USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot 180:sc= -0.0169 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.8 X(o=-0.82,f=-0.39) USER MOD Set 2.1: A 42 MET CE :methyl 171:sc= -2.83 (180deg=-1.51) USER MOD Set 2.2: A 61 MET CE :methyl -147:sc= -5.56! (180deg=-5.99!) USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0.313 USER MOD Set 3.2: A 64 THR OG1 : rot -78:sc= 0.311 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0802 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -4.42! C(o=-4.4!,f=-5.2!) USER MOD Single : A 23 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.858 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00131 USER MOD Single : A 43 GLN : amide:sc= -0.676 K(o=-0.68,f=0) USER MOD Single : A 44 THR OG1 : rot 113:sc= 0.932 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -2.28! USER MOD Single : A 50 THR OG1 : rot 17:sc= 0.255 USER MOD Single : A 57 ASN : amide:sc= -0.274 K(o=-0.27,f=-2.9!) USER MOD Single : A 58 GLN : amide:sc= -0.0723 K(o=-0.072,f=-0.89) USER MOD Single : A 60 GLN : amide:sc= -0.514 K(o=-0.51,f=-2.3!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -123:sc= -2.85 (180deg=-4.06!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0547) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 32:sc= 0.767 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.645 7.467 -29.726 1.00 0.00 N ATOM 2 CA GLY A 1 -8.935 7.624 -28.469 1.00 0.00 C ATOM 3 C GLY A 1 -9.913 7.768 -27.301 1.00 0.00 C ATOM 4 O GLY A 1 -11.088 8.071 -27.504 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.426 6.536 -30.135 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.669 7.539 -29.558 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.350 8.214 -30.387 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.288 6.762 -28.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.290 8.502 -28.518 1.00 0.00 H new ATOM 8 N SER A 2 -9.393 7.542 -26.104 1.00 0.00 N ATOM 9 CA SER A 2 -10.205 7.642 -24.903 1.00 0.00 C ATOM 10 C SER A 2 -9.641 8.722 -23.977 1.00 0.00 C ATOM 11 O SER A 2 -9.015 8.411 -22.965 1.00 0.00 O ATOM 12 CB SER A 2 -10.276 6.300 -24.172 1.00 0.00 C ATOM 13 OG SER A 2 -11.140 5.378 -24.832 1.00 0.00 O ATOM 0 H SER A 2 -8.418 7.290 -25.940 1.00 0.00 H new ATOM 0 HA SER A 2 -11.217 7.918 -25.198 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.276 5.872 -24.101 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.627 6.460 -23.153 1.00 0.00 H new ATOM 0 HG SER A 2 -11.157 4.533 -24.336 1.00 0.00 H new ATOM 19 N SER A 3 -9.881 9.968 -24.358 1.00 0.00 N ATOM 20 CA SER A 3 -9.405 11.095 -23.574 1.00 0.00 C ATOM 21 C SER A 3 -10.515 11.597 -22.650 1.00 0.00 C ATOM 22 O SER A 3 -10.369 11.576 -21.429 1.00 0.00 O ATOM 23 CB SER A 3 -8.915 12.227 -24.480 1.00 0.00 C ATOM 24 OG SER A 3 -8.379 13.315 -23.731 1.00 0.00 O ATOM 0 H SER A 3 -10.399 10.222 -25.199 1.00 0.00 H new ATOM 0 HA SER A 3 -8.563 10.759 -22.969 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.153 11.844 -25.159 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.741 12.583 -25.096 1.00 0.00 H new ATOM 0 HG SER A 3 -8.076 14.016 -24.344 1.00 0.00 H new ATOM 30 N GLY A 4 -11.602 12.036 -23.267 1.00 0.00 N ATOM 31 CA GLY A 4 -12.737 12.543 -22.515 1.00 0.00 C ATOM 32 C GLY A 4 -12.973 11.711 -21.253 1.00 0.00 C ATOM 33 O GLY A 4 -13.355 12.248 -20.214 1.00 0.00 O ATOM 0 H GLY A 4 -11.721 12.051 -24.280 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.561 13.583 -22.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.630 12.524 -23.140 1.00 0.00 H new ATOM 37 N SER A 5 -12.737 10.414 -21.384 1.00 0.00 N ATOM 38 CA SER A 5 -12.919 9.503 -20.267 1.00 0.00 C ATOM 39 C SER A 5 -12.033 9.930 -19.094 1.00 0.00 C ATOM 40 O SER A 5 -12.535 10.255 -18.019 1.00 0.00 O ATOM 41 CB SER A 5 -12.603 8.063 -20.674 1.00 0.00 C ATOM 42 OG SER A 5 -12.995 7.127 -19.673 1.00 0.00 O ATOM 0 H SER A 5 -12.421 9.972 -22.247 1.00 0.00 H new ATOM 0 HA SER A 5 -13.964 9.544 -19.959 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.114 7.830 -21.608 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.534 7.966 -20.862 1.00 0.00 H new ATOM 0 HG SER A 5 -12.778 6.219 -19.971 1.00 0.00 H new ATOM 48 N SER A 6 -10.732 9.915 -19.341 1.00 0.00 N ATOM 49 CA SER A 6 -9.772 10.296 -18.319 1.00 0.00 C ATOM 50 C SER A 6 -9.886 11.794 -18.026 1.00 0.00 C ATOM 51 O SER A 6 -9.633 12.231 -16.905 1.00 0.00 O ATOM 52 CB SER A 6 -8.345 9.946 -18.746 1.00 0.00 C ATOM 53 OG SER A 6 -8.147 10.125 -20.146 1.00 0.00 O ATOM 0 H SER A 6 -10.320 9.645 -20.234 1.00 0.00 H new ATOM 0 HA SER A 6 -9.999 9.736 -17.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.639 10.570 -18.197 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.130 8.911 -18.479 1.00 0.00 H new ATOM 0 HG SER A 6 -7.224 9.893 -20.378 1.00 0.00 H new ATOM 59 N GLY A 7 -10.267 12.538 -19.054 1.00 0.00 N ATOM 60 CA GLY A 7 -10.418 13.977 -18.921 1.00 0.00 C ATOM 61 C GLY A 7 -11.461 14.322 -17.856 1.00 0.00 C ATOM 62 O GLY A 7 -11.135 14.926 -16.835 1.00 0.00 O ATOM 0 H GLY A 7 -10.476 12.171 -19.983 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.460 14.424 -18.655 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.715 14.405 -19.878 1.00 0.00 H new ATOM 66 N SER A 8 -12.695 13.924 -18.130 1.00 0.00 N ATOM 67 CA SER A 8 -13.787 14.184 -17.208 1.00 0.00 C ATOM 68 C SER A 8 -13.665 13.278 -15.982 1.00 0.00 C ATOM 69 O SER A 8 -14.438 12.335 -15.823 1.00 0.00 O ATOM 70 CB SER A 8 -15.142 13.978 -17.888 1.00 0.00 C ATOM 71 OG SER A 8 -15.664 15.192 -18.420 1.00 0.00 O ATOM 0 H SER A 8 -12.962 13.423 -18.978 1.00 0.00 H new ATOM 0 HA SER A 8 -13.725 15.225 -16.889 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.038 13.247 -18.689 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.849 13.564 -17.169 1.00 0.00 H new ATOM 0 HG SER A 8 -16.529 15.017 -18.847 1.00 0.00 H new ATOM 77 N SER A 9 -12.687 13.595 -15.147 1.00 0.00 N ATOM 78 CA SER A 9 -12.453 12.821 -13.939 1.00 0.00 C ATOM 79 C SER A 9 -13.157 13.478 -12.751 1.00 0.00 C ATOM 80 O SER A 9 -14.007 12.862 -12.110 1.00 0.00 O ATOM 81 CB SER A 9 -10.956 12.680 -13.657 1.00 0.00 C ATOM 82 OG SER A 9 -10.665 11.518 -12.885 1.00 0.00 O ATOM 0 H SER A 9 -12.047 14.377 -15.283 1.00 0.00 H new ATOM 0 HA SER A 9 -12.863 11.822 -14.088 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.412 12.634 -14.601 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.602 13.565 -13.128 1.00 0.00 H new ATOM 0 HG SER A 9 -9.699 11.463 -12.728 1.00 0.00 H new ATOM 88 N PHE A 10 -12.778 14.721 -12.493 1.00 0.00 N ATOM 89 CA PHE A 10 -13.363 15.469 -11.393 1.00 0.00 C ATOM 90 C PHE A 10 -13.290 14.673 -10.089 1.00 0.00 C ATOM 91 O PHE A 10 -12.865 13.519 -10.085 1.00 0.00 O ATOM 92 CB PHE A 10 -14.832 15.711 -11.748 1.00 0.00 C ATOM 93 CG PHE A 10 -15.249 17.182 -11.704 1.00 0.00 C ATOM 94 CD1 PHE A 10 -15.000 17.992 -12.768 1.00 0.00 C ATOM 95 CD2 PHE A 10 -15.867 17.681 -10.600 1.00 0.00 C ATOM 96 CE1 PHE A 10 -15.387 19.357 -12.727 1.00 0.00 C ATOM 97 CE2 PHE A 10 -16.254 19.047 -10.559 1.00 0.00 C ATOM 98 CZ PHE A 10 -16.006 19.856 -11.623 1.00 0.00 C ATOM 0 H PHE A 10 -12.073 15.229 -13.027 1.00 0.00 H new ATOM 0 HA PHE A 10 -12.820 16.403 -11.248 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -15.023 15.320 -12.747 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.459 15.145 -11.059 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -14.508 17.596 -13.644 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -16.064 17.039 -9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -15.190 20.000 -13.572 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -16.745 19.443 -9.683 1.00 0.00 H new ATOM 0 HZ PHE A 10 -16.300 20.895 -11.592 1.00 0.00 H new ATOM 108 N GLN A 11 -13.711 15.321 -9.013 1.00 0.00 N ATOM 109 CA GLN A 11 -13.699 14.688 -7.705 1.00 0.00 C ATOM 110 C GLN A 11 -12.275 14.273 -7.330 1.00 0.00 C ATOM 111 O GLN A 11 -11.870 13.137 -7.575 1.00 0.00 O ATOM 112 CB GLN A 11 -14.647 13.488 -7.668 1.00 0.00 C ATOM 113 CG GLN A 11 -16.082 13.932 -7.374 1.00 0.00 C ATOM 114 CD GLN A 11 -16.995 12.725 -7.150 1.00 0.00 C ATOM 115 OE1 GLN A 11 -17.100 12.188 -6.059 1.00 0.00 O ATOM 116 NE2 GLN A 11 -17.647 12.329 -8.239 1.00 0.00 N ATOM 0 H GLN A 11 -14.063 16.278 -9.020 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.052 15.411 -6.970 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.613 12.964 -8.623 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.317 12.783 -6.905 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.095 14.571 -6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.459 14.528 -8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.514 12.823 -9.121 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.281 11.531 -8.192 1.00 0.00 H new ATOM 125 N GLY A 12 -11.554 15.216 -6.741 1.00 0.00 N ATOM 126 CA GLY A 12 -10.183 14.962 -6.330 1.00 0.00 C ATOM 127 C GLY A 12 -10.029 15.111 -4.815 1.00 0.00 C ATOM 128 O GLY A 12 -10.305 16.174 -4.260 1.00 0.00 O ATOM 0 H GLY A 12 -11.893 16.157 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.889 13.957 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.513 15.656 -6.837 1.00 0.00 H new ATOM 132 N PRO A 13 -9.579 14.001 -4.171 1.00 0.00 N ATOM 133 CA PRO A 13 -9.385 13.997 -2.731 1.00 0.00 C ATOM 134 C PRO A 13 -8.125 14.775 -2.346 1.00 0.00 C ATOM 135 O PRO A 13 -7.091 14.653 -3.001 1.00 0.00 O ATOM 136 CB PRO A 13 -9.317 12.528 -2.347 1.00 0.00 C ATOM 137 CG PRO A 13 -9.009 11.775 -3.631 1.00 0.00 C ATOM 138 CD PRO A 13 -9.243 12.724 -4.795 1.00 0.00 C ATOM 0 HA PRO A 13 -10.192 14.497 -2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.544 12.356 -1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.260 12.193 -1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.978 11.421 -3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.647 10.896 -3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.354 12.811 -5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.051 12.372 -5.437 1.00 0.00 H new ATOM 146 N LEU A 14 -8.252 15.556 -1.284 1.00 0.00 N ATOM 147 CA LEU A 14 -7.137 16.354 -0.803 1.00 0.00 C ATOM 148 C LEU A 14 -6.302 15.520 0.171 1.00 0.00 C ATOM 149 O LEU A 14 -5.073 15.541 0.117 1.00 0.00 O ATOM 150 CB LEU A 14 -7.637 17.673 -0.211 1.00 0.00 C ATOM 151 CG LEU A 14 -8.123 18.718 -1.218 1.00 0.00 C ATOM 152 CD1 LEU A 14 -9.645 18.859 -1.170 1.00 0.00 C ATOM 153 CD2 LEU A 14 -7.416 20.058 -1.001 1.00 0.00 C ATOM 0 H LEU A 14 -9.111 15.653 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.482 16.631 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.453 17.453 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.832 18.112 0.379 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.863 18.375 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.964 19.608 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.107 17.901 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.950 19.169 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.779 20.783 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.623 20.420 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.341 19.927 -1.125 1.00 0.00 H new ATOM 165 N ASP A 15 -7.003 14.806 1.040 1.00 0.00 N ATOM 166 CA ASP A 15 -6.342 13.967 2.025 1.00 0.00 C ATOM 167 C ASP A 15 -5.224 13.174 1.345 1.00 0.00 C ATOM 168 O ASP A 15 -4.050 13.349 1.666 1.00 0.00 O ATOM 169 CB ASP A 15 -7.321 12.968 2.644 1.00 0.00 C ATOM 170 CG ASP A 15 -8.329 13.572 3.623 1.00 0.00 C ATOM 171 OD1 ASP A 15 -8.258 14.804 3.823 1.00 0.00 O ATOM 172 OD2 ASP A 15 -9.148 12.789 4.150 1.00 0.00 O ATOM 0 H ASP A 15 -8.022 14.791 1.082 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.945 14.614 2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.868 12.474 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.751 12.197 3.163 1.00 0.00 H new ATOM 177 N ALA A 16 -5.629 12.318 0.418 1.00 0.00 N ATOM 178 CA ALA A 16 -4.676 11.497 -0.310 1.00 0.00 C ATOM 179 C ALA A 16 -4.291 10.289 0.546 1.00 0.00 C ATOM 180 O ALA A 16 -3.132 9.877 0.559 1.00 0.00 O ATOM 181 CB ALA A 16 -3.464 12.346 -0.700 1.00 0.00 C ATOM 0 H ALA A 16 -6.604 12.175 0.154 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.120 11.120 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.749 11.730 -1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.787 13.173 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.991 12.740 0.200 1.00 0.00 H new ATOM 187 N THR A 17 -5.284 9.756 1.241 1.00 0.00 N ATOM 188 CA THR A 17 -5.064 8.604 2.098 1.00 0.00 C ATOM 189 C THR A 17 -5.620 7.338 1.443 1.00 0.00 C ATOM 190 O THR A 17 -6.710 7.357 0.873 1.00 0.00 O ATOM 191 CB THR A 17 -5.685 8.904 3.464 1.00 0.00 C ATOM 192 OG1 THR A 17 -4.905 9.984 3.970 1.00 0.00 O ATOM 193 CG2 THR A 17 -5.458 7.776 4.472 1.00 0.00 C ATOM 0 H THR A 17 -6.244 10.101 1.228 1.00 0.00 H new ATOM 0 HA THR A 17 -4.000 8.417 2.243 1.00 0.00 H new ATOM 0 HB THR A 17 -6.755 9.075 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.240 10.244 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.919 8.040 5.424 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.905 6.856 4.095 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.388 7.627 4.616 1.00 0.00 H new ATOM 201 N VAL A 18 -4.846 6.267 1.547 1.00 0.00 N ATOM 202 CA VAL A 18 -5.248 4.995 0.971 1.00 0.00 C ATOM 203 C VAL A 18 -5.000 3.879 1.989 1.00 0.00 C ATOM 204 O VAL A 18 -4.142 4.009 2.860 1.00 0.00 O ATOM 205 CB VAL A 18 -4.519 4.767 -0.355 1.00 0.00 C ATOM 206 CG1 VAL A 18 -4.874 5.856 -1.369 1.00 0.00 C ATOM 207 CG2 VAL A 18 -3.006 4.687 -0.142 1.00 0.00 C ATOM 0 H VAL A 18 -3.943 6.254 2.021 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.314 4.998 0.744 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.851 3.811 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.343 5.671 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.948 5.845 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.584 6.830 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.512 4.525 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.650 5.620 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.776 3.860 0.530 1.00 0.00 H new ATOM 217 N VAL A 19 -5.768 2.809 1.844 1.00 0.00 N ATOM 218 CA VAL A 19 -5.643 1.672 2.740 1.00 0.00 C ATOM 219 C VAL A 19 -4.869 0.556 2.035 1.00 0.00 C ATOM 220 O VAL A 19 -5.169 0.214 0.892 1.00 0.00 O ATOM 221 CB VAL A 19 -7.026 1.229 3.220 1.00 0.00 C ATOM 222 CG1 VAL A 19 -7.940 0.908 2.036 1.00 0.00 C ATOM 223 CG2 VAL A 19 -6.920 0.035 4.171 1.00 0.00 C ATOM 0 H VAL A 19 -6.479 2.706 1.120 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.078 1.948 3.630 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.471 2.057 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.917 0.596 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.054 1.795 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.501 0.104 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.917 -0.260 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.445 -0.800 3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.322 0.313 5.039 1.00 0.00 H new ATOM 233 N VAL A 20 -3.888 0.019 2.746 1.00 0.00 N ATOM 234 CA VAL A 20 -3.070 -1.051 2.202 1.00 0.00 C ATOM 235 C VAL A 20 -3.379 -2.352 2.947 1.00 0.00 C ATOM 236 O VAL A 20 -3.408 -2.376 4.176 1.00 0.00 O ATOM 237 CB VAL A 20 -1.591 -0.663 2.266 1.00 0.00 C ATOM 238 CG1 VAL A 20 -0.694 -1.875 2.008 1.00 0.00 C ATOM 239 CG2 VAL A 20 -1.279 0.469 1.285 1.00 0.00 C ATOM 0 H VAL A 20 -3.642 0.305 3.694 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.305 -1.214 1.150 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.383 -0.301 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.352 -1.571 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.888 -2.638 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.906 -2.280 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.222 0.726 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.512 0.146 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.881 1.343 1.535 1.00 0.00 H new ATOM 249 N ASN A 21 -3.601 -3.402 2.170 1.00 0.00 N ATOM 250 CA ASN A 21 -3.906 -4.703 2.741 1.00 0.00 C ATOM 251 C ASN A 21 -3.277 -5.796 1.874 1.00 0.00 C ATOM 252 O ASN A 21 -2.816 -5.526 0.766 1.00 0.00 O ATOM 253 CB ASN A 21 -5.416 -4.945 2.783 1.00 0.00 C ATOM 254 CG ASN A 21 -6.055 -4.220 3.970 1.00 0.00 C ATOM 255 OD1 ASN A 21 -6.242 -4.774 5.041 1.00 0.00 O ATOM 256 ND2 ASN A 21 -6.376 -2.954 3.720 1.00 0.00 N ATOM 0 H ASN A 21 -3.576 -3.378 1.151 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.508 -4.728 3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.869 -4.599 1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.615 -6.014 2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.807 -2.384 4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.191 -2.553 2.800 1.00 0.00 H new ATOM 263 N LEU A 22 -3.277 -7.007 2.412 1.00 0.00 N ATOM 264 CA LEU A 22 -2.712 -8.141 1.701 1.00 0.00 C ATOM 265 C LEU A 22 -3.834 -9.107 1.316 1.00 0.00 C ATOM 266 O LEU A 22 -4.649 -9.485 2.157 1.00 0.00 O ATOM 267 CB LEU A 22 -1.599 -8.790 2.527 1.00 0.00 C ATOM 268 CG LEU A 22 -0.290 -8.003 2.622 1.00 0.00 C ATOM 269 CD1 LEU A 22 0.611 -8.571 3.721 1.00 0.00 C ATOM 270 CD2 LEU A 22 0.420 -7.953 1.268 1.00 0.00 C ATOM 0 H LEU A 22 -3.659 -7.227 3.332 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.241 -7.813 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.973 -8.958 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.381 -9.769 2.101 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.528 -6.976 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.535 -7.994 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.097 -8.512 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.844 -9.612 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.347 -7.388 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.646 -8.967 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.226 -7.468 0.536 1.00 0.00 H new ATOM 282 N GLN A 23 -3.841 -9.479 0.044 1.00 0.00 N ATOM 283 CA GLN A 23 -4.850 -10.394 -0.462 1.00 0.00 C ATOM 284 C GLN A 23 -4.786 -11.725 0.290 1.00 0.00 C ATOM 285 O GLN A 23 -5.754 -12.125 0.935 1.00 0.00 O ATOM 286 CB GLN A 23 -4.690 -10.607 -1.969 1.00 0.00 C ATOM 287 CG GLN A 23 -5.064 -9.342 -2.744 1.00 0.00 C ATOM 288 CD GLN A 23 -5.859 -9.688 -4.006 1.00 0.00 C ATOM 289 OE1 GLN A 23 -5.838 -10.804 -4.498 1.00 0.00 O ATOM 290 NE2 GLN A 23 -6.558 -8.670 -4.500 1.00 0.00 N ATOM 0 H GLN A 23 -3.164 -9.163 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.831 -9.951 -0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.660 -10.884 -2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.321 -11.435 -2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.654 -8.682 -2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.160 -8.798 -3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.531 -7.761 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.121 -8.798 -5.341 1.00 0.00 H new ATOM 299 N SER A 24 -3.636 -12.374 0.182 1.00 0.00 N ATOM 300 CA SER A 24 -3.433 -13.651 0.843 1.00 0.00 C ATOM 301 C SER A 24 -2.180 -13.593 1.720 1.00 0.00 C ATOM 302 O SER A 24 -1.132 -14.118 1.348 1.00 0.00 O ATOM 303 CB SER A 24 -3.315 -14.787 -0.175 1.00 0.00 C ATOM 304 OG SER A 24 -3.772 -16.028 0.354 1.00 0.00 O ATOM 0 H SER A 24 -2.835 -12.039 -0.354 1.00 0.00 H new ATOM 0 HA SER A 24 -4.301 -13.852 1.471 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.893 -14.538 -1.065 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.276 -14.887 -0.488 1.00 0.00 H new ATOM 0 HG SER A 24 -3.682 -16.727 -0.327 1.00 0.00 H new ATOM 310 N PRO A 25 -2.335 -12.934 2.900 1.00 0.00 N ATOM 311 CA PRO A 25 -1.229 -12.800 3.833 1.00 0.00 C ATOM 312 C PRO A 25 -0.966 -14.118 4.565 1.00 0.00 C ATOM 313 O PRO A 25 -1.856 -14.960 4.672 1.00 0.00 O ATOM 314 CB PRO A 25 -1.637 -11.673 4.767 1.00 0.00 C ATOM 315 CG PRO A 25 -3.143 -11.531 4.616 1.00 0.00 C ATOM 316 CD PRO A 25 -3.561 -12.300 3.374 1.00 0.00 C ATOM 0 HA PRO A 25 -0.286 -12.567 3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.368 -11.903 5.798 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.129 -10.745 4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.653 -11.921 5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.420 -10.481 4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.326 -13.041 3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.980 -11.635 2.619 1.00 0.00 H new ATOM 324 N THR A 26 0.259 -14.255 5.049 1.00 0.00 N ATOM 325 CA THR A 26 0.650 -15.456 5.767 1.00 0.00 C ATOM 326 C THR A 26 0.414 -15.280 7.268 1.00 0.00 C ATOM 327 O THR A 26 -0.274 -14.351 7.687 1.00 0.00 O ATOM 328 CB THR A 26 2.106 -15.766 5.413 1.00 0.00 C ATOM 329 OG1 THR A 26 2.811 -14.581 5.772 1.00 0.00 O ATOM 330 CG2 THR A 26 2.328 -15.889 3.904 1.00 0.00 C ATOM 0 H THR A 26 0.994 -13.554 4.958 1.00 0.00 H new ATOM 0 HA THR A 26 0.040 -16.310 5.472 1.00 0.00 H new ATOM 0 HB THR A 26 2.409 -16.692 5.901 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.671 -14.557 5.303 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.377 -16.109 3.707 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.708 -16.694 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.057 -14.951 3.419 1.00 0.00 H new ATOM 338 N LEU A 27 0.999 -16.187 8.037 1.00 0.00 N ATOM 339 CA LEU A 27 0.861 -16.144 9.483 1.00 0.00 C ATOM 340 C LEU A 27 1.576 -14.903 10.022 1.00 0.00 C ATOM 341 O LEU A 27 1.103 -14.270 10.965 1.00 0.00 O ATOM 342 CB LEU A 27 1.347 -17.453 10.107 1.00 0.00 C ATOM 343 CG LEU A 27 0.342 -18.607 10.114 1.00 0.00 C ATOM 344 CD1 LEU A 27 0.967 -19.882 9.545 1.00 0.00 C ATOM 345 CD2 LEU A 27 -0.232 -18.826 11.515 1.00 0.00 C ATOM 0 H LEU A 27 1.570 -16.956 7.686 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.189 -16.055 9.763 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.239 -17.778 9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.647 -17.253 11.136 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.490 -18.339 9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.232 -20.686 9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.287 -19.704 8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.829 -20.166 10.149 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.943 -19.652 11.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.577 -19.063 12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.739 -17.920 11.846 1.00 0.00 H new ATOM 357 N GLU A 28 2.704 -14.592 9.400 1.00 0.00 N ATOM 358 CA GLU A 28 3.488 -13.439 9.806 1.00 0.00 C ATOM 359 C GLU A 28 2.740 -12.145 9.477 1.00 0.00 C ATOM 360 O GLU A 28 2.979 -11.110 10.097 1.00 0.00 O ATOM 361 CB GLU A 28 4.869 -13.455 9.147 1.00 0.00 C ATOM 362 CG GLU A 28 4.749 -13.501 7.623 1.00 0.00 C ATOM 363 CD GLU A 28 6.021 -12.975 6.956 1.00 0.00 C ATOM 364 OE1 GLU A 28 7.110 -13.295 7.480 1.00 0.00 O ATOM 365 OE2 GLU A 28 5.877 -12.266 5.937 1.00 0.00 O ATOM 0 H GLU A 28 3.093 -15.119 8.618 1.00 0.00 H new ATOM 0 HA GLU A 28 3.635 -13.487 10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.428 -12.568 9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.433 -14.320 9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.562 -14.525 7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.894 -12.905 7.304 1.00 0.00 H new ATOM 372 N GLU A 29 1.848 -12.247 8.503 1.00 0.00 N ATOM 373 CA GLU A 29 1.063 -11.098 8.084 1.00 0.00 C ATOM 374 C GLU A 29 -0.281 -11.079 8.814 1.00 0.00 C ATOM 375 O GLU A 29 -0.741 -10.025 9.249 1.00 0.00 O ATOM 376 CB GLU A 29 0.863 -11.093 6.567 1.00 0.00 C ATOM 377 CG GLU A 29 2.124 -10.607 5.850 1.00 0.00 C ATOM 378 CD GLU A 29 2.433 -11.480 4.632 1.00 0.00 C ATOM 379 OE1 GLU A 29 1.533 -11.595 3.772 1.00 0.00 O ATOM 380 OE2 GLU A 29 3.563 -12.014 4.588 1.00 0.00 O ATOM 0 H GLU A 29 1.651 -13.107 7.992 1.00 0.00 H new ATOM 0 HA GLU A 29 1.611 -10.193 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.611 -12.097 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.022 -10.449 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.992 -9.572 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.968 -10.626 6.539 1.00 0.00 H new ATOM 387 N LYS A 30 -0.874 -12.259 8.926 1.00 0.00 N ATOM 388 CA LYS A 30 -2.157 -12.392 9.596 1.00 0.00 C ATOM 389 C LYS A 30 -2.036 -11.865 11.028 1.00 0.00 C ATOM 390 O LYS A 30 -3.034 -11.488 11.640 1.00 0.00 O ATOM 391 CB LYS A 30 -2.658 -13.835 9.512 1.00 0.00 C ATOM 392 CG LYS A 30 -3.691 -13.991 8.393 1.00 0.00 C ATOM 393 CD LYS A 30 -3.402 -15.236 7.551 1.00 0.00 C ATOM 394 CE LYS A 30 -4.700 -15.937 7.147 1.00 0.00 C ATOM 395 NZ LYS A 30 -4.492 -16.750 5.927 1.00 0.00 N ATOM 0 H LYS A 30 -0.490 -13.132 8.564 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.913 -11.787 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.818 -14.506 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.101 -14.126 10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.690 -14.062 8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.680 -13.106 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.843 -14.954 6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.773 -15.924 8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.045 -16.574 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.480 -15.197 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.383 -17.219 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.184 -16.134 5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.763 -17.469 6.109 1.00 0.00 H new ATOM 409 N ASN A 31 -0.806 -11.857 11.519 1.00 0.00 N ATOM 410 CA ASN A 31 -0.542 -11.383 12.867 1.00 0.00 C ATOM 411 C ASN A 31 -0.262 -9.879 12.829 1.00 0.00 C ATOM 412 O ASN A 31 -0.756 -9.131 13.671 1.00 0.00 O ATOM 413 CB ASN A 31 0.683 -12.077 13.465 1.00 0.00 C ATOM 414 CG ASN A 31 0.389 -12.590 14.877 1.00 0.00 C ATOM 415 OD1 ASN A 31 0.927 -12.114 15.863 1.00 0.00 O ATOM 416 ND2 ASN A 31 -0.493 -13.584 14.917 1.00 0.00 N ATOM 0 H ASN A 31 0.019 -12.171 11.008 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.416 -11.604 13.479 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.982 -12.909 12.827 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.521 -11.381 13.494 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.757 -13.996 15.812 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.905 -13.935 14.053 1.00 0.00 H new ATOM 423 N GLU A 32 0.530 -9.482 11.844 1.00 0.00 N ATOM 424 CA GLU A 32 0.881 -8.081 11.685 1.00 0.00 C ATOM 425 C GLU A 32 1.688 -7.879 10.401 1.00 0.00 C ATOM 426 O GLU A 32 2.379 -8.790 9.948 1.00 0.00 O ATOM 427 CB GLU A 32 1.652 -7.568 12.903 1.00 0.00 C ATOM 428 CG GLU A 32 0.821 -6.551 13.688 1.00 0.00 C ATOM 429 CD GLU A 32 1.021 -6.727 15.195 1.00 0.00 C ATOM 430 OE1 GLU A 32 2.124 -6.375 15.666 1.00 0.00 O ATOM 431 OE2 GLU A 32 0.066 -7.209 15.842 1.00 0.00 O ATOM 0 H GLU A 32 0.939 -10.106 11.148 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.039 -7.502 11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.916 -8.405 13.550 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.586 -7.108 12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.105 -5.540 13.395 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.234 -6.670 13.441 1.00 0.00 H new ATOM 438 N PHE A 33 1.573 -6.679 9.850 1.00 0.00 N ATOM 439 CA PHE A 33 2.283 -6.346 8.627 1.00 0.00 C ATOM 440 C PHE A 33 3.797 -6.391 8.843 1.00 0.00 C ATOM 441 O PHE A 33 4.316 -5.764 9.766 1.00 0.00 O ATOM 442 CB PHE A 33 1.876 -4.921 8.248 1.00 0.00 C ATOM 443 CG PHE A 33 1.893 -4.648 6.743 1.00 0.00 C ATOM 444 CD1 PHE A 33 3.008 -4.923 6.014 1.00 0.00 C ATOM 445 CD2 PHE A 33 0.793 -4.131 6.133 1.00 0.00 C ATOM 446 CE1 PHE A 33 3.024 -4.671 4.617 1.00 0.00 C ATOM 447 CE2 PHE A 33 0.808 -3.879 4.735 1.00 0.00 C ATOM 448 CZ PHE A 33 1.923 -4.154 4.007 1.00 0.00 C ATOM 0 H PHE A 33 0.999 -5.926 10.228 1.00 0.00 H new ATOM 0 HA PHE A 33 2.033 -7.062 7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.874 -4.726 8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.548 -4.219 8.742 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.882 -5.333 6.498 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.092 -3.912 6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.910 -4.890 4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.066 -3.469 4.251 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.935 -3.962 2.944 1.00 0.00 H new ATOM 458 N PRO A 34 4.482 -7.158 7.952 1.00 0.00 N ATOM 459 CA PRO A 34 5.926 -7.293 8.036 1.00 0.00 C ATOM 460 C PRO A 34 6.625 -6.027 7.536 1.00 0.00 C ATOM 461 O PRO A 34 6.068 -5.283 6.730 1.00 0.00 O ATOM 462 CB PRO A 34 6.256 -8.521 7.204 1.00 0.00 C ATOM 463 CG PRO A 34 5.048 -8.755 6.310 1.00 0.00 C ATOM 464 CD PRO A 34 3.902 -7.914 6.846 1.00 0.00 C ATOM 0 HA PRO A 34 6.278 -7.416 9.060 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.156 -8.360 6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.444 -9.385 7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.276 -8.478 5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.776 -9.811 6.304 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.505 -7.250 6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.076 -8.540 7.184 1.00 0.00 H new ATOM 472 N GLU A 35 7.835 -5.821 8.034 1.00 0.00 N ATOM 473 CA GLU A 35 8.616 -4.658 7.648 1.00 0.00 C ATOM 474 C GLU A 35 9.181 -4.842 6.238 1.00 0.00 C ATOM 475 O GLU A 35 9.077 -3.946 5.402 1.00 0.00 O ATOM 476 CB GLU A 35 9.736 -4.390 8.656 1.00 0.00 C ATOM 477 CG GLU A 35 9.201 -4.417 10.089 1.00 0.00 C ATOM 478 CD GLU A 35 8.984 -2.998 10.620 1.00 0.00 C ATOM 479 OE1 GLU A 35 9.705 -2.096 10.141 1.00 0.00 O ATOM 480 OE2 GLU A 35 8.103 -2.848 11.494 1.00 0.00 O ATOM 0 H GLU A 35 8.294 -6.440 8.702 1.00 0.00 H new ATOM 0 HA GLU A 35 7.959 -3.789 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.520 -5.139 8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.190 -3.420 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.261 -4.968 10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.903 -4.947 10.733 1.00 0.00 H new ATOM 487 N ASP A 36 9.766 -6.010 6.017 1.00 0.00 N ATOM 488 CA ASP A 36 10.347 -6.323 4.723 1.00 0.00 C ATOM 489 C ASP A 36 9.338 -5.990 3.622 1.00 0.00 C ATOM 490 O ASP A 36 9.720 -5.739 2.480 1.00 0.00 O ATOM 491 CB ASP A 36 10.687 -7.811 4.617 1.00 0.00 C ATOM 492 CG ASP A 36 11.708 -8.315 5.639 1.00 0.00 C ATOM 493 OD1 ASP A 36 11.588 -7.901 6.813 1.00 0.00 O ATOM 494 OD2 ASP A 36 12.585 -9.103 5.224 1.00 0.00 O ATOM 0 H ASP A 36 9.850 -6.751 6.713 1.00 0.00 H new ATOM 0 HA ASP A 36 11.259 -5.736 4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.768 -8.387 4.729 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.069 -8.011 3.616 1.00 0.00 H new ATOM 499 N LEU A 37 8.069 -5.998 4.003 1.00 0.00 N ATOM 500 CA LEU A 37 7.003 -5.699 3.063 1.00 0.00 C ATOM 501 C LEU A 37 6.696 -4.201 3.104 1.00 0.00 C ATOM 502 O LEU A 37 6.748 -3.524 2.078 1.00 0.00 O ATOM 503 CB LEU A 37 5.785 -6.584 3.336 1.00 0.00 C ATOM 504 CG LEU A 37 5.941 -8.066 2.991 1.00 0.00 C ATOM 505 CD1 LEU A 37 4.588 -8.779 3.007 1.00 0.00 C ATOM 506 CD2 LEU A 37 6.668 -8.245 1.656 1.00 0.00 C ATOM 0 H LEU A 37 7.755 -6.207 4.951 1.00 0.00 H new ATOM 0 HA LEU A 37 7.317 -5.932 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.531 -6.502 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.940 -6.188 2.774 1.00 0.00 H new ATOM 0 HG LEU A 37 6.559 -8.532 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.728 -9.831 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.145 -8.697 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.925 -8.318 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.766 -9.308 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.098 -7.760 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.659 -7.795 1.718 1.00 0.00 H new ATOM 518 N ARG A 38 6.384 -3.726 4.301 1.00 0.00 N ATOM 519 CA ARG A 38 6.070 -2.320 4.490 1.00 0.00 C ATOM 520 C ARG A 38 7.024 -1.448 3.671 1.00 0.00 C ATOM 521 O ARG A 38 6.630 -0.877 2.655 1.00 0.00 O ATOM 522 CB ARG A 38 6.170 -1.927 5.965 1.00 0.00 C ATOM 523 CG ARG A 38 4.831 -2.129 6.678 1.00 0.00 C ATOM 524 CD ARG A 38 5.015 -2.920 7.975 1.00 0.00 C ATOM 525 NE ARG A 38 4.757 -2.046 9.142 1.00 0.00 N ATOM 526 CZ ARG A 38 5.652 -1.187 9.649 1.00 0.00 C ATOM 527 NH1 ARG A 38 6.868 -1.082 9.097 1.00 0.00 N ATOM 528 NH2 ARG A 38 5.330 -0.434 10.710 1.00 0.00 N ATOM 0 H ARG A 38 6.342 -4.290 5.150 1.00 0.00 H new ATOM 0 HA ARG A 38 5.046 -2.161 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.940 -2.525 6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.476 -0.884 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.383 -1.160 6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.141 -2.657 6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.335 -3.772 7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.028 -3.320 8.026 1.00 0.00 H new ATOM 0 HE ARG A 38 3.841 -2.101 9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.113 -1.656 8.290 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.549 -0.428 9.483 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.404 -0.515 11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.011 0.220 11.097 1.00 0.00 H new ATOM 542 N THR A 39 8.259 -1.373 4.144 1.00 0.00 N ATOM 543 CA THR A 39 9.272 -0.581 3.468 1.00 0.00 C ATOM 544 C THR A 39 9.139 -0.726 1.950 1.00 0.00 C ATOM 545 O THR A 39 9.142 0.267 1.225 1.00 0.00 O ATOM 546 CB THR A 39 10.641 -1.008 4.001 1.00 0.00 C ATOM 547 OG1 THR A 39 10.604 -0.647 5.380 1.00 0.00 O ATOM 548 CG2 THR A 39 11.782 -0.167 3.426 1.00 0.00 C ATOM 0 H THR A 39 8.581 -1.848 4.987 1.00 0.00 H new ATOM 0 HA THR A 39 9.144 0.482 3.674 1.00 0.00 H new ATOM 0 HB THR A 39 10.811 -2.059 3.765 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.453 -0.890 5.805 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.731 -0.512 3.837 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.798 -0.269 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.631 0.880 3.690 1.00 0.00 H new ATOM 556 N GLU A 40 9.025 -1.973 1.516 1.00 0.00 N ATOM 557 CA GLU A 40 8.891 -2.262 0.098 1.00 0.00 C ATOM 558 C GLU A 40 7.692 -1.511 -0.485 1.00 0.00 C ATOM 559 O GLU A 40 7.786 -0.925 -1.562 1.00 0.00 O ATOM 560 CB GLU A 40 8.767 -3.767 -0.146 1.00 0.00 C ATOM 561 CG GLU A 40 10.024 -4.319 -0.820 1.00 0.00 C ATOM 562 CD GLU A 40 10.118 -3.847 -2.273 1.00 0.00 C ATOM 563 OE1 GLU A 40 9.137 -4.083 -3.011 1.00 0.00 O ATOM 564 OE2 GLU A 40 11.169 -3.262 -2.613 1.00 0.00 O ATOM 0 H GLU A 40 9.023 -2.794 2.121 1.00 0.00 H new ATOM 0 HA GLU A 40 9.792 -1.919 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.603 -4.280 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.897 -3.967 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.908 -3.995 -0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.010 -5.408 -0.788 1.00 0.00 H new ATOM 571 N LEU A 41 6.591 -1.555 0.252 1.00 0.00 N ATOM 572 CA LEU A 41 5.375 -0.886 -0.179 1.00 0.00 C ATOM 573 C LEU A 41 5.534 0.624 0.011 1.00 0.00 C ATOM 574 O LEU A 41 5.439 1.387 -0.949 1.00 0.00 O ATOM 575 CB LEU A 41 4.158 -1.472 0.539 1.00 0.00 C ATOM 576 CG LEU A 41 3.312 -2.458 -0.270 1.00 0.00 C ATOM 577 CD1 LEU A 41 3.858 -3.882 -0.143 1.00 0.00 C ATOM 578 CD2 LEU A 41 1.838 -2.371 0.129 1.00 0.00 C ATOM 0 H LEU A 41 6.516 -2.043 1.144 1.00 0.00 H new ATOM 0 HA LEU A 41 5.202 -1.057 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.502 -1.975 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.517 -0.649 0.856 1.00 0.00 H new ATOM 0 HG LEU A 41 3.377 -2.181 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.239 -4.563 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.882 -3.914 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.843 -4.186 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.259 -3.082 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.733 -2.607 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.470 -1.362 -0.055 1.00 0.00 H new ATOM 590 N MET A 42 5.772 1.009 1.256 1.00 0.00 N ATOM 591 CA MET A 42 5.945 2.414 1.585 1.00 0.00 C ATOM 592 C MET A 42 6.770 3.130 0.513 1.00 0.00 C ATOM 593 O MET A 42 6.348 4.158 -0.016 1.00 0.00 O ATOM 594 CB MET A 42 6.647 2.540 2.938 1.00 0.00 C ATOM 595 CG MET A 42 5.813 1.898 4.049 1.00 0.00 C ATOM 596 SD MET A 42 4.170 2.596 4.061 1.00 0.00 S ATOM 597 CE MET A 42 3.206 1.126 3.753 1.00 0.00 C ATOM 0 H MET A 42 5.849 0.373 2.049 1.00 0.00 H new ATOM 0 HA MET A 42 4.961 2.880 1.632 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.625 2.062 2.890 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.817 3.592 3.167 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.758 0.820 3.897 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.293 2.059 5.014 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.148 1.350 3.886 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.379 0.785 2.732 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.502 0.344 4.452 1.00 0.00 H new ATOM 607 N GLN A 43 7.930 2.560 0.226 1.00 0.00 N ATOM 608 CA GLN A 43 8.818 3.131 -0.772 1.00 0.00 C ATOM 609 C GLN A 43 8.206 2.993 -2.168 1.00 0.00 C ATOM 610 O GLN A 43 8.225 3.939 -2.954 1.00 0.00 O ATOM 611 CB GLN A 43 10.201 2.480 -0.713 1.00 0.00 C ATOM 612 CG GLN A 43 10.206 1.136 -1.444 1.00 0.00 C ATOM 613 CD GLN A 43 11.581 0.469 -1.356 1.00 0.00 C ATOM 614 OE1 GLN A 43 12.429 0.620 -2.220 1.00 0.00 O ATOM 615 NE2 GLN A 43 11.752 -0.275 -0.267 1.00 0.00 N ATOM 0 H GLN A 43 8.276 1.708 0.667 1.00 0.00 H new ATOM 0 HA GLN A 43 8.943 4.192 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.939 3.145 -1.162 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.494 2.334 0.327 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.451 0.480 -1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.937 1.286 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.000 -0.358 0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.635 -0.762 -0.116 1.00 0.00 H new ATOM 624 N THR A 44 7.679 1.807 -2.433 1.00 0.00 N ATOM 625 CA THR A 44 7.063 1.533 -3.720 1.00 0.00 C ATOM 626 C THR A 44 5.923 2.519 -3.987 1.00 0.00 C ATOM 627 O THR A 44 6.016 3.350 -4.889 1.00 0.00 O ATOM 628 CB THR A 44 6.614 0.070 -3.727 1.00 0.00 C ATOM 629 OG1 THR A 44 7.818 -0.661 -3.942 1.00 0.00 O ATOM 630 CG2 THR A 44 5.750 -0.271 -4.943 1.00 0.00 C ATOM 0 H THR A 44 7.666 1.025 -1.778 1.00 0.00 H new ATOM 0 HA THR A 44 7.772 1.675 -4.536 1.00 0.00 H new ATOM 0 HB THR A 44 6.058 -0.143 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.036 -1.176 -3.137 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.458 -1.320 -4.899 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.857 0.354 -4.942 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.318 -0.090 -5.855 1.00 0.00 H new ATOM 638 N LEU A 45 4.876 2.394 -3.185 1.00 0.00 N ATOM 639 CA LEU A 45 3.720 3.264 -3.324 1.00 0.00 C ATOM 640 C LEU A 45 4.167 4.722 -3.200 1.00 0.00 C ATOM 641 O LEU A 45 3.748 5.571 -3.985 1.00 0.00 O ATOM 642 CB LEU A 45 2.629 2.868 -2.326 1.00 0.00 C ATOM 643 CG LEU A 45 2.409 1.366 -2.134 1.00 0.00 C ATOM 644 CD1 LEU A 45 1.177 1.100 -1.266 1.00 0.00 C ATOM 645 CD2 LEU A 45 2.326 0.647 -3.482 1.00 0.00 C ATOM 0 H LEU A 45 4.804 1.704 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 45 3.273 3.150 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.873 3.306 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.689 3.314 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 45 3.271 0.959 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.043 0.025 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.315 1.561 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.295 1.524 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.169 -0.419 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.494 1.051 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.255 0.796 -4.032 1.00 0.00 H new ATOM 657 N GLY A 46 5.011 4.966 -2.209 1.00 0.00 N ATOM 658 CA GLY A 46 5.519 6.307 -1.973 1.00 0.00 C ATOM 659 C GLY A 46 6.130 6.894 -3.247 1.00 0.00 C ATOM 660 O GLY A 46 5.922 8.066 -3.557 1.00 0.00 O ATOM 0 H GLY A 46 5.356 4.258 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.711 6.950 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.270 6.281 -1.184 1.00 0.00 H new ATOM 664 N SER A 47 6.873 6.053 -3.951 1.00 0.00 N ATOM 665 CA SER A 47 7.515 6.474 -5.185 1.00 0.00 C ATOM 666 C SER A 47 6.511 7.211 -6.073 1.00 0.00 C ATOM 667 O SER A 47 6.676 8.398 -6.348 1.00 0.00 O ATOM 668 CB SER A 47 8.108 5.278 -5.933 1.00 0.00 C ATOM 669 OG SER A 47 9.363 5.591 -6.531 1.00 0.00 O ATOM 0 H SER A 47 7.045 5.082 -3.691 1.00 0.00 H new ATOM 0 HA SER A 47 8.331 7.151 -4.932 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.234 4.444 -5.242 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.411 4.951 -6.704 1.00 0.00 H new ATOM 0 HG SER A 47 9.709 4.802 -6.997 1.00 0.00 H new ATOM 675 N TYR A 48 5.493 6.477 -6.496 1.00 0.00 N ATOM 676 CA TYR A 48 4.462 7.046 -7.347 1.00 0.00 C ATOM 677 C TYR A 48 4.145 8.485 -6.936 1.00 0.00 C ATOM 678 O TYR A 48 3.920 9.343 -7.789 1.00 0.00 O ATOM 679 CB TYR A 48 3.217 6.182 -7.137 1.00 0.00 C ATOM 680 CG TYR A 48 3.249 4.850 -7.888 1.00 0.00 C ATOM 681 CD1 TYR A 48 2.814 4.785 -9.197 1.00 0.00 C ATOM 682 CD2 TYR A 48 3.713 3.713 -7.258 1.00 0.00 C ATOM 683 CE1 TYR A 48 2.845 3.532 -9.904 1.00 0.00 C ATOM 684 CE2 TYR A 48 3.744 2.460 -7.966 1.00 0.00 C ATOM 685 CZ TYR A 48 3.308 2.431 -9.254 1.00 0.00 C ATOM 686 OH TYR A 48 3.337 1.246 -9.922 1.00 0.00 O ATOM 0 H TYR A 48 5.360 5.492 -6.265 1.00 0.00 H new ATOM 0 HA TYR A 48 4.789 7.062 -8.387 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.101 5.984 -6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.339 6.745 -7.454 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.451 5.674 -9.690 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.053 3.763 -6.234 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.508 3.468 -10.928 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.105 1.563 -7.485 1.00 0.00 H new ATOM 0 HH TYR A 48 3.692 0.547 -9.334 1.00 0.00 H new ATOM 696 N GLY A 49 4.139 8.706 -5.630 1.00 0.00 N ATOM 697 CA GLY A 49 3.853 10.027 -5.096 1.00 0.00 C ATOM 698 C GLY A 49 4.878 10.421 -4.031 1.00 0.00 C ATOM 699 O GLY A 49 6.083 10.348 -4.266 1.00 0.00 O ATOM 0 H GLY A 49 4.328 7.993 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.862 10.759 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.852 10.040 -4.665 1.00 0.00 H new ATOM 703 N THR A 50 4.362 10.830 -2.881 1.00 0.00 N ATOM 704 CA THR A 50 5.218 11.236 -1.779 1.00 0.00 C ATOM 705 C THR A 50 4.577 10.861 -0.441 1.00 0.00 C ATOM 706 O THR A 50 3.460 11.282 -0.143 1.00 0.00 O ATOM 707 CB THR A 50 5.494 12.734 -1.921 1.00 0.00 C ATOM 708 OG1 THR A 50 6.563 12.802 -2.862 1.00 0.00 O ATOM 709 CG2 THR A 50 6.080 13.345 -0.647 1.00 0.00 C ATOM 0 H THR A 50 3.362 10.889 -2.689 1.00 0.00 H new ATOM 0 HA THR A 50 6.173 10.711 -1.806 1.00 0.00 H new ATOM 0 HB THR A 50 4.569 13.250 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.632 11.950 -3.341 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.257 14.409 -0.802 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.379 13.210 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.022 12.852 -0.407 1.00 0.00 H new ATOM 717 N ILE A 51 5.312 10.073 0.331 1.00 0.00 N ATOM 718 CA ILE A 51 4.830 9.637 1.630 1.00 0.00 C ATOM 719 C ILE A 51 4.881 10.811 2.609 1.00 0.00 C ATOM 720 O ILE A 51 5.941 11.130 3.146 1.00 0.00 O ATOM 721 CB ILE A 51 5.606 8.407 2.104 1.00 0.00 C ATOM 722 CG1 ILE A 51 5.338 7.205 1.195 1.00 0.00 C ATOM 723 CG2 ILE A 51 5.300 8.096 3.570 1.00 0.00 C ATOM 724 CD1 ILE A 51 3.938 6.638 1.436 1.00 0.00 C ATOM 0 H ILE A 51 6.238 9.725 0.081 1.00 0.00 H new ATOM 0 HA ILE A 51 3.789 9.322 1.564 1.00 0.00 H new ATOM 0 HB ILE A 51 6.671 8.630 2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.439 7.504 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.084 6.432 1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.865 7.217 3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.583 8.947 4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.234 7.902 3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.773 5.785 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.849 6.318 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.193 7.406 1.228 1.00 0.00 H new ATOM 736 N VAL A 52 3.723 11.423 2.811 1.00 0.00 N ATOM 737 CA VAL A 52 3.623 12.555 3.716 1.00 0.00 C ATOM 738 C VAL A 52 3.295 12.050 5.123 1.00 0.00 C ATOM 739 O VAL A 52 3.433 12.787 6.098 1.00 0.00 O ATOM 740 CB VAL A 52 2.597 13.559 3.187 1.00 0.00 C ATOM 741 CG1 VAL A 52 3.003 14.082 1.807 1.00 0.00 C ATOM 742 CG2 VAL A 52 1.197 12.943 3.150 1.00 0.00 C ATOM 0 H VAL A 52 2.846 11.156 2.363 1.00 0.00 H new ATOM 0 HA VAL A 52 4.575 13.083 3.774 1.00 0.00 H new ATOM 0 HB VAL A 52 2.572 14.406 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.257 14.794 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.972 14.576 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.069 13.249 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.486 13.677 2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.201 12.070 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.905 12.642 4.156 1.00 0.00 H new ATOM 752 N LEU A 53 2.868 10.798 5.183 1.00 0.00 N ATOM 753 CA LEU A 53 2.519 10.186 6.454 1.00 0.00 C ATOM 754 C LEU A 53 1.910 8.805 6.201 1.00 0.00 C ATOM 755 O LEU A 53 1.259 8.588 5.180 1.00 0.00 O ATOM 756 CB LEU A 53 1.616 11.117 7.267 1.00 0.00 C ATOM 757 CG LEU A 53 0.752 10.447 8.337 1.00 0.00 C ATOM 758 CD1 LEU A 53 -0.328 9.570 7.701 1.00 0.00 C ATOM 759 CD2 LEU A 53 1.617 9.664 9.328 1.00 0.00 C ATOM 0 H LEU A 53 2.756 10.190 4.372 1.00 0.00 H new ATOM 0 HA LEU A 53 3.411 10.034 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.242 11.867 7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.959 11.647 6.577 1.00 0.00 H new ATOM 0 HG LEU A 53 0.241 11.227 8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.928 9.106 8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.969 10.184 7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.142 8.795 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.979 9.197 10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.174 8.893 8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.315 10.343 9.817 1.00 0.00 H new ATOM 771 N VAL A 54 2.144 7.908 7.148 1.00 0.00 N ATOM 772 CA VAL A 54 1.627 6.555 7.040 1.00 0.00 C ATOM 773 C VAL A 54 1.319 6.018 8.440 1.00 0.00 C ATOM 774 O VAL A 54 2.005 6.356 9.403 1.00 0.00 O ATOM 775 CB VAL A 54 2.614 5.678 6.268 1.00 0.00 C ATOM 776 CG1 VAL A 54 2.958 6.302 4.914 1.00 0.00 C ATOM 777 CG2 VAL A 54 3.878 5.419 7.090 1.00 0.00 C ATOM 0 H VAL A 54 2.685 8.092 7.993 1.00 0.00 H new ATOM 0 HA VAL A 54 0.694 6.546 6.476 1.00 0.00 H new ATOM 0 HB VAL A 54 2.134 4.717 6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.661 5.659 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.049 6.410 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.409 7.282 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.562 4.793 6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.362 6.368 7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.611 4.911 8.017 1.00 0.00 H new ATOM 787 N ARG A 55 0.286 5.191 8.507 1.00 0.00 N ATOM 788 CA ARG A 55 -0.122 4.605 9.773 1.00 0.00 C ATOM 789 C ARG A 55 -0.480 3.129 9.583 1.00 0.00 C ATOM 790 O ARG A 55 -1.505 2.808 8.984 1.00 0.00 O ATOM 791 CB ARG A 55 -1.326 5.344 10.360 1.00 0.00 C ATOM 792 CG ARG A 55 -1.412 5.136 11.873 1.00 0.00 C ATOM 793 CD ARG A 55 -2.859 4.902 12.313 1.00 0.00 C ATOM 794 NE ARG A 55 -2.894 4.455 13.723 1.00 0.00 N ATOM 795 CZ ARG A 55 -3.980 4.518 14.505 1.00 0.00 C ATOM 796 NH1 ARG A 55 -5.127 5.011 14.019 1.00 0.00 N ATOM 797 NH2 ARG A 55 -3.919 4.090 15.773 1.00 0.00 N ATOM 0 H ARG A 55 -0.281 4.913 7.706 1.00 0.00 H new ATOM 0 HA ARG A 55 0.716 4.693 10.465 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.247 6.409 10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.242 4.988 9.888 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.798 4.283 12.162 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.008 6.008 12.387 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.435 5.820 12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.325 4.152 11.674 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.037 4.075 14.125 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.173 5.338 13.054 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.954 5.059 14.614 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.045 3.716 16.144 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.746 4.138 16.368 1.00 0.00 H new ATOM 811 N ILE A 56 0.385 2.272 10.104 1.00 0.00 N ATOM 812 CA ILE A 56 0.172 0.838 10.000 1.00 0.00 C ATOM 813 C ILE A 56 -0.799 0.390 11.093 1.00 0.00 C ATOM 814 O ILE A 56 -0.594 0.684 12.270 1.00 0.00 O ATOM 815 CB ILE A 56 1.510 0.095 10.024 1.00 0.00 C ATOM 816 CG1 ILE A 56 1.727 -0.684 8.725 1.00 0.00 C ATOM 817 CG2 ILE A 56 1.615 -0.805 11.256 1.00 0.00 C ATOM 818 CD1 ILE A 56 1.147 -2.096 8.828 1.00 0.00 C ATOM 0 H ILE A 56 1.235 2.542 10.599 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.288 0.590 9.044 1.00 0.00 H new ATOM 0 HB ILE A 56 2.309 0.832 10.095 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.258 -0.154 7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.793 -0.740 8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.575 -1.321 11.249 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.536 -0.198 12.158 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.809 -1.538 11.241 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.315 -2.628 7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.636 -2.632 9.642 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.076 -2.036 9.024 1.00 0.00 H new ATOM 830 N ASN A 57 -1.837 -0.314 10.666 1.00 0.00 N ATOM 831 CA ASN A 57 -2.842 -0.805 11.594 1.00 0.00 C ATOM 832 C ASN A 57 -2.641 -2.307 11.808 1.00 0.00 C ATOM 833 O ASN A 57 -2.261 -3.024 10.884 1.00 0.00 O ATOM 834 CB ASN A 57 -4.253 -0.591 11.043 1.00 0.00 C ATOM 835 CG ASN A 57 -4.700 0.860 11.230 1.00 0.00 C ATOM 836 OD1 ASN A 57 -3.917 1.743 11.539 1.00 0.00 O ATOM 837 ND2 ASN A 57 -6.000 1.055 11.028 1.00 0.00 N ATOM 0 H ASN A 57 -2.004 -0.556 9.689 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.734 -0.256 12.530 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.277 -0.849 9.984 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.950 -1.258 11.550 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.398 1.989 11.130 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.599 0.271 10.771 1.00 0.00 H new ATOM 844 N GLN A 58 -2.904 -2.738 13.033 1.00 0.00 N ATOM 845 CA GLN A 58 -2.757 -4.141 13.380 1.00 0.00 C ATOM 846 C GLN A 58 -3.138 -5.025 12.190 1.00 0.00 C ATOM 847 O GLN A 58 -2.483 -6.032 11.926 1.00 0.00 O ATOM 848 CB GLN A 58 -3.592 -4.492 14.613 1.00 0.00 C ATOM 849 CG GLN A 58 -2.761 -4.366 15.891 1.00 0.00 C ATOM 850 CD GLN A 58 -3.367 -5.199 17.023 1.00 0.00 C ATOM 851 OE1 GLN A 58 -3.886 -6.285 16.820 1.00 0.00 O ATOM 852 NE2 GLN A 58 -3.272 -4.633 18.222 1.00 0.00 N ATOM 0 H GLN A 58 -3.218 -2.140 13.797 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.711 -4.326 13.626 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.457 -3.832 14.671 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.973 -5.509 14.521 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.740 -4.695 15.699 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.707 -3.320 16.193 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.825 -3.722 18.322 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.646 -5.110 19.042 1.00 0.00 H new ATOM 861 N GLY A 59 -4.195 -4.616 11.505 1.00 0.00 N ATOM 862 CA GLY A 59 -4.671 -5.358 10.350 1.00 0.00 C ATOM 863 C GLY A 59 -5.004 -4.416 9.191 1.00 0.00 C ATOM 864 O GLY A 59 -6.068 -4.525 8.583 1.00 0.00 O ATOM 0 H GLY A 59 -4.736 -3.780 11.727 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.911 -6.073 10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.556 -5.932 10.622 1.00 0.00 H new ATOM 868 N GLN A 60 -4.074 -3.512 8.920 1.00 0.00 N ATOM 869 CA GLN A 60 -4.254 -2.551 7.846 1.00 0.00 C ATOM 870 C GLN A 60 -3.041 -1.624 7.753 1.00 0.00 C ATOM 871 O GLN A 60 -2.043 -1.830 8.442 1.00 0.00 O ATOM 872 CB GLN A 60 -5.543 -1.749 8.038 1.00 0.00 C ATOM 873 CG GLN A 60 -6.524 -2.005 6.892 1.00 0.00 C ATOM 874 CD GLN A 60 -7.968 -1.784 7.346 1.00 0.00 C ATOM 875 OE1 GLN A 60 -8.260 -1.630 8.521 1.00 0.00 O ATOM 876 NE2 GLN A 60 -8.853 -1.776 6.353 1.00 0.00 N ATOM 0 H GLN A 60 -3.193 -3.425 9.426 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.341 -3.098 6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.007 -2.021 8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.309 -0.686 8.091 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.296 -1.341 6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.406 -3.026 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.542 -1.911 5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.843 -1.635 6.553 1.00 0.00 H new ATOM 885 N MET A 61 -3.166 -0.622 6.894 1.00 0.00 N ATOM 886 CA MET A 61 -2.091 0.337 6.702 1.00 0.00 C ATOM 887 C MET A 61 -2.576 1.551 5.908 1.00 0.00 C ATOM 888 O MET A 61 -2.735 1.478 4.690 1.00 0.00 O ATOM 889 CB MET A 61 -0.935 -0.333 5.957 1.00 0.00 C ATOM 890 CG MET A 61 0.015 0.711 5.366 1.00 0.00 C ATOM 891 SD MET A 61 0.421 1.934 6.601 1.00 0.00 S ATOM 892 CE MET A 61 2.193 1.734 6.665 1.00 0.00 C ATOM 0 H MET A 61 -3.995 -0.454 6.324 1.00 0.00 H new ATOM 0 HA MET A 61 -1.754 0.678 7.681 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.387 -0.984 6.638 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.328 -0.964 5.160 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.924 0.227 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.450 1.192 4.505 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.544 1.924 7.679 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.455 0.717 6.375 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.664 2.439 5.980 1.00 0.00 H new ATOM 902 N LEU A 62 -2.798 2.640 6.629 1.00 0.00 N ATOM 903 CA LEU A 62 -3.262 3.869 6.006 1.00 0.00 C ATOM 904 C LEU A 62 -2.057 4.670 5.509 1.00 0.00 C ATOM 905 O LEU A 62 -1.320 5.249 6.306 1.00 0.00 O ATOM 906 CB LEU A 62 -4.165 4.647 6.965 1.00 0.00 C ATOM 907 CG LEU A 62 -5.439 3.932 7.416 1.00 0.00 C ATOM 908 CD1 LEU A 62 -5.168 3.043 8.632 1.00 0.00 C ATOM 909 CD2 LEU A 62 -6.567 4.932 7.678 1.00 0.00 C ATOM 0 H LEU A 62 -2.665 2.697 7.639 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.878 3.646 5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.584 4.905 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.448 5.584 6.486 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.768 3.280 6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.091 2.546 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.419 2.294 8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.801 3.655 9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.461 4.397 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.262 5.628 8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.782 5.485 6.764 1.00 0.00 H new ATOM 921 N VAL A 63 -1.893 4.677 4.195 1.00 0.00 N ATOM 922 CA VAL A 63 -0.790 5.397 3.582 1.00 0.00 C ATOM 923 C VAL A 63 -1.302 6.726 3.022 1.00 0.00 C ATOM 924 O VAL A 63 -2.267 6.751 2.261 1.00 0.00 O ATOM 925 CB VAL A 63 -0.117 4.522 2.522 1.00 0.00 C ATOM 926 CG1 VAL A 63 0.897 5.328 1.708 1.00 0.00 C ATOM 927 CG2 VAL A 63 0.541 3.297 3.160 1.00 0.00 C ATOM 0 H VAL A 63 -2.506 4.195 3.537 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.027 5.629 4.325 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.890 4.170 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.360 4.682 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.389 6.153 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.665 5.724 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.012 2.692 2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.296 3.621 3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.215 2.704 3.674 1.00 0.00 H new ATOM 937 N THR A 64 -0.632 7.797 3.422 1.00 0.00 N ATOM 938 CA THR A 64 -1.008 9.126 2.969 1.00 0.00 C ATOM 939 C THR A 64 0.001 9.644 1.942 1.00 0.00 C ATOM 940 O THR A 64 1.197 9.383 2.055 1.00 0.00 O ATOM 941 CB THR A 64 -1.138 10.025 4.201 1.00 0.00 C ATOM 942 OG1 THR A 64 -2.109 9.367 5.010 1.00 0.00 O ATOM 943 CG2 THR A 64 -1.778 11.375 3.874 1.00 0.00 C ATOM 0 H THR A 64 0.168 7.772 4.054 1.00 0.00 H new ATOM 0 HA THR A 64 -1.969 9.113 2.455 1.00 0.00 H new ATOM 0 HB THR A 64 -0.153 10.187 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.005 9.543 4.654 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.847 11.974 4.782 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.167 11.899 3.139 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.777 11.215 3.468 1.00 0.00 H new ATOM 951 N PHE A 65 -0.520 10.371 0.964 1.00 0.00 N ATOM 952 CA PHE A 65 0.320 10.928 -0.082 1.00 0.00 C ATOM 953 C PHE A 65 0.165 12.449 -0.157 1.00 0.00 C ATOM 954 O PHE A 65 -0.656 13.028 0.551 1.00 0.00 O ATOM 955 CB PHE A 65 -0.145 10.314 -1.404 1.00 0.00 C ATOM 956 CG PHE A 65 0.260 8.850 -1.587 1.00 0.00 C ATOM 957 CD1 PHE A 65 1.520 8.539 -1.991 1.00 0.00 C ATOM 958 CD2 PHE A 65 -0.641 7.860 -1.345 1.00 0.00 C ATOM 959 CE1 PHE A 65 1.896 7.180 -2.161 1.00 0.00 C ATOM 960 CE2 PHE A 65 -0.265 6.502 -1.515 1.00 0.00 C ATOM 961 CZ PHE A 65 0.996 6.190 -1.919 1.00 0.00 C ATOM 0 H PHE A 65 -1.513 10.587 0.874 1.00 0.00 H new ATOM 0 HA PHE A 65 1.367 10.706 0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.231 10.390 -1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.264 10.899 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.235 9.325 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.642 8.107 -1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.897 6.933 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.980 5.716 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.282 5.157 -2.047 1.00 0.00 H new ATOM 971 N ALA A 66 0.968 13.051 -1.022 1.00 0.00 N ATOM 972 CA ALA A 66 0.931 14.493 -1.199 1.00 0.00 C ATOM 973 C ALA A 66 -0.065 14.841 -2.307 1.00 0.00 C ATOM 974 O ALA A 66 -0.758 15.854 -2.228 1.00 0.00 O ATOM 975 CB ALA A 66 2.340 15.007 -1.500 1.00 0.00 C ATOM 0 H ALA A 66 1.648 12.567 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 66 0.593 14.983 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.312 16.089 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.002 14.760 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.711 14.539 -2.412 1.00 0.00 H new ATOM 981 N ASP A 67 -0.106 13.981 -3.314 1.00 0.00 N ATOM 982 CA ASP A 67 -1.006 14.184 -4.437 1.00 0.00 C ATOM 983 C ASP A 67 -2.013 13.034 -4.493 1.00 0.00 C ATOM 984 O ASP A 67 -1.840 12.019 -3.819 1.00 0.00 O ATOM 985 CB ASP A 67 -0.239 14.207 -5.760 1.00 0.00 C ATOM 986 CG ASP A 67 -0.247 15.552 -6.489 1.00 0.00 C ATOM 987 OD1 ASP A 67 -1.237 16.292 -6.305 1.00 0.00 O ATOM 988 OD2 ASP A 67 0.738 15.810 -7.215 1.00 0.00 O ATOM 0 H ASP A 67 0.470 13.141 -3.376 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.510 15.140 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.795 13.921 -5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.662 13.450 -6.421 1.00 0.00 H new ATOM 993 N SER A 68 -3.042 13.230 -5.303 1.00 0.00 N ATOM 994 CA SER A 68 -4.077 12.221 -5.456 1.00 0.00 C ATOM 995 C SER A 68 -3.758 11.323 -6.653 1.00 0.00 C ATOM 996 O SER A 68 -3.876 10.101 -6.566 1.00 0.00 O ATOM 997 CB SER A 68 -5.454 12.866 -5.628 1.00 0.00 C ATOM 998 OG SER A 68 -5.525 13.667 -6.804 1.00 0.00 O ATOM 0 H SER A 68 -3.182 14.072 -5.861 1.00 0.00 H new ATOM 0 HA SER A 68 -4.101 11.615 -4.551 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.216 12.088 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.678 13.481 -4.756 1.00 0.00 H new ATOM 0 HG SER A 68 -6.420 14.060 -6.879 1.00 0.00 H new ATOM 1004 N HIS A 69 -3.361 11.962 -7.743 1.00 0.00 N ATOM 1005 CA HIS A 69 -3.025 11.236 -8.956 1.00 0.00 C ATOM 1006 C HIS A 69 -2.050 10.105 -8.624 1.00 0.00 C ATOM 1007 O HIS A 69 -2.053 9.065 -9.281 1.00 0.00 O ATOM 1008 CB HIS A 69 -2.487 12.187 -10.027 1.00 0.00 C ATOM 1009 CG HIS A 69 -3.205 13.514 -10.087 1.00 0.00 C ATOM 1010 ND1 HIS A 69 -2.578 14.689 -10.465 1.00 0.00 N ATOM 1011 CD2 HIS A 69 -4.501 13.839 -9.814 1.00 0.00 C ATOM 1012 CE1 HIS A 69 -3.466 15.671 -10.417 1.00 0.00 C ATOM 1013 NE2 HIS A 69 -4.657 15.142 -10.013 1.00 0.00 N ATOM 0 H HIS A 69 -3.264 12.975 -7.812 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.924 10.783 -9.373 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.428 12.367 -9.840 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.561 11.701 -11.000 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.270 13.153 -9.491 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.280 16.708 -10.656 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.525 15.662 -9.885 1.00 0.00 H new ATOM 1021 N SER A 70 -1.240 10.346 -7.603 1.00 0.00 N ATOM 1022 CA SER A 70 -0.262 9.360 -7.175 1.00 0.00 C ATOM 1023 C SER A 70 -0.968 8.179 -6.507 1.00 0.00 C ATOM 1024 O SER A 70 -0.739 7.026 -6.872 1.00 0.00 O ATOM 1025 CB SER A 70 0.760 9.978 -6.219 1.00 0.00 C ATOM 1026 OG SER A 70 0.155 10.892 -5.309 1.00 0.00 O ATOM 0 H SER A 70 -1.241 11.209 -7.060 1.00 0.00 H new ATOM 0 HA SER A 70 0.273 9.004 -8.055 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.258 9.186 -5.660 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.529 10.494 -6.794 1.00 0.00 H new ATOM 0 HG SER A 70 0.840 11.264 -4.715 1.00 0.00 H new ATOM 1032 N ALA A 71 -1.812 8.505 -5.539 1.00 0.00 N ATOM 1033 CA ALA A 71 -2.552 7.485 -4.816 1.00 0.00 C ATOM 1034 C ALA A 71 -3.511 6.779 -5.778 1.00 0.00 C ATOM 1035 O ALA A 71 -3.847 5.613 -5.580 1.00 0.00 O ATOM 1036 CB ALA A 71 -3.280 8.125 -3.632 1.00 0.00 C ATOM 0 H ALA A 71 -2.000 9.461 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.875 6.732 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.835 7.360 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.553 8.587 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.971 8.884 -3.997 1.00 0.00 H new ATOM 1042 N LEU A 72 -3.925 7.517 -6.798 1.00 0.00 N ATOM 1043 CA LEU A 72 -4.838 6.976 -7.790 1.00 0.00 C ATOM 1044 C LEU A 72 -4.096 5.959 -8.659 1.00 0.00 C ATOM 1045 O LEU A 72 -4.605 4.870 -8.919 1.00 0.00 O ATOM 1046 CB LEU A 72 -5.492 8.106 -8.588 1.00 0.00 C ATOM 1047 CG LEU A 72 -6.988 8.318 -8.347 1.00 0.00 C ATOM 1048 CD1 LEU A 72 -7.239 9.601 -7.551 1.00 0.00 C ATOM 1049 CD2 LEU A 72 -7.763 8.301 -9.666 1.00 0.00 C ATOM 0 H LEU A 72 -3.645 8.485 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.656 6.444 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.972 9.036 -8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.339 7.910 -9.649 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.358 7.488 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.310 9.728 -7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.736 9.535 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.850 10.455 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.824 8.454 -9.467 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.397 9.098 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.621 7.339 -10.159 1.00 0.00 H new ATOM 1061 N SER A 73 -2.904 6.351 -9.086 1.00 0.00 N ATOM 1062 CA SER A 73 -2.087 5.487 -9.920 1.00 0.00 C ATOM 1063 C SER A 73 -1.773 4.186 -9.178 1.00 0.00 C ATOM 1064 O SER A 73 -2.072 3.099 -9.669 1.00 0.00 O ATOM 1065 CB SER A 73 -0.792 6.187 -10.336 1.00 0.00 C ATOM 1066 OG SER A 73 -0.832 6.625 -11.691 1.00 0.00 O ATOM 0 H SER A 73 -2.485 7.255 -8.870 1.00 0.00 H new ATOM 0 HA SER A 73 -2.649 5.255 -10.824 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.617 7.043 -9.684 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.048 5.506 -10.200 1.00 0.00 H new ATOM 0 HG SER A 73 0.012 7.068 -11.917 1.00 0.00 H new ATOM 1072 N VAL A 74 -1.174 4.341 -8.006 1.00 0.00 N ATOM 1073 CA VAL A 74 -0.816 3.193 -7.191 1.00 0.00 C ATOM 1074 C VAL A 74 -2.073 2.374 -6.892 1.00 0.00 C ATOM 1075 O VAL A 74 -2.005 1.153 -6.758 1.00 0.00 O ATOM 1076 CB VAL A 74 -0.088 3.655 -5.927 1.00 0.00 C ATOM 1077 CG1 VAL A 74 -0.906 4.709 -5.178 1.00 0.00 C ATOM 1078 CG2 VAL A 74 0.240 2.468 -5.018 1.00 0.00 C ATOM 0 H VAL A 74 -0.928 5.244 -7.602 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.125 2.543 -7.728 1.00 0.00 H new ATOM 0 HB VAL A 74 0.853 4.114 -6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.366 5.020 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.066 5.572 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.869 4.286 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.757 2.824 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.683 1.967 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.880 1.766 -5.553 1.00 0.00 H new ATOM 1088 N LEU A 75 -3.191 3.078 -6.795 1.00 0.00 N ATOM 1089 CA LEU A 75 -4.461 2.432 -6.514 1.00 0.00 C ATOM 1090 C LEU A 75 -4.775 1.429 -7.626 1.00 0.00 C ATOM 1091 O LEU A 75 -5.297 0.347 -7.362 1.00 0.00 O ATOM 1092 CB LEU A 75 -5.558 3.477 -6.300 1.00 0.00 C ATOM 1093 CG LEU A 75 -5.755 3.958 -4.861 1.00 0.00 C ATOM 1094 CD1 LEU A 75 -7.040 3.382 -4.262 1.00 0.00 C ATOM 1095 CD2 LEU A 75 -4.529 3.638 -4.004 1.00 0.00 C ATOM 0 H LEU A 75 -3.243 4.091 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.404 1.868 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.334 4.342 -6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.501 3.063 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.864 5.042 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.156 3.739 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.895 3.703 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.985 2.293 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.695 3.990 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.364 2.561 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.653 4.135 -4.422 1.00 0.00 H new ATOM 1107 N ASP A 76 -4.444 1.825 -8.847 1.00 0.00 N ATOM 1108 CA ASP A 76 -4.684 0.974 -10.000 1.00 0.00 C ATOM 1109 C ASP A 76 -3.613 -0.117 -10.055 1.00 0.00 C ATOM 1110 O ASP A 76 -3.932 -1.303 -10.119 1.00 0.00 O ATOM 1111 CB ASP A 76 -4.610 1.776 -11.301 1.00 0.00 C ATOM 1112 CG ASP A 76 -5.937 2.382 -11.763 1.00 0.00 C ATOM 1113 OD1 ASP A 76 -6.715 1.631 -12.391 1.00 0.00 O ATOM 1114 OD2 ASP A 76 -6.143 3.581 -11.479 1.00 0.00 O ATOM 0 H ASP A 76 -4.012 2.723 -9.062 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.680 0.542 -9.899 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.885 2.580 -11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.230 1.126 -12.090 1.00 0.00 H new ATOM 1119 N VAL A 77 -2.364 0.323 -10.029 1.00 0.00 N ATOM 1120 CA VAL A 77 -1.243 -0.601 -10.076 1.00 0.00 C ATOM 1121 C VAL A 77 -1.248 -1.465 -8.813 1.00 0.00 C ATOM 1122 O VAL A 77 -0.520 -2.453 -8.730 1.00 0.00 O ATOM 1123 CB VAL A 77 0.064 0.171 -10.268 1.00 0.00 C ATOM 1124 CG1 VAL A 77 0.659 0.586 -8.921 1.00 0.00 C ATOM 1125 CG2 VAL A 77 1.069 -0.647 -11.082 1.00 0.00 C ATOM 0 H VAL A 77 -2.103 1.308 -9.976 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.336 -1.272 -10.930 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.162 1.078 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.587 1.133 -9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.049 1.224 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.863 -0.303 -8.324 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.989 -0.076 -11.204 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.287 -1.579 -10.560 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.648 -0.870 -12.062 1.00 0.00 H new ATOM 1135 N ASP A 78 -2.075 -1.060 -7.861 1.00 0.00 N ATOM 1136 CA ASP A 78 -2.184 -1.785 -6.606 1.00 0.00 C ATOM 1137 C ASP A 78 -2.262 -3.286 -6.894 1.00 0.00 C ATOM 1138 O ASP A 78 -1.699 -4.093 -6.157 1.00 0.00 O ATOM 1139 CB ASP A 78 -3.449 -1.383 -5.845 1.00 0.00 C ATOM 1140 CG ASP A 78 -4.733 -2.065 -6.320 1.00 0.00 C ATOM 1141 OD1 ASP A 78 -4.978 -2.024 -7.545 1.00 0.00 O ATOM 1142 OD2 ASP A 78 -5.442 -2.612 -5.447 1.00 0.00 O ATOM 0 H ASP A 78 -2.676 -0.239 -7.933 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.309 -1.546 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.306 -1.607 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.577 -0.304 -5.927 1.00 0.00 H new ATOM 1147 N GLY A 79 -2.966 -3.614 -7.968 1.00 0.00 N ATOM 1148 CA GLY A 79 -3.125 -5.003 -8.362 1.00 0.00 C ATOM 1149 C GLY A 79 -1.776 -5.724 -8.390 1.00 0.00 C ATOM 1150 O GLY A 79 -1.720 -6.949 -8.299 1.00 0.00 O ATOM 0 H GLY A 79 -3.432 -2.942 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.796 -5.507 -7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.589 -5.054 -9.347 1.00 0.00 H new ATOM 1154 N MET A 80 -0.721 -4.932 -8.516 1.00 0.00 N ATOM 1155 CA MET A 80 0.624 -5.479 -8.557 1.00 0.00 C ATOM 1156 C MET A 80 0.867 -6.426 -7.380 1.00 0.00 C ATOM 1157 O MET A 80 0.090 -6.450 -6.427 1.00 0.00 O ATOM 1158 CB MET A 80 1.642 -4.337 -8.512 1.00 0.00 C ATOM 1159 CG MET A 80 1.552 -3.574 -7.189 1.00 0.00 C ATOM 1160 SD MET A 80 2.503 -2.067 -7.287 1.00 0.00 S ATOM 1161 CE MET A 80 2.134 -1.363 -5.689 1.00 0.00 C ATOM 0 H MET A 80 -0.771 -3.916 -8.591 1.00 0.00 H new ATOM 0 HA MET A 80 0.738 -6.043 -9.483 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.648 -4.737 -8.638 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.465 -3.654 -9.343 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.511 -3.343 -6.963 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.924 -4.196 -6.375 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.701 -0.371 -5.820 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.424 -2.003 -5.165 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.051 -1.285 -5.105 1.00 0.00 H new ATOM 1171 N LYS A 81 1.950 -7.183 -7.484 1.00 0.00 N ATOM 1172 CA LYS A 81 2.305 -8.129 -6.440 1.00 0.00 C ATOM 1173 C LYS A 81 3.646 -7.723 -5.825 1.00 0.00 C ATOM 1174 O LYS A 81 4.570 -7.338 -6.539 1.00 0.00 O ATOM 1175 CB LYS A 81 2.286 -9.559 -6.984 1.00 0.00 C ATOM 1176 CG LYS A 81 0.870 -10.138 -6.956 1.00 0.00 C ATOM 1177 CD LYS A 81 0.676 -11.166 -8.071 1.00 0.00 C ATOM 1178 CE LYS A 81 0.351 -10.480 -9.400 1.00 0.00 C ATOM 1179 NZ LYS A 81 0.924 -11.243 -10.531 1.00 0.00 N ATOM 0 H LYS A 81 2.593 -7.160 -8.275 1.00 0.00 H new ATOM 0 HA LYS A 81 1.566 -8.107 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.666 -9.568 -8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.951 -10.186 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.684 -10.605 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.142 -9.334 -7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.580 -11.766 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.130 -11.850 -7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.729 -10.398 -9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.749 -9.465 -9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.694 -10.764 -11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.957 -11.299 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.524 -12.203 -10.540 1.00 0.00 H new ATOM 1193 N VAL A 82 3.709 -7.822 -4.505 1.00 0.00 N ATOM 1194 CA VAL A 82 4.920 -7.470 -3.785 1.00 0.00 C ATOM 1195 C VAL A 82 5.439 -8.699 -3.037 1.00 0.00 C ATOM 1196 O VAL A 82 4.710 -9.309 -2.256 1.00 0.00 O ATOM 1197 CB VAL A 82 4.654 -6.278 -2.864 1.00 0.00 C ATOM 1198 CG1 VAL A 82 5.856 -6.007 -1.956 1.00 0.00 C ATOM 1199 CG2 VAL A 82 4.286 -5.032 -3.672 1.00 0.00 C ATOM 0 H VAL A 82 2.940 -8.141 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 82 5.700 -7.159 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 82 3.804 -6.529 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.640 -5.155 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.053 -6.886 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.731 -5.787 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.102 -4.199 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.106 -4.778 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.387 -5.229 -4.256 1.00 0.00 H new ATOM 1209 N LYS A 83 6.696 -9.027 -3.301 1.00 0.00 N ATOM 1210 CA LYS A 83 7.321 -10.172 -2.662 1.00 0.00 C ATOM 1211 C LYS A 83 6.509 -11.431 -2.975 1.00 0.00 C ATOM 1212 O LYS A 83 6.354 -12.302 -2.121 1.00 0.00 O ATOM 1213 CB LYS A 83 7.506 -9.917 -1.165 1.00 0.00 C ATOM 1214 CG LYS A 83 8.562 -8.838 -0.920 1.00 0.00 C ATOM 1215 CD LYS A 83 9.795 -9.425 -0.230 1.00 0.00 C ATOM 1216 CE LYS A 83 10.874 -8.357 -0.033 1.00 0.00 C ATOM 1217 NZ LYS A 83 11.903 -8.830 0.920 1.00 0.00 N ATOM 0 H LYS A 83 7.298 -8.519 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 83 8.323 -10.330 -3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.557 -9.609 -0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.803 -10.841 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.852 -8.386 -1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.140 -8.044 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.511 -9.843 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.194 -10.245 -0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.338 -8.119 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.421 -7.438 0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.581 -8.064 1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.447 -9.115 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.405 -9.644 0.513 1.00 0.00 H new ATOM 1231 N GLY A 84 6.013 -11.487 -4.203 1.00 0.00 N ATOM 1232 CA GLY A 84 5.222 -12.624 -4.639 1.00 0.00 C ATOM 1233 C GLY A 84 3.887 -12.682 -3.893 1.00 0.00 C ATOM 1234 O GLY A 84 3.159 -13.668 -3.993 1.00 0.00 O ATOM 0 H GLY A 84 6.144 -10.763 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.041 -12.555 -5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.778 -13.546 -4.468 1.00 0.00 H new ATOM 1238 N ARG A 85 3.608 -11.614 -3.161 1.00 0.00 N ATOM 1239 CA ARG A 85 2.374 -11.531 -2.398 1.00 0.00 C ATOM 1240 C ARG A 85 1.415 -10.532 -3.047 1.00 0.00 C ATOM 1241 O ARG A 85 1.825 -9.444 -3.451 1.00 0.00 O ATOM 1242 CB ARG A 85 2.647 -11.102 -0.955 1.00 0.00 C ATOM 1243 CG ARG A 85 2.553 -12.295 -0.001 1.00 0.00 C ATOM 1244 CD ARG A 85 1.094 -12.637 0.307 1.00 0.00 C ATOM 1245 NE ARG A 85 0.731 -13.923 -0.328 1.00 0.00 N ATOM 1246 CZ ARG A 85 1.308 -15.096 -0.034 1.00 0.00 C ATOM 1247 NH1 ARG A 85 2.279 -15.153 0.888 1.00 0.00 N ATOM 1248 NH2 ARG A 85 0.914 -16.213 -0.661 1.00 0.00 N ATOM 0 H ARG A 85 4.215 -10.799 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 85 1.921 -12.522 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.638 -10.654 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.930 -10.337 -0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.047 -13.160 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.080 -12.067 0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.946 -12.700 1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.441 -11.844 -0.058 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.005 -13.916 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.579 -14.303 1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.718 -16.046 1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.175 -16.170 -1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.354 -17.106 -0.437 1.00 0.00 H new ATOM 1262 N ALA A 86 0.155 -10.935 -3.127 1.00 0.00 N ATOM 1263 CA ALA A 86 -0.866 -10.089 -3.720 1.00 0.00 C ATOM 1264 C ALA A 86 -1.233 -8.976 -2.737 1.00 0.00 C ATOM 1265 O ALA A 86 -1.712 -9.247 -1.637 1.00 0.00 O ATOM 1266 CB ALA A 86 -2.073 -10.943 -4.112 1.00 0.00 C ATOM 0 H ALA A 86 -0.182 -11.837 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.493 -9.617 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.839 -10.308 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.765 -11.699 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.477 -11.431 -3.225 1.00 0.00 H new ATOM 1272 N VAL A 87 -0.996 -7.746 -3.169 1.00 0.00 N ATOM 1273 CA VAL A 87 -1.296 -6.590 -2.341 1.00 0.00 C ATOM 1274 C VAL A 87 -2.623 -5.976 -2.792 1.00 0.00 C ATOM 1275 O VAL A 87 -3.059 -6.193 -3.921 1.00 0.00 O ATOM 1276 CB VAL A 87 -0.132 -5.598 -2.385 1.00 0.00 C ATOM 1277 CG1 VAL A 87 1.148 -6.231 -1.836 1.00 0.00 C ATOM 1278 CG2 VAL A 87 0.083 -5.068 -3.804 1.00 0.00 C ATOM 0 H VAL A 87 -0.599 -7.525 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.413 -6.887 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.388 -4.752 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.960 -5.505 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.988 -6.537 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.409 -7.103 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.916 -4.365 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.307 -5.899 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.820 -4.562 -4.144 1.00 0.00 H new ATOM 1288 N LYS A 88 -3.227 -5.221 -1.886 1.00 0.00 N ATOM 1289 CA LYS A 88 -4.494 -4.573 -2.177 1.00 0.00 C ATOM 1290 C LYS A 88 -4.495 -3.168 -1.571 1.00 0.00 C ATOM 1291 O LYS A 88 -4.479 -3.014 -0.351 1.00 0.00 O ATOM 1292 CB LYS A 88 -5.661 -5.445 -1.709 1.00 0.00 C ATOM 1293 CG LYS A 88 -6.911 -5.187 -2.552 1.00 0.00 C ATOM 1294 CD LYS A 88 -8.014 -6.196 -2.221 1.00 0.00 C ATOM 1295 CE LYS A 88 -9.262 -5.941 -3.068 1.00 0.00 C ATOM 1296 NZ LYS A 88 -10.268 -5.181 -2.292 1.00 0.00 N ATOM 0 H LYS A 88 -2.862 -5.044 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.624 -4.456 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.383 -6.497 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.876 -5.239 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.273 -4.175 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.660 -5.252 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.651 -7.208 -2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.268 -6.129 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.992 -5.386 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.687 -6.890 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -11.109 -5.016 -2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.538 -5.725 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.865 -4.268 -2.001 1.00 0.00 H new ATOM 1310 N ILE A 89 -4.514 -2.179 -2.452 1.00 0.00 N ATOM 1311 CA ILE A 89 -4.517 -0.791 -2.019 1.00 0.00 C ATOM 1312 C ILE A 89 -5.850 -0.145 -2.402 1.00 0.00 C ATOM 1313 O ILE A 89 -6.140 0.034 -3.584 1.00 0.00 O ATOM 1314 CB ILE A 89 -3.295 -0.055 -2.572 1.00 0.00 C ATOM 1315 CG1 ILE A 89 -2.013 -0.851 -2.317 1.00 0.00 C ATOM 1316 CG2 ILE A 89 -3.210 1.365 -2.010 1.00 0.00 C ATOM 1317 CD1 ILE A 89 -1.193 -0.995 -3.601 1.00 0.00 C ATOM 0 H ILE A 89 -4.527 -2.310 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.433 -0.730 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.409 0.033 -3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.416 -0.351 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.265 -1.838 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.333 1.866 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.107 1.920 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.130 1.322 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.287 -1.564 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.784 -1.516 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.923 -0.007 -3.973 1.00 0.00 H new ATOM 1329 N SER A 90 -6.625 0.187 -1.380 1.00 0.00 N ATOM 1330 CA SER A 90 -7.920 0.809 -1.595 1.00 0.00 C ATOM 1331 C SER A 90 -7.941 2.205 -0.968 1.00 0.00 C ATOM 1332 O SER A 90 -6.934 2.661 -0.427 1.00 0.00 O ATOM 1333 CB SER A 90 -9.047 -0.049 -1.017 1.00 0.00 C ATOM 1334 OG SER A 90 -8.925 -1.417 -1.397 1.00 0.00 O ATOM 0 H SER A 90 -6.381 0.037 -0.401 1.00 0.00 H new ATOM 0 HA SER A 90 -8.082 0.897 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.040 0.027 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.008 0.337 -1.357 1.00 0.00 H new ATOM 0 HG SER A 90 -9.662 -1.932 -1.007 1.00 0.00 H new ATOM 1340 N GLY A 91 -9.098 2.843 -1.061 1.00 0.00 N ATOM 1341 CA GLY A 91 -9.263 4.177 -0.509 1.00 0.00 C ATOM 1342 C GLY A 91 -10.296 4.180 0.620 1.00 0.00 C ATOM 1343 O GLY A 91 -11.474 3.914 0.388 1.00 0.00 O ATOM 0 H GLY A 91 -9.930 2.461 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.306 4.539 -0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.577 4.864 -1.295 1.00 0.00 H new ATOM 1347 N PRO A 92 -9.804 4.492 1.848 1.00 0.00 N ATOM 1348 CA PRO A 92 -10.671 4.533 3.013 1.00 0.00 C ATOM 1349 C PRO A 92 -11.542 5.791 3.005 1.00 0.00 C ATOM 1350 O PRO A 92 -11.328 6.705 3.800 1.00 0.00 O ATOM 1351 CB PRO A 92 -9.731 4.470 4.206 1.00 0.00 C ATOM 1352 CG PRO A 92 -8.361 4.864 3.679 1.00 0.00 C ATOM 1353 CD PRO A 92 -8.414 4.813 2.160 1.00 0.00 C ATOM 0 HA PRO A 92 -11.381 3.706 3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.056 5.148 4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.711 3.468 4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.095 5.865 4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.597 4.185 4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.120 5.766 1.721 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.735 4.057 1.765 1.00 0.00 H new ATOM 1361 N SER A 93 -12.506 5.798 2.096 1.00 0.00 N ATOM 1362 CA SER A 93 -13.411 6.929 1.973 1.00 0.00 C ATOM 1363 C SER A 93 -14.527 6.822 3.013 1.00 0.00 C ATOM 1364 O SER A 93 -15.399 5.960 2.907 1.00 0.00 O ATOM 1365 CB SER A 93 -14.003 7.010 0.565 1.00 0.00 C ATOM 1366 OG SER A 93 -14.788 5.863 0.249 1.00 0.00 O ATOM 0 H SER A 93 -12.680 5.039 1.438 1.00 0.00 H new ATOM 0 HA SER A 93 -12.843 7.842 2.152 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.619 7.905 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.197 7.109 -0.162 1.00 0.00 H new ATOM 0 HG SER A 93 -15.212 5.522 1.064 1.00 0.00 H new ATOM 1372 N SER A 94 -14.465 7.709 3.995 1.00 0.00 N ATOM 1373 CA SER A 94 -15.460 7.725 5.054 1.00 0.00 C ATOM 1374 C SER A 94 -15.337 6.461 5.906 1.00 0.00 C ATOM 1375 O SER A 94 -16.028 5.473 5.661 1.00 0.00 O ATOM 1376 CB SER A 94 -16.873 7.843 4.480 1.00 0.00 C ATOM 1377 OG SER A 94 -17.018 8.992 3.649 1.00 0.00 O ATOM 0 H SER A 94 -13.741 8.422 4.080 1.00 0.00 H new ATOM 0 HA SER A 94 -15.278 8.598 5.681 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.106 6.947 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.593 7.893 5.297 1.00 0.00 H new ATOM 0 HG SER A 94 -17.933 9.030 3.301 1.00 0.00 H new ATOM 1383 N GLY A 95 -14.453 6.533 6.890 1.00 0.00 N ATOM 1384 CA GLY A 95 -14.231 5.406 7.781 1.00 0.00 C ATOM 1385 C GLY A 95 -12.744 5.058 7.864 1.00 0.00 C ATOM 1386 O GLY A 95 -12.111 4.772 6.849 1.00 0.00 O ATOM 0 H GLY A 95 -13.882 7.354 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -14.609 5.644 8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.791 4.541 7.426 1.00 0.00 H new TER 1390 GLY A 95