.078 1.00 1.00 H new ATOM 821 N ASN A 55 -7.777 8.594 -4.753 1.00 1.00 N ATOM 822 CA ASN A 55 -7.291 9.746 -3.992 1.00 1.00 C ATOM 823 C ASN A 55 -7.736 9.644 -2.536 1.00 1.00 C ATOM 824 O ASN A 55 -8.930 9.685 -2.235 1.00 1.00 O ATOM 825 CB ASN A 55 -7.833 11.038 -4.614 1.00 1.00 C ATOM 826 CG ASN A 55 -9.286 10.842 -5.034 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.621 11.015 -6.205 1.00 1.00 O ATOM 828 ND2 ASN A 55 -10.174 10.489 -4.145 1.00 1.00 N ATOM 0 H ASN A 55 -8.762 8.377 -4.604 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.202 9.758 -4.024 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.760 11.856 -3.897 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -7.230 11.317 -5.478 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -11.147 10.356 -4.421 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.895 10.346 -3.174 1.00 1.00 H new ATOM 835 N VAL A 56 -6.766 9.514 -1.634 1.00 1.00 N ATOM 836 CA VAL A 56 -7.059 9.410 -0.206 1.00 1.00 C ATOM 837 C VAL A 56 -6.026 10.187 0.603 1.00 1.00 C ATOM 838 O VAL A 56 -4.852 10.248 0.238 1.00 1.00 O ATOM 839 CB VAL A 56 -7.051 7.942 0.226 1.00 1.00 C ATOM 840 CG1 VAL A 56 -5.736 7.290 -0.204 1.00 1.00 C ATOM 841 CG2 VAL A 56 -7.199 7.852 1.748 1.00 1.00 C ATOM 0 H VAL A 56 -5.773 9.478 -1.865 1.00 1.00 H new ATOM 0 HA VAL A 56 -8.046 9.833 -0.022 1.00 1.00 H new ATOM 0 HB VAL A 56 -7.884 7.421 -0.247 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -5.731 6.244 0.104 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -5.638 7.350 -1.288 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.901 7.811 0.265 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -7.193 6.806 2.053 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -6.370 8.374 2.226 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -8.140 8.312 2.050 1.00 1.00 H new ATOM 851 N ASP A 57 -6.474 10.771 1.706 1.00 1.00 N ATOM 852 CA ASP A 57 -5.587 11.535 2.572 1.00 1.00 C ATOM 853 C ASP A 57 -4.774 10.601 3.461 1.00 1.00 C ATOM 854 O ASP A 57 -5.241 9.527 3.840 1.00 1.00 O ATOM 855 CB ASP A 57 -6.401 12.491 3.444 1.00 1.00 C ATOM 856 CG ASP A 57 -6.958 13.629 2.596 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.501 13.786 1.476 1.00 1.00 O ATOM 858 OD2 ASP A 57 -7.836 14.326 3.078 1.00 1.00 O ATOM 0 H ASP A 57 -7.443 10.731 2.021 1.00 1.00 H new ATOM 0 HA ASP A 57 -4.905 12.109 1.945 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -7.218 11.952 3.924 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -5.774 12.893 4.239 1.00 1.00 H new ATOM 863 N GLU A 58 -3.559 11.019 3.789 1.00 1.00 N ATOM 864 CA GLU A 58 -2.683 10.218 4.637 1.00 1.00 C ATOM 865 C GLU A 58 -3.266 10.081 6.038 1.00 1.00 C ATOM 866 O GLU A 58 -3.141 9.037 6.678 1.00 1.00 O ATOM 867 CB GLU A 58 -1.296 10.864 4.716 1.00 1.00 C ATOM 868 CG GLU A 58 -1.353 12.158 5.539 1.00 1.00 C ATOM 869 CD GLU A 58 -2.423 13.089 4.981 1.00 1.00 C ATOM 870 OE1 GLU A 58 -2.403 13.334 3.786 1.00 1.00 O ATOM 871 OE2 GLU A 58 -3.251 13.541 5.757 1.00 1.00 O ATOM 0 H GLU A 58 -3.157 11.905 3.483 1.00 1.00 H new ATOM 0 HA GLU A 58 -2.595 9.224 4.197 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.589 10.169 5.169 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.931 11.080 3.712 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -1.570 11.925 6.581 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.382 12.654 5.519 1.00 1.00 H new ATOM 878 N ASP A 59 -3.885 11.156 6.512 1.00 1.00 N ATOM 879 CA ASP A 59 -4.471 11.164 7.847 1.00 1.00 C ATOM 880 C ASP A 59 -5.360 9.945 8.044 1.00 1.00 C ATOM 881 O ASP A 59 -5.473 9.419 9.147 1.00 1.00 O ATOM 882 CB ASP A 59 -5.293 12.436 8.049 1.00 1.00 C ATOM 883 CG ASP A 59 -6.275 12.618 6.898 1.00 1.00 C ATOM 884 OD1 ASP A 59 -6.411 11.699 6.110 1.00 1.00 O ATOM 885 OD2 ASP A 59 -6.873 13.678 6.817 1.00 1.00 O ATOM 0 H ASP A 59 -3.994 12.029 5.995 1.00 1.00 H new ATOM 0 HA ASP A 59 -3.664 11.135 8.579 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -5.835 12.381 8.993 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -4.631 13.299 8.111 1.00 1.00 H new ATOM 890 N LYS A 60 -5.984 9.501 6.963 1.00 1.00 N ATOM 891 CA LYS A 60 -6.855 8.333 7.014 1.00 1.00 C ATOM 892 C LYS A 60 -6.049 7.060 6.779 1.00 1.00 C ATOM 893 O LYS A 60 -6.538 5.955 7.015 1.00 1.00 O ATOM 894 CB LYS A 60 -7.948 8.452 5.956 1.00 1.00 C ATOM 895 CG LYS A 60 -8.922 9.554 6.363 1.00 1.00 C ATOM 896 CD LYS A 60 -10.028 9.658 5.318 1.00 1.00 C ATOM 897 CE LYS A 60 -11.056 10.699 5.762 1.00 1.00 C ATOM 898 NZ LYS A 60 -10.409 12.040 5.831 1.00 1.00 N ATOM 0 H LYS A 60 -5.905 9.930 6.041 1.00 1.00 H new ATOM 0 HA LYS A 60 -7.313 8.283 8.002 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.508 8.679 4.985 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.476 7.504 5.853 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -9.349 9.335 7.341 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.397 10.505 6.450 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -9.605 9.938 4.353 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.510 8.689 5.186 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.891 10.722 5.062 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -11.464 10.430 6.736 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -11.141 12.778 5.847 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -9.834 12.104 6.695 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.800 12.175 4.999 1.00 1.00 H new ATOM 912 N ALA A 61 -4.812 7.223 6.308 1.00 1.00 N ATOM 913 CA ALA A 61 -3.940 6.078 6.037 1.00 1.00 C ATOM 914 C ALA A 61 -3.041 5.779 7.234 1.00 1.00 C ATOM 915 O ALA A 61 -2.180 4.905 7.173 1.00 1.00 O ATOM 916 CB ALA A 61 -3.066 6.358 4.814 1.00 1.00 C ATOM 0 H ALA A 61 -4.393 8.131 6.107 1.00 1.00 H new ATOM 0 HA ALA A 61 -4.575 5.213 5.847 1.00 1.00 H new ATOM 0 HB1 ALA A 61 -2.422 5.500 4.623 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -3.701 6.536 3.946 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -2.451 7.238 5.000 1.00 1.00 H new ATOM 922 N GLN A 62 -3.238 6.520 8.317 1.00 1.00 N ATOM 923 CA GLN A 62 -2.435 6.333 9.524 1.00 1.00 C ATOM 924 C GLN A 62 -2.749 4.995 10.183 1.00 1.00 C ATOM 925 O GLN A 62 -1.859 4.326 10.710 1.00 1.00 O ATOM 926 CB GLN A 62 -2.709 7.469 10.510 1.00 1.00 C ATOM 927 CG GLN A 62 -4.195 7.487 10.874 1.00 1.00 C ATOM 928 CD GLN A 62 -4.550 8.818 11.526 1.00 1.00 C ATOM 929 OE1 GLN A 62 -4.066 9.926 11.030 1.00 1.00 O flip ATOM 930 NE2 GLN A 62 -5.285 8.853 12.513 1.00 1.00 N flip ATOM 0 H GLN A 62 -3.943 7.254 8.387 1.00 1.00 H new ATOM 0 HA GLN A 62 -1.382 6.341 9.241 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -2.106 7.337 11.408 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -2.421 8.423 10.070 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -4.800 7.337 9.980 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -4.422 6.666 11.554 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -5.662 7.987 12.899 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -5.517 9.748 12.945 1.00 1.00 H new ATOM 939 N ASP A 63 -4.020 4.613 10.156 1.00 1.00 N ATOM 940 CA ASP A 63 -4.445 3.356 10.759 1.00 1.00 C ATOM 941 C ASP A 63 -3.818 2.171 10.029 1.00 1.00 C ATOM 942 O ASP A 63 -3.981 1.023 10.438 1.00 1.00 O ATOM 943 CB ASP A 63 -5.972 3.242 10.708 1.00 1.00 C ATOM 944 CG ASP A 63 -6.603 4.222 11.692 1.00 1.00 C ATOM 945 OD1 ASP A 63 -5.887 4.720 12.546 1.00 1.00 O ATOM 946 OD2 ASP A 63 -7.795 4.459 11.579 1.00 1.00 O ATOM 0 H ASP A 63 -4.771 5.152 9.725 1.00 1.00 H new ATOM 0 HA ASP A 63 -4.115 3.343 11.798 1.00 1.00 H new ATOM 0 HB2 ASP A 63 -6.327 3.449 9.698 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -6.277 2.224 10.950 1.00 1.00 H new ATOM 951 N ILE A 64 -3.103 2.459 8.946 1.00 1.00 N ATOM 952 CA ILE A 64 -2.456 1.411 8.166 1.00 1.00 C ATOM 953 C ILE A 64 -1.164 0.973 8.840 1.00 1.00 C ATOM 954 O ILE A 64 -0.310 1.798 9.168 1.00 1.00 O ATOM 955 CB ILE A 64 -2.143 1.934 6.768 1.00 1.00 C ATOM 956 CG1 ILE A 64 -3.431 2.471 6.135 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.560 0.816 5.908 1.00 1.00 C ATOM 958 CD1 ILE A 64 -4.505 1.377 6.040 1.00 1.00 C ATOM 0 H ILE A 64 -2.958 3.404 8.590 1.00 1.00 H new ATOM 0 HA ILE A 64 -3.130 0.557 8.098 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.408 2.736 6.834 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.809 3.304 6.727 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.215 2.859 5.140 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.340 1.200 4.912 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.642 0.446 6.365 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.281 0.002 5.832 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.406 1.790 5.587 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.134 0.555 5.427 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.738 1.008 7.039 1.00 1.00 H new ATOM 970 N SER A 65 -1.028 -0.335 9.047 1.00 1.00 N ATOM 971 CA SER A 65 0.162 -0.896 9.689 1.00 1.00 C ATOM 972 C SER A 65 0.771 -1.993 8.824 1.00 1.00 C ATOM 973 O SER A 65 1.991 -2.144 8.757 1.00 1.00 O ATOM 974 CB SER A 65 -0.220 -1.475 11.048 1.00 1.00 C ATOM 975 OG SER A 65 -0.925 -2.697 10.864 1.00 1.00 O ATOM 0 H SER A 65 -1.727 -1.028 8.780 1.00 1.00 H new ATOM 0 HA SER A 65 0.898 -0.102 9.817 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.675 -1.646 11.646 1.00 1.00 H new ATOM 0 HB3 SER A 65 -0.839 -0.765 11.596 1.00 1.00 H new ATOM 0 HG SER A 65 -1.029 -3.148 11.728 1.00 1.00 H new ATOM 981 N THR A 66 -0.096 -2.762 8.170 1.00 1.00 N ATOM 982 CA THR A 66 0.345 -3.863 7.305 1.00 1.00 C ATOM 983 C THR A 66 -0.238 -3.716 5.905 1.00 1.00 C ATOM 984 O THR A 66 -1.071 -2.844 5.654 1.00 1.00 O ATOM 985 CB THR A 66 -0.080 -5.207 7.900 1.00 1.00 C ATOM 986 OG1 THR A 66 -1.498 -5.275 7.949 1.00 1.00 O ATOM 987 CG2 THR A 66 0.495 -5.357 9.311 1.00 1.00 C ATOM 0 H THR A 66 -1.108 -2.646 8.220 1.00 1.00 H new ATOM 0 HA THR A 66 1.432 -3.827 7.238 1.00 1.00 H new ATOM 0 HB THR A 66 0.300 -6.015 7.275 1.00 1.00 H new ATOM 0 HG1 THR A 66 -1.771 -6.136 8.328 1.00 1.00 H new ATOM 0 HG21 THR A 66 0.189 -6.316 9.729 1.00 1.00 H new ATOM 0 HG22 THR A 66 1.583 -5.311 9.267 1.00 1.00 H new ATOM 0 HG23 THR A 66 0.123 -4.551 9.943 1.00 1.00 H new ATOM 995 N ILE A 67 0.212 -4.571 4.992 1.00 1.00 N ATOM 996 CA ILE A 67 -0.258 -4.519 3.615 1.00 1.00 C ATOM 997 C ILE A 67 -1.762 -4.752 3.559 1.00 1.00 C ATOM 998 O ILE A 67 -2.481 -4.049 2.848 1.00 1.00 O ATOM 999 CB ILE A 67 0.451 -5.585 2.781 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.975 -5.443 2.924 1.00 1.00 C ATOM 1001 CG2 ILE A 67 0.039 -5.469 1.319 1.00 1.00 C ATOM 1002 CD1 ILE A 67 2.439 -4.029 2.546 1.00 1.00 C ATOM 0 H ILE A 67 0.897 -5.303 5.180 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.034 -3.532 3.211 1.00 1.00 H new ATOM 0 HB ILE A 67 0.159 -6.570 3.146 1.00 1.00 H new ATOM 0 HG12 ILE A 67 2.269 -5.663 3.950 1.00 1.00 H new ATOM 0 HG13 ILE A 67 2.472 -6.174 2.287 1.00 1.00 H new ATOM 0 HG21 ILE A 67 0.551 -6.234 0.735 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -1.039 -5.607 1.233 1.00 1.00 H new ATOM 0 HG23 ILE A 67 0.310 -4.483 0.942 1.00 1.00 H new ATOM 0 HD11 ILE A 67 3.521 -3.959 2.657 1.00 1.00 H new ATOM 0 HD12 ILE A 67 2.166 -3.821 1.511 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.959 -3.301 3.201 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.239 -5.735 4.312 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.665 -6.031 4.327 1.00 1.00 C ATOM 1016 C GLN A 68 -4.464 -4.773 4.670 1.00 1.00 C ATOM 1017 O GLN A 68 -5.475 -4.476 4.033 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.948 -7.135 5.370 1.00 1.00 C ATOM 1019 CG GLN A 68 -4.062 -8.499 4.683 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.437 -8.629 4.037 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.661 -8.068 2.883 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.339 -9.240 4.613 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.670 -6.332 4.911 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.969 -6.377 3.339 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.148 -7.159 6.110 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.871 -6.911 5.905 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.282 -8.604 3.929 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.913 -9.298 5.409 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.162 -9.679 5.517 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.263 -9.307 4.186 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.012 -4.041 5.678 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.713 -2.833 6.081 1.00 1.00 C ATOM 1033 C GLN A 69 -4.776 -1.855 4.917 1.00 1.00 C ATOM 1034 O GLN A 69 -5.801 -1.211 4.692 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.014 -2.183 7.279 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.101 -3.120 8.486 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.512 -2.441 9.717 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -3.169 -1.261 9.669 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -3.373 -3.119 10.823 1.00 1.00 N ATOM 0 H GLN A 69 -3.178 -4.258 6.223 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.728 -3.100 6.375 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.971 -1.977 7.038 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -4.482 -1.227 7.512 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.140 -3.391 8.672 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.563 -4.045 8.278 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.658 -4.098 10.861 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -2.979 -2.670 11.650 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.675 -1.747 4.180 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.623 -0.844 3.040 1.00 1.00 C ATOM 1050 C ALA A 70 -4.555 -1.326 1.930 1.00 1.00 C ATOM 1051 O ALA A 70 -5.254 -0.531 1.306 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.191 -0.759 2.506 1.00 1.00 C ATOM 0 H ALA A 70 -2.815 -2.269 4.351 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.948 0.144 3.368 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.160 -0.081 1.653 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.532 -0.386 3.290 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.859 -1.750 2.195 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.553 -2.634 1.691 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.398 -3.210 0.652 1.00 1.00 C ATOM 1060 C ALA A 71 -6.872 -3.047 1.000 1.00 1.00 C ATOM 1061 O ALA A 71 -7.701 -2.801 0.124 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.073 -4.693 0.475 1.00 1.00 C ATOM 0 H ALA A 71 -3.981 -3.309 2.198 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.200 -2.681 -0.280 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -5.709 -5.115 -0.303 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.027 -4.805 0.189 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.250 -5.219 1.413 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.191 -3.189 2.281 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.570 -3.061 2.736 1.00 1.00 C ATOM 1070 C ASP A 72 -9.100 -1.661 2.437 1.00 1.00 C ATOM 1071 O ASP A 72 -10.229 -1.496 1.976 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.647 -3.328 4.241 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.445 -4.814 4.522 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -8.547 -5.594 3.589 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.188 -5.151 5.666 1.00 1.00 O ATOM 0 H ASP A 72 -6.517 -3.392 3.020 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.182 -3.791 2.206 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.887 -2.745 4.761 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.614 -3.006 4.626 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.281 -0.654 2.702 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.681 0.721 2.441 1.00 1.00 C ATOM 1082 C VAL A 73 -8.745 0.983 0.940 1.00 1.00 C ATOM 1083 O VAL A 73 -9.682 1.613 0.449 1.00 1.00 O ATOM 1084 CB VAL A 73 -7.694 1.690 3.097 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -8.019 3.127 2.678 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -7.795 1.567 4.620 1.00 1.00 C ATOM 0 H VAL A 73 -7.345 -0.760 3.093 1.00 1.00 H new ATOM 0 HA VAL A 73 -9.672 0.879 2.866 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.682 1.443 2.776 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -7.313 3.812 3.148 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -7.944 3.216 1.594 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -9.032 3.378 2.993 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -7.093 2.257 5.088 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -8.809 1.810 4.938 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -7.556 0.547 4.919 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.729 0.515 0.218 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.676 0.728 -1.224 1.00 1.00 C ATOM 1098 C ILE A 74 -8.811 -0.004 -1.929 1.00 1.00 C ATOM 1099 O ILE A 74 -9.640 0.619 -2.583 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.334 0.228 -1.778 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.202 1.115 -1.254 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -6.347 0.279 -3.310 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -3.856 0.437 -1.525 1.00 1.00 C ATOM 0 H ILE A 74 -6.942 -0.007 0.603 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.780 1.797 -1.409 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.177 -0.801 -1.453 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.235 2.090 -1.740 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.326 1.288 -0.185 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -5.391 -0.077 -3.694 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -7.149 -0.355 -3.688 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -6.510 1.305 -3.639 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.049 1.068 -1.152 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -3.826 -0.528 -1.018 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -3.733 0.287 -2.598 1.00 1.00 H new ATOM 1115 N GLU A 75 -8.844 -1.321 -1.790 1.00 1.00 N ATOM 1116 CA GLU A 75 -9.879 -2.120 -2.435 1.00 1.00 C ATOM 1117 C GLU A 75 -11.257 -1.530 -2.169 1.00 1.00 C ATOM 1118 O GLU A 75 -12.134 -1.561 -3.032 1.00 1.00 O ATOM 1119 CB GLU A 75 -9.812 -3.562 -1.912 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.342 -3.625 -0.470 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.865 -3.728 -0.458 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.402 -4.420 -1.306 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -12.473 -3.123 0.412 1.00 1.00 O ATOM 0 H GLU A 75 -8.172 -1.857 -1.241 1.00 1.00 H new ATOM 0 HA GLU A 75 -9.709 -2.116 -3.512 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -10.401 -4.218 -2.553 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -8.784 -3.922 -1.946 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -9.911 -4.484 0.044 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.029 -2.736 0.077 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.445 -1.002 -0.966 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.726 -0.419 -0.594 1.00 1.00 C ATOM 1132 C GLY A 76 -13.075 0.750 -1.508 1.00 1.00 C ATOM 1133 O GLY A 76 -14.233 0.940 -1.872 1.00 1.00 O ATOM 0 H GLY A 76 -10.732 -0.966 -0.237 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.506 -1.178 -0.652 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.689 -0.079 0.441 1.00 1.00 H new ATOM 1137 N LEU A 77 -12.067 1.528 -1.873 1.00 1.00 N ATOM 1138 CA LEU A 77 -12.278 2.676 -2.749 1.00 1.00 C ATOM 1139 C LEU A 77 -12.729 2.226 -4.134 1.00 1.00 C ATOM 1140 O LEU A 77 -13.592 2.849 -4.746 1.00 1.00 O ATOM 1141 CB LEU A 77 -10.992 3.493 -2.861 1.00 1.00 C ATOM 1142 CG LEU A 77 -10.689 4.159 -1.511 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -9.276 4.742 -1.548 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -11.709 5.277 -1.203 1.00 1.00 C ATOM 0 H LEU A 77 -11.100 1.389 -1.580 1.00 1.00 H new ATOM 0 HA LEU A 77 -13.062 3.297 -2.316 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -10.164 2.848 -3.155 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -11.097 4.251 -3.637 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.763 3.408 -0.724 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -9.053 5.217 -0.593 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -8.558 3.943 -1.732 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -9.208 5.482 -2.345 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -11.471 5.732 -0.241 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -11.664 6.036 -1.984 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -12.713 4.854 -1.166 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.142 1.141 -4.621 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.491 0.620 -5.936 1.00 1.00 C ATOM 1158 C LEU A 78 -13.964 0.231 -5.982 1.00 1.00 C ATOM 1159 O LEU A 78 -14.587 0.250 -7.042 1.00 1.00 O ATOM 1160 CB LEU A 78 -11.611 -0.595 -6.255 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.247 -0.133 -6.803 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.394 0.486 -8.211 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -9.637 0.894 -5.841 1.00 1.00 C ATOM 0 H LEU A 78 -11.426 0.607 -4.129 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.319 1.395 -6.683 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -11.466 -1.195 -5.356 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.108 -1.232 -6.986 1.00 1.00 H new ATOM 0 HG LEU A 78 -9.591 -1.000 -6.884 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.416 0.803 -8.573 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.810 -0.256 -8.893 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.060 1.348 -8.162 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.672 1.224 -6.225 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.304 1.751 -5.753 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.501 0.438 -4.860 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.514 -0.134 -4.836 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.915 -0.525 -4.780 1.00 1.00 C ATOM 1177 C GLU A 79 -16.828 0.676 -5.032 1.00 1.00 C ATOM 1178 O GLU A 79 -17.804 0.575 -5.774 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.223 -1.132 -3.413 1.00 1.00 C ATOM 1180 CG GLU A 79 -15.404 -2.410 -3.226 1.00 1.00 C ATOM 1181 CD GLU A 79 -15.869 -3.480 -4.207 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.976 -3.356 -4.706 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -15.113 -4.408 -4.445 1.00 1.00 O ATOM 0 H GLU A 79 -14.022 -0.168 -3.943 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.100 -1.264 -5.559 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.987 -0.417 -2.624 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.287 -1.354 -3.333 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -14.346 -2.199 -3.381 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.510 -2.773 -2.204 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.510 1.810 -4.404 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.306 3.016 -4.551 1.00 1.00 C ATOM 1192 C LYS A 80 -16.758 3.911 -5.658 1.00 1.00 C ATOM 1193 O LYS A 80 -17.514 4.572 -6.371 1.00 1.00 O ATOM 1194 CB LYS A 80 -17.297 3.771 -3.227 1.00 1.00 C ATOM 1195 CG LYS A 80 -15.865 3.900 -2.689 1.00 1.00 C ATOM 1196 CD LYS A 80 -15.874 4.730 -1.389 1.00 1.00 C ATOM 1197 CE LYS A 80 -15.737 6.224 -1.709 1.00 1.00 C ATOM 1198 NZ LYS A 80 -14.346 6.501 -2.158 1.00 1.00 N ATOM 0 H LYS A 80 -15.703 1.912 -3.788 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.324 2.735 -4.823 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -17.731 4.762 -3.364 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -17.919 3.249 -2.500 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -15.447 2.912 -2.499 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -15.228 4.378 -3.433 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -16.800 4.552 -0.842 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -15.056 4.413 -0.742 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -16.446 6.509 -2.486 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -15.973 6.820 -0.828 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -14.362 7.205 -2.924 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -13.791 6.870 -1.360 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -13.912 5.622 -2.505 1.00 1.00 H new ATOM 1212 N LYS A 81 -15.441 3.928 -5.786 1.00 1.00 N ATOM 1213 CA LYS A 81 -14.779 4.744 -6.798 1.00 1.00 C ATOM 1214 C LYS A 81 -15.141 6.215 -6.618 1.00 1.00 C ATOM 1215 O LYS A 81 -14.353 6.998 -6.090 1.00 1.00 O ATOM 1216 CB LYS A 81 -15.195 4.284 -8.196 1.00 1.00 C ATOM 1217 CG LYS A 81 -14.926 2.788 -8.336 1.00 1.00 C ATOM 1218 CD LYS A 81 -15.238 2.342 -9.765 1.00 1.00 C ATOM 1219 CE LYS A 81 -14.925 0.852 -9.920 1.00 1.00 C ATOM 1220 NZ LYS A 81 -15.874 0.053 -9.095 1.00 1.00 N ATOM 0 H LYS A 81 -14.805 3.385 -5.201 1.00 1.00 H new ATOM 0 HA LYS A 81 -13.701 4.627 -6.683 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -16.252 4.492 -8.360 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -14.640 4.837 -8.954 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -13.885 2.571 -8.096 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -15.539 2.230 -7.628 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -16.287 2.529 -9.994 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -14.649 2.923 -10.474 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -15.004 0.561 -10.967 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -13.900 0.651 -9.610 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -15.936 -0.913 -9.475 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -15.535 0.018 -8.112 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -16.815 0.496 -9.121 1.00 1.00 H new ATOM 1234 N ALA A 82 -16.339 6.580 -7.059 1.00 1.00 N ATOM 1235 CA ALA A 82 -16.799 7.958 -6.942 1.00 1.00 C ATOM 1236 C ALA A 82 -17.132 8.288 -5.491 1.00 1.00 C ATOM 1237 O ALA A 82 -18.225 7.956 -5.064 1.00 1.00 O ATOM 1238 CB ALA A 82 -18.038 8.169 -7.813 1.00 1.00 C ATOM 1239 OXT ALA A 82 -16.290 8.870 -4.828 1.00 1.00 O ATOM 0 H ALA A 82 -17.006 5.945 -7.498 1.00 1.00 H new ATOM 0 HA ALA A 82 -16.001 8.619 -7.280 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -18.376 9.201 -7.721 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -17.791 7.960 -8.854 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -18.831 7.497 -7.486 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 7.869 11.405 6.340 1.00 1.00 O HETATM 1247 P24 PNS A 101 8.413 12.922 6.315 1.00 1.00 P HETATM 1248 O25 PNS A 101 9.389 13.048 5.210 1.00 1.00 O HETATM 1249 O26 PNS A 101 8.804 13.296 7.692 1.00 1.00 O HETATM 1250 O27 PNS A 101 7.098 13.761 5.923 1.00 1.00 O HETATM 1251 C28 PNS A 101 5.806 13.181 6.052 1.00 1.00 C HETATM 1252 C29 PNS A 101 4.762 14.296 6.192 1.00 1.00 C HETATM 1253 C30 PNS A 101 5.023 15.386 5.155 1.00 1.00 C HETATM 1254 C31 PNS A 101 4.844 14.886 7.605 1.00 1.00 C HETATM 1255 C32 PNS A 101 3.369 13.734 5.943 1.00 1.00 C HETATM 1256 O33 PNS A 101 3.300 13.298 4.594 1.00 1.00 O HETATM 1257 C34 PNS A 101 3.108 12.557 6.879 1.00 1.00 C HETATM 1258 O35 PNS A 101 3.362 11.404 6.527 1.00 1.00 O HETATM 1259 N36 PNS A 101 2.605 12.854 8.073 1.00 1.00 N HETATM 1260 C37 PNS A 101 2.318 11.810 9.054 1.00 1.00 C HETATM 1261 C38 PNS A 101 3.622 11.258 9.636 1.00 1.00 C HETATM 1262 C39 PNS A 101 3.317 10.280 10.765 1.00 1.00 C HETATM 1263 O40 PNS A 101 4.158 10.029 11.628 1.00 1.00 O HETATM 1264 N41 PNS A 101 2.107 9.729 10.752 1.00 1.00 N HETATM 1265 C42 PNS A 101 1.701 8.778 11.782 1.00 1.00 C HETATM 1266 C43 PNS A 101 2.347 7.416 11.528 1.00 1.00 C HETATM 1267 S44 PNS A 101 1.990 6.893 9.855 1.00 1.00 S HETATM 0 H432 PNS A 101 3.425 7.478 11.679 1.00 1.00 H new HETATM 0 H431 PNS A 101 1.967 6.682 12.239 1.00 1.00 H new HETATM 0 H422 PNS A 101 0.616 8.678 11.788 1.00 1.00 H new HETATM 0 H421 PNS A 101 1.992 9.149 12.765 1.00 1.00 H new HETATM 0 H382 PNS A 101 4.238 12.076 10.009 1.00 1.00 H new HETATM 0 H381 PNS A 101 4.195 10.758 8.855 1.00 1.00 H new HETATM 0 H372 PNS A 101 1.752 11.006 8.585 1.00 1.00 H new HETATM 0 H371 PNS A 101 1.696 12.213 9.854 1.00 1.00 H new HETATM 0 H313 PNS A 101 4.104 15.679 7.711 1.00 1.00 H new HETATM 0 H312 PNS A 101 5.841 15.294 7.771 1.00 1.00 H new HETATM 0 H311 PNS A 101 4.645 14.104 8.338 1.00 1.00 H new HETATM 0 H303 PNS A 101 4.278 16.174 5.260 1.00 1.00 H new HETATM 0 H302 PNS A 101 4.960 14.959 4.154 1.00 1.00 H new HETATM 0 H301 PNS A 101 6.018 15.804 5.309 1.00 1.00 H new HETATM 0 H282 PNS A 101 5.774 12.526 6.922 1.00 1.00 H new HETATM 0 H281 PNS A 101 5.583 12.565 5.181 1.00 1.00 H new HETATM 0 H41 PNS A 101 1.452 9.975 10.010 1.00 1.00 H new HETATM 0 H36 PNS A 101 2.416 13.828 8.309 1.00 1.00 H new HETATM 0 H33 PNS A 101 3.383 12.322 4.561 1.00 1.00 H new HETATM 0 H32 PNS A 101 2.617 14.501 6.131 1.00 1.00 H new HETATM 1288 C1 DKA A 102 2.683 5.372 9.372 1.00 1.00 C HETATM 1289 O1 DKA A 102 3.366 4.692 10.103 1.00 1.00 O HETATM 1290 C2 DKA A 102 2.327 5.024 7.958 1.00 1.00 C HETATM 1291 C3 DKA A 102 2.682 3.561 7.671 1.00 1.00 C HETATM 1292 C4 DKA A 102 1.939 3.087 6.419 1.00 1.00 C HETATM 1293 C5 DKA A 102 2.342 3.960 5.223 1.00 1.00 C HETATM 1294 C6 DKA A 102 1.899 3.300 3.911 1.00 1.00 C HETATM 1295 C7 DKA A 102 0.383 3.429 3.756 1.00 1.00 C HETATM 1296 C8 DKA A 102 -0.036 2.924 2.376 1.00 1.00 C HETATM 1297 C9 DKA A 102 -1.551 3.072 2.218 1.00 1.00 C HETATM 1298 C10 DKA A 102 -1.942 2.791 0.767 1.00 1.00 C HETATM 0 H103 DKA A 102 -1.438 3.500 0.110 1.00 1.00 H new HETATM 0 H102 DKA A 102 -1.647 1.776 0.501 1.00 1.00 H new HETATM 0 H101 DKA A 102 -3.021 2.896 0.654 1.00 1.00 H new HETATM 0 H92 DKA A 102 -2.066 2.381 2.885 1.00 1.00 H new HETATM 0 H91 DKA A 102 -1.860 4.078 2.501 1.00 1.00 H new HETATM 0 H82 DKA A 102 0.479 3.489 1.598 1.00 1.00 H new HETATM 0 H81 DKA A 102 0.253 1.880 2.256 1.00 1.00 H new HETATM 0 H72 DKA A 102 -0.122 2.855 4.533 1.00 1.00 H new HETATM 0 H71 DKA A 102 0.082 4.469 3.881 1.00 1.00 H new HETATM 0 H62 DKA A 102 2.402 3.772 3.067 1.00 1.00 H new HETATM 0 H61 DKA A 102 2.187 2.249 3.906 1.00 1.00 H new HETATM 0 H52 DKA A 102 1.887 4.946 5.314 1.00 1.00 H new HETATM 0 H51 DKA A 102 3.422 4.106 5.218 1.00 1.00 H new HETATM 0 H42 DKA A 102 2.176 2.042 6.216 1.00 1.00 H new HETATM 0 H41 DKA A 102 0.862 3.145 6.578 1.00 1.00 H new HETATM 0 H32 DKA A 102 3.758 3.459 7.528 1.00 1.00 H new HETATM 0 H31 DKA A 102 2.413 2.937 8.523 1.00 1.00 H new HETATM 0 H22 DKA A 102 1.262 5.187 7.792 1.00 1.00 H new HETATM 0 H21 DKA A 102 2.861 5.678 7.269 1.00 1.00 H new