USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 746 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 46 SER OG : rot 90:sc= -1.56 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -174:sc= -5.15! (180deg=-5.42!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= -0.0884 (180deg=-0.707) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -52:sc= 0.045 USER MOD Single : A 27 LYS NZ :NH3+ -115:sc= -13! (180deg=-18.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -130:sc= -0.437 USER MOD Single : A 40 SER OG : rot 68:sc= 0.234 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -121:sc= -0.588 (180deg=-2.33!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -24:sc= 0.366 USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= -3.34 (180deg=-3.34) USER MOD Single : A 68 THR OG1 : rot 20:sc= 0.146 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00894 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 87:sc= 0.221 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.757 0.344 -3.055 1.00 0.00 N ATOM 2 CA MET A 1 -17.463 -0.943 -2.798 1.00 0.00 C ATOM 3 C MET A 1 -18.629 -1.086 -3.781 1.00 0.00 C ATOM 4 O MET A 1 -18.562 -1.846 -4.728 1.00 0.00 O ATOM 5 CB MET A 1 -17.992 -0.955 -1.358 1.00 0.00 C ATOM 6 CG MET A 1 -18.524 -2.349 -1.013 1.00 0.00 C ATOM 7 SD MET A 1 -17.171 -3.373 -0.381 1.00 0.00 S ATOM 8 CE MET A 1 -17.407 -3.011 1.376 1.00 0.00 C ATOM 0 H1 MET A 1 -15.965 0.444 -2.389 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.394 0.352 -4.029 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.420 1.135 -2.926 1.00 0.00 H new ATOM 0 HA MET A 1 -16.773 -1.775 -2.934 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.197 -0.678 -0.666 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.784 -0.215 -1.246 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.316 -2.273 -0.268 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.962 -2.812 -1.897 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.663 -3.551 1.962 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.295 -1.940 1.545 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.406 -3.324 1.681 1.00 0.00 H new ATOM 17 N GLU A 2 -19.694 -0.357 -3.566 1.00 0.00 N ATOM 18 CA GLU A 2 -20.865 -0.444 -4.486 1.00 0.00 C ATOM 19 C GLU A 2 -20.692 0.568 -5.621 1.00 0.00 C ATOM 20 O GLU A 2 -21.037 0.307 -6.757 1.00 0.00 O ATOM 21 CB GLU A 2 -22.148 -0.130 -3.709 1.00 0.00 C ATOM 22 CG GLU A 2 -23.366 -0.592 -4.515 1.00 0.00 C ATOM 23 CD GLU A 2 -24.620 0.124 -4.003 1.00 0.00 C ATOM 24 OE1 GLU A 2 -24.863 1.236 -4.442 1.00 0.00 O ATOM 25 OE2 GLU A 2 -25.314 -0.453 -3.182 1.00 0.00 O ATOM 0 H GLU A 2 -19.802 0.296 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 2 -20.931 -1.449 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.130 -0.630 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.214 0.940 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -23.218 -0.377 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -23.488 -1.671 -4.423 1.00 0.00 H new ATOM 32 N LYS A 3 -20.161 1.723 -5.316 1.00 0.00 N ATOM 33 CA LYS A 3 -19.959 2.762 -6.370 1.00 0.00 C ATOM 34 C LYS A 3 -18.669 2.466 -7.140 1.00 0.00 C ATOM 35 O LYS A 3 -18.315 3.172 -8.067 1.00 0.00 O ATOM 36 CB LYS A 3 -19.855 4.142 -5.713 1.00 0.00 C ATOM 37 CG LYS A 3 -20.965 4.304 -4.667 1.00 0.00 C ATOM 38 CD LYS A 3 -21.179 5.791 -4.361 1.00 0.00 C ATOM 39 CE LYS A 3 -19.888 6.403 -3.807 1.00 0.00 C ATOM 40 NZ LYS A 3 -19.391 5.578 -2.668 1.00 0.00 N ATOM 0 H LYS A 3 -19.858 1.993 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 3 -20.804 2.749 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.879 4.258 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -19.939 4.922 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -21.891 3.862 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.698 3.771 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -21.481 6.317 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -21.987 5.910 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.132 6.452 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.071 7.425 -3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.689 6.121 -2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.187 5.326 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.949 4.711 -3.034 1.00 0.00 H new ATOM 54 N GLY A 4 -17.962 1.433 -6.762 1.00 0.00 N ATOM 55 CA GLY A 4 -16.691 1.089 -7.466 1.00 0.00 C ATOM 56 C GLY A 4 -15.529 1.845 -6.818 1.00 0.00 C ATOM 57 O GLY A 4 -14.494 1.279 -6.525 1.00 0.00 O ATOM 0 H GLY A 4 -18.211 0.811 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.514 0.015 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.765 1.350 -8.522 1.00 0.00 H new ATOM 61 N GLY A 5 -15.696 3.125 -6.595 1.00 0.00 N ATOM 62 CA GLY A 5 -14.608 3.929 -5.967 1.00 0.00 C ATOM 63 C GLY A 5 -13.534 4.240 -7.011 1.00 0.00 C ATOM 64 O GLY A 5 -13.738 5.042 -7.902 1.00 0.00 O ATOM 0 H GLY A 5 -16.542 3.647 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.014 4.855 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.171 3.380 -5.133 1.00 0.00 H new ATOM 68 N GLU A 6 -12.391 3.612 -6.906 1.00 0.00 N ATOM 69 CA GLU A 6 -11.297 3.865 -7.888 1.00 0.00 C ATOM 70 C GLU A 6 -10.589 2.548 -8.203 1.00 0.00 C ATOM 71 O GLU A 6 -9.394 2.513 -8.428 1.00 0.00 O ATOM 72 CB GLU A 6 -10.294 4.861 -7.294 1.00 0.00 C ATOM 73 CG GLU A 6 -9.506 5.535 -8.421 1.00 0.00 C ATOM 74 CD GLU A 6 -8.028 5.615 -8.034 1.00 0.00 C ATOM 75 OE1 GLU A 6 -7.316 4.654 -8.280 1.00 0.00 O ATOM 76 OE2 GLU A 6 -7.635 6.635 -7.494 1.00 0.00 O ATOM 0 H GLU A 6 -12.169 2.932 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.716 4.282 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.819 5.613 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.612 4.345 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.620 4.971 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.899 6.535 -8.606 1.00 0.00 H new ATOM 83 N ALA A 7 -11.325 1.464 -8.208 1.00 0.00 N ATOM 84 CA ALA A 7 -10.729 0.124 -8.496 1.00 0.00 C ATOM 85 C ALA A 7 -10.021 -0.405 -7.247 1.00 0.00 C ATOM 86 O ALA A 7 -10.159 -1.561 -6.895 1.00 0.00 O ATOM 87 CB ALA A 7 -9.731 0.216 -9.657 1.00 0.00 C ATOM 0 H ALA A 7 -12.328 1.452 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.529 -0.560 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.308 -0.769 -9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.244 0.574 -10.550 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.931 0.909 -9.395 1.00 0.00 H new ATOM 93 N LEU A 8 -9.276 0.428 -6.565 1.00 0.00 N ATOM 94 CA LEU A 8 -8.563 -0.007 -5.331 1.00 0.00 C ATOM 95 C LEU A 8 -9.113 0.801 -4.151 1.00 0.00 C ATOM 96 O LEU A 8 -8.959 0.433 -3.003 1.00 0.00 O ATOM 97 CB LEU A 8 -7.072 0.306 -5.515 1.00 0.00 C ATOM 98 CG LEU A 8 -6.218 -0.301 -4.390 1.00 0.00 C ATOM 99 CD1 LEU A 8 -6.253 0.608 -3.157 1.00 0.00 C ATOM 100 CD2 LEU A 8 -6.735 -1.697 -4.020 1.00 0.00 C ATOM 0 H LEU A 8 -9.131 1.406 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.703 -1.072 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.735 -0.082 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.928 1.386 -5.539 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.190 -0.389 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.645 0.170 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.857 1.590 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.281 0.711 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.120 -2.113 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.768 -1.624 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.685 -2.347 -4.894 1.00 0.00 H new ATOM 112 N LYS A 9 -9.732 1.923 -4.443 1.00 0.00 N ATOM 113 CA LYS A 9 -10.288 2.816 -3.376 1.00 0.00 C ATOM 114 C LYS A 9 -11.074 2.025 -2.322 1.00 0.00 C ATOM 115 O LYS A 9 -11.282 0.832 -2.430 1.00 0.00 O ATOM 116 CB LYS A 9 -11.215 3.849 -4.021 1.00 0.00 C ATOM 117 CG LYS A 9 -11.067 5.199 -3.310 1.00 0.00 C ATOM 118 CD LYS A 9 -12.423 5.909 -3.271 1.00 0.00 C ATOM 119 CE LYS A 9 -12.217 7.397 -2.980 1.00 0.00 C ATOM 120 NZ LYS A 9 -13.540 8.045 -2.750 1.00 0.00 N ATOM 0 H LYS A 9 -9.877 2.262 -5.394 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.452 3.305 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.974 3.957 -5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.249 3.509 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.694 5.049 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.336 5.818 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.938 5.783 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.056 5.463 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.581 7.523 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.706 7.875 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.401 9.057 -2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.132 7.936 -3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.011 7.595 -1.939 1.00 0.00 H new ATOM 134 N GLY A 10 -11.514 2.710 -1.298 1.00 0.00 N ATOM 135 CA GLY A 10 -12.286 2.042 -0.210 1.00 0.00 C ATOM 136 C GLY A 10 -11.313 1.301 0.709 1.00 0.00 C ATOM 137 O GLY A 10 -11.674 0.855 1.782 1.00 0.00 O ATOM 0 H GLY A 10 -11.370 3.711 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.852 2.780 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.008 1.345 -0.634 1.00 0.00 H new ATOM 141 N LEU A 11 -10.079 1.171 0.292 1.00 0.00 N ATOM 142 CA LEU A 11 -9.061 0.464 1.123 1.00 0.00 C ATOM 143 C LEU A 11 -8.070 1.484 1.683 1.00 0.00 C ATOM 144 O LEU A 11 -8.141 2.664 1.391 1.00 0.00 O ATOM 145 CB LEU A 11 -8.309 -0.553 0.256 1.00 0.00 C ATOM 146 CG LEU A 11 -8.998 -1.921 0.334 1.00 0.00 C ATOM 147 CD1 LEU A 11 -10.380 -1.843 -0.322 1.00 0.00 C ATOM 148 CD2 LEU A 11 -8.143 -2.963 -0.394 1.00 0.00 C ATOM 0 H LEU A 11 -9.731 1.529 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.557 -0.055 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.280 -0.210 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.276 -0.637 0.593 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.113 -2.209 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.866 -2.817 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.988 -1.103 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.271 -1.553 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.631 -3.936 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.027 -2.673 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.162 -3.022 0.077 1.00 0.00 H new ATOM 160 N THR A 12 -7.146 1.033 2.486 1.00 0.00 N ATOM 161 CA THR A 12 -6.141 1.960 3.073 1.00 0.00 C ATOM 162 C THR A 12 -4.803 1.228 3.196 1.00 0.00 C ATOM 163 O THR A 12 -4.752 0.067 3.552 1.00 0.00 O ATOM 164 CB THR A 12 -6.618 2.412 4.457 1.00 0.00 C ATOM 165 OG1 THR A 12 -7.791 3.201 4.313 1.00 0.00 O ATOM 166 CG2 THR A 12 -5.526 3.241 5.141 1.00 0.00 C ATOM 0 H THR A 12 -7.044 0.056 2.762 1.00 0.00 H new ATOM 0 HA THR A 12 -6.019 2.835 2.434 1.00 0.00 H new ATOM 0 HB THR A 12 -6.835 1.536 5.068 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.101 3.491 5.196 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.873 3.559 6.124 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.626 2.636 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.302 4.118 4.534 1.00 0.00 H new ATOM 174 N PHE A 13 -3.722 1.901 2.901 1.00 0.00 N ATOM 175 CA PHE A 13 -2.382 1.253 2.997 1.00 0.00 C ATOM 176 C PHE A 13 -1.497 2.067 3.943 1.00 0.00 C ATOM 177 O PHE A 13 -1.326 3.259 3.779 1.00 0.00 O ATOM 178 CB PHE A 13 -1.748 1.191 1.603 1.00 0.00 C ATOM 179 CG PHE A 13 -2.544 0.258 0.705 1.00 0.00 C ATOM 180 CD1 PHE A 13 -3.095 -0.930 1.216 1.00 0.00 C ATOM 181 CD2 PHE A 13 -2.725 0.582 -0.646 1.00 0.00 C ATOM 182 CE1 PHE A 13 -3.823 -1.784 0.377 1.00 0.00 C ATOM 183 CE2 PHE A 13 -3.453 -0.276 -1.481 1.00 0.00 C ATOM 184 CZ PHE A 13 -4.002 -1.457 -0.972 1.00 0.00 C ATOM 0 H PHE A 13 -3.710 2.875 2.597 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.485 0.240 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.716 2.189 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.718 0.843 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.957 -1.185 2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.303 1.493 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.247 -2.696 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.591 -0.024 -2.522 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.563 -2.116 -1.619 1.00 0.00 H new ATOM 194 N VAL A 14 -0.949 1.424 4.943 1.00 0.00 N ATOM 195 CA VAL A 14 -0.087 2.145 5.926 1.00 0.00 C ATOM 196 C VAL A 14 1.342 1.593 5.874 1.00 0.00 C ATOM 197 O VAL A 14 1.570 0.450 5.526 1.00 0.00 O ATOM 198 CB VAL A 14 -0.658 1.950 7.337 1.00 0.00 C ATOM 199 CG1 VAL A 14 0.073 2.851 8.330 1.00 0.00 C ATOM 200 CG2 VAL A 14 -2.149 2.303 7.340 1.00 0.00 C ATOM 0 H VAL A 14 -1.063 0.426 5.121 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.068 3.206 5.678 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.524 0.909 7.631 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.341 2.704 9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.134 2.600 8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.051 3.893 8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.554 2.164 8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.277 3.342 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.678 1.654 6.642 1.00 0.00 H new ATOM 210 N ILE A 15 2.298 2.409 6.228 1.00 0.00 N ATOM 211 CA ILE A 15 3.724 1.972 6.223 1.00 0.00 C ATOM 212 C ILE A 15 4.239 1.959 7.664 1.00 0.00 C ATOM 213 O ILE A 15 4.194 2.969 8.338 1.00 0.00 O ATOM 214 CB ILE A 15 4.559 2.982 5.425 1.00 0.00 C ATOM 215 CG1 ILE A 15 3.801 3.437 4.163 1.00 0.00 C ATOM 216 CG2 ILE A 15 5.891 2.348 5.036 1.00 0.00 C ATOM 217 CD1 ILE A 15 3.492 2.243 3.255 1.00 0.00 C ATOM 0 H ILE A 15 2.149 3.373 6.525 1.00 0.00 H new ATOM 0 HA ILE A 15 3.803 0.981 5.776 1.00 0.00 H new ATOM 0 HB ILE A 15 4.742 3.858 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.873 3.932 4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.398 4.169 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.484 3.066 4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.434 2.060 5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.709 1.465 4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.957 2.588 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.424 1.765 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.875 1.525 3.795 1.00 0.00 H new ATOM 229 N THR A 16 4.723 0.843 8.162 1.00 0.00 N ATOM 230 CA THR A 16 5.223 0.820 9.569 1.00 0.00 C ATOM 231 C THR A 16 6.502 1.662 9.655 1.00 0.00 C ATOM 232 O THR A 16 7.600 1.143 9.632 1.00 0.00 O ATOM 233 CB THR A 16 5.501 -0.642 9.974 1.00 0.00 C ATOM 234 OG1 THR A 16 4.290 -1.242 10.414 1.00 0.00 O ATOM 235 CG2 THR A 16 6.536 -0.700 11.106 1.00 0.00 C ATOM 0 H THR A 16 4.792 -0.041 7.659 1.00 0.00 H new ATOM 0 HA THR A 16 4.482 1.239 10.250 1.00 0.00 H new ATOM 0 HB THR A 16 5.895 -1.179 9.111 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.460 -2.172 10.671 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.719 -1.739 11.378 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.467 -0.243 10.771 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.157 -0.159 11.973 1.00 0.00 H new ATOM 243 N GLY A 17 6.361 2.964 9.739 1.00 0.00 N ATOM 244 CA GLY A 17 7.559 3.854 9.811 1.00 0.00 C ATOM 245 C GLY A 17 8.368 3.702 8.522 1.00 0.00 C ATOM 246 O GLY A 17 8.398 4.582 7.684 1.00 0.00 O ATOM 0 H GLY A 17 5.463 3.448 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.251 4.891 9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.172 3.592 10.674 1.00 0.00 H new ATOM 250 N GLU A 18 9.003 2.574 8.356 1.00 0.00 N ATOM 251 CA GLU A 18 9.797 2.317 7.128 1.00 0.00 C ATOM 252 C GLU A 18 9.844 0.806 6.893 1.00 0.00 C ATOM 253 O GLU A 18 10.559 0.086 7.564 1.00 0.00 O ATOM 254 CB GLU A 18 11.219 2.869 7.293 1.00 0.00 C ATOM 255 CG GLU A 18 11.710 2.636 8.727 1.00 0.00 C ATOM 256 CD GLU A 18 13.239 2.675 8.755 1.00 0.00 C ATOM 257 OE1 GLU A 18 13.844 1.631 8.573 1.00 0.00 O ATOM 258 OE2 GLU A 18 13.782 3.750 8.958 1.00 0.00 O ATOM 0 H GLU A 18 9.003 1.810 9.032 1.00 0.00 H new ATOM 0 HA GLU A 18 9.335 2.814 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.891 2.382 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.233 3.935 7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.304 3.400 9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.353 1.673 9.093 1.00 0.00 H new ATOM 265 N LEU A 19 9.075 0.318 5.953 1.00 0.00 N ATOM 266 CA LEU A 19 9.064 -1.150 5.684 1.00 0.00 C ATOM 267 C LEU A 19 10.441 -1.599 5.171 1.00 0.00 C ATOM 268 O LEU A 19 10.653 -2.766 4.912 1.00 0.00 O ATOM 269 CB LEU A 19 8.017 -1.482 4.614 1.00 0.00 C ATOM 270 CG LEU A 19 6.645 -0.933 5.018 1.00 0.00 C ATOM 271 CD1 LEU A 19 5.749 -0.843 3.780 1.00 0.00 C ATOM 272 CD2 LEU A 19 5.997 -1.866 6.041 1.00 0.00 C ATOM 0 H LEU A 19 8.456 0.872 5.362 1.00 0.00 H new ATOM 0 HA LEU A 19 8.823 -1.668 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.318 -1.056 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.957 -2.562 4.478 1.00 0.00 H new ATOM 0 HG LEU A 19 6.769 0.057 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.772 -0.453 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.206 -0.177 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.630 -1.835 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.021 -1.472 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.875 -2.857 5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.632 -1.935 6.924 1.00 0.00 H new ATOM 284 N SER A 20 11.363 -0.673 4.994 1.00 0.00 N ATOM 285 CA SER A 20 12.729 -1.011 4.467 1.00 0.00 C ATOM 286 C SER A 20 12.691 -0.975 2.937 1.00 0.00 C ATOM 287 O SER A 20 13.521 -1.554 2.263 1.00 0.00 O ATOM 288 CB SER A 20 13.183 -2.393 4.949 1.00 0.00 C ATOM 289 OG SER A 20 14.598 -2.479 4.863 1.00 0.00 O ATOM 0 H SER A 20 11.222 0.317 5.196 1.00 0.00 H new ATOM 0 HA SER A 20 13.444 -0.278 4.842 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.859 -2.557 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.722 -3.172 4.342 1.00 0.00 H new ATOM 0 HG SER A 20 14.887 -2.230 3.960 1.00 0.00 H new ATOM 295 N ARG A 21 11.722 -0.286 2.399 1.00 0.00 N ATOM 296 CA ARG A 21 11.581 -0.174 0.918 1.00 0.00 C ATOM 297 C ARG A 21 11.253 1.286 0.577 1.00 0.00 C ATOM 298 O ARG A 21 11.093 2.101 1.466 1.00 0.00 O ATOM 299 CB ARG A 21 10.440 -1.093 0.462 1.00 0.00 C ATOM 300 CG ARG A 21 11.014 -2.282 -0.318 1.00 0.00 C ATOM 301 CD ARG A 21 9.901 -2.949 -1.130 1.00 0.00 C ATOM 302 NE ARG A 21 10.373 -4.276 -1.619 1.00 0.00 N ATOM 303 CZ ARG A 21 10.038 -4.691 -2.809 1.00 0.00 C ATOM 304 NH1 ARG A 21 8.908 -5.320 -2.986 1.00 0.00 N ATOM 305 NH2 ARG A 21 10.830 -4.476 -3.823 1.00 0.00 N ATOM 0 H ARG A 21 11.010 0.213 2.932 1.00 0.00 H new ATOM 0 HA ARG A 21 12.501 -0.470 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.880 -1.449 1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.741 -0.538 -0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.810 -1.944 -0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.457 -3.002 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.010 -3.072 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.622 -2.317 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 21 10.959 -4.860 -1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.288 -5.487 -2.194 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.645 -5.645 -3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.712 -3.983 -3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.567 -4.801 -4.753 1.00 0.00 H new ATOM 319 N PRO A 22 11.139 1.626 -0.689 1.00 0.00 N ATOM 320 CA PRO A 22 10.806 3.021 -1.110 1.00 0.00 C ATOM 321 C PRO A 22 9.360 3.389 -0.746 1.00 0.00 C ATOM 322 O PRO A 22 8.673 4.078 -1.476 1.00 0.00 O ATOM 323 CB PRO A 22 11.017 3.009 -2.627 1.00 0.00 C ATOM 324 CG PRO A 22 10.848 1.584 -3.036 1.00 0.00 C ATOM 325 CD PRO A 22 11.315 0.735 -1.852 1.00 0.00 C ATOM 0 HA PRO A 22 11.423 3.766 -0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.294 3.651 -3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.008 3.379 -2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.807 1.371 -3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.436 1.364 -3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.722 -0.174 -1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.354 0.427 -1.966 1.00 0.00 H new ATOM 333 N ARG A 23 8.904 2.900 0.381 1.00 0.00 N ATOM 334 CA ARG A 23 7.509 3.158 0.851 1.00 0.00 C ATOM 335 C ARG A 23 7.125 4.637 0.709 1.00 0.00 C ATOM 336 O ARG A 23 5.961 4.977 0.749 1.00 0.00 O ATOM 337 CB ARG A 23 7.390 2.753 2.322 1.00 0.00 C ATOM 338 CG ARG A 23 8.525 3.392 3.138 1.00 0.00 C ATOM 339 CD ARG A 23 8.081 4.760 3.671 1.00 0.00 C ATOM 340 NE ARG A 23 9.066 5.801 3.260 1.00 0.00 N ATOM 341 CZ ARG A 23 10.277 5.801 3.755 1.00 0.00 C ATOM 342 NH1 ARG A 23 10.564 5.060 4.792 1.00 0.00 N ATOM 343 NH2 ARG A 23 11.202 6.543 3.211 1.00 0.00 N ATOM 0 H ARG A 23 9.456 2.318 1.010 1.00 0.00 H new ATOM 0 HA ARG A 23 6.832 2.569 0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.425 3.069 2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.432 1.668 2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.799 2.741 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.412 3.505 2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.092 5.008 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.001 4.730 4.758 1.00 0.00 H new ATOM 0 HE ARG A 23 8.794 6.518 2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.843 4.479 5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.509 5.063 5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.981 7.122 2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.147 6.544 3.596 1.00 0.00 H new ATOM 357 N GLU A 24 8.075 5.513 0.518 1.00 0.00 N ATOM 358 CA GLU A 24 7.730 6.955 0.347 1.00 0.00 C ATOM 359 C GLU A 24 7.305 7.172 -1.107 1.00 0.00 C ATOM 360 O GLU A 24 6.189 7.556 -1.395 1.00 0.00 O ATOM 361 CB GLU A 24 8.955 7.821 0.664 1.00 0.00 C ATOM 362 CG GLU A 24 8.595 8.846 1.744 1.00 0.00 C ATOM 363 CD GLU A 24 9.790 9.770 1.987 1.00 0.00 C ATOM 364 OE1 GLU A 24 9.960 10.703 1.216 1.00 0.00 O ATOM 365 OE2 GLU A 24 10.516 9.530 2.940 1.00 0.00 O ATOM 0 H GLU A 24 9.070 5.294 0.473 1.00 0.00 H new ATOM 0 HA GLU A 24 6.922 7.234 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.778 7.193 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.295 8.331 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.728 9.429 1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.322 8.336 2.668 1.00 0.00 H new ATOM 372 N GLU A 25 8.206 6.916 -2.017 1.00 0.00 N ATOM 373 CA GLU A 25 7.893 7.086 -3.467 1.00 0.00 C ATOM 374 C GLU A 25 6.580 6.358 -3.784 1.00 0.00 C ATOM 375 O GLU A 25 5.676 6.909 -4.389 1.00 0.00 O ATOM 376 CB GLU A 25 9.028 6.495 -4.310 1.00 0.00 C ATOM 377 CG GLU A 25 8.848 6.904 -5.775 1.00 0.00 C ATOM 378 CD GLU A 25 10.169 6.713 -6.526 1.00 0.00 C ATOM 379 OE1 GLU A 25 10.986 7.619 -6.487 1.00 0.00 O ATOM 380 OE2 GLU A 25 10.340 5.664 -7.127 1.00 0.00 O ATOM 0 H GLU A 25 9.153 6.594 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 25 7.790 8.146 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.991 6.847 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.031 5.408 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.065 6.303 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.530 7.945 -5.836 1.00 0.00 H new ATOM 387 N VAL A 26 6.465 5.123 -3.367 1.00 0.00 N ATOM 388 CA VAL A 26 5.214 4.362 -3.633 1.00 0.00 C ATOM 389 C VAL A 26 4.043 5.046 -2.917 1.00 0.00 C ATOM 390 O VAL A 26 2.928 5.026 -3.394 1.00 0.00 O ATOM 391 CB VAL A 26 5.368 2.916 -3.136 1.00 0.00 C ATOM 392 CG1 VAL A 26 5.159 2.854 -1.620 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.332 2.024 -3.830 1.00 0.00 C ATOM 0 H VAL A 26 7.184 4.612 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 26 5.018 4.344 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 26 6.373 2.565 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.270 1.825 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.899 3.482 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.158 3.211 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.441 0.998 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.329 2.383 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.488 2.056 -4.908 1.00 0.00 H new ATOM 403 N LYS A 27 4.289 5.659 -1.781 1.00 0.00 N ATOM 404 CA LYS A 27 3.180 6.347 -1.054 1.00 0.00 C ATOM 405 C LYS A 27 2.523 7.352 -1.999 1.00 0.00 C ATOM 406 O LYS A 27 1.316 7.509 -2.011 1.00 0.00 O ATOM 407 CB LYS A 27 3.722 7.078 0.181 1.00 0.00 C ATOM 408 CG LYS A 27 2.556 7.515 1.079 1.00 0.00 C ATOM 409 CD LYS A 27 2.443 6.581 2.294 1.00 0.00 C ATOM 410 CE LYS A 27 2.034 5.168 1.851 1.00 0.00 C ATOM 411 NZ LYS A 27 0.851 5.238 0.948 1.00 0.00 N ATOM 0 H LYS A 27 5.203 5.711 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 27 2.450 5.608 -0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.395 6.424 0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.303 7.948 -0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.709 8.541 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.625 7.500 0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.397 6.542 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.708 6.975 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.865 4.684 1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.800 4.558 2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.038 4.778 1.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.621 6.233 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.067 4.752 0.054 1.00 0.00 H new ATOM 425 N ALA A 28 3.307 8.015 -2.811 1.00 0.00 N ATOM 426 CA ALA A 28 2.728 8.986 -3.779 1.00 0.00 C ATOM 427 C ALA A 28 1.901 8.198 -4.794 1.00 0.00 C ATOM 428 O ALA A 28 0.849 8.628 -5.227 1.00 0.00 O ATOM 429 CB ALA A 28 3.854 9.734 -4.498 1.00 0.00 C ATOM 0 H ALA A 28 4.322 7.924 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 28 2.103 9.714 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.425 10.444 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.459 10.271 -3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.480 9.021 -5.034 1.00 0.00 H new ATOM 435 N LEU A 29 2.368 7.029 -5.153 1.00 0.00 N ATOM 436 CA LEU A 29 1.614 6.181 -6.117 1.00 0.00 C ATOM 437 C LEU A 29 0.401 5.575 -5.398 1.00 0.00 C ATOM 438 O LEU A 29 -0.596 5.245 -6.011 1.00 0.00 O ATOM 439 CB LEU A 29 2.529 5.058 -6.623 1.00 0.00 C ATOM 440 CG LEU A 29 2.872 5.283 -8.102 1.00 0.00 C ATOM 441 CD1 LEU A 29 3.714 6.556 -8.248 1.00 0.00 C ATOM 442 CD2 LEU A 29 3.669 4.085 -8.628 1.00 0.00 C ATOM 0 H LEU A 29 3.243 6.626 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 29 1.278 6.781 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.443 5.028 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.037 4.093 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 29 1.950 5.390 -8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.956 6.713 -9.299 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.150 7.410 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.635 6.451 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.913 4.243 -9.678 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.589 3.980 -8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.072 3.178 -8.527 1.00 0.00 H new ATOM 454 N LEU A 30 0.484 5.434 -4.097 1.00 0.00 N ATOM 455 CA LEU A 30 -0.651 4.856 -3.314 1.00 0.00 C ATOM 456 C LEU A 30 -1.781 5.886 -3.222 1.00 0.00 C ATOM 457 O LEU A 30 -2.930 5.581 -3.473 1.00 0.00 O ATOM 458 CB LEU A 30 -0.165 4.505 -1.901 1.00 0.00 C ATOM 459 CG LEU A 30 0.148 3.007 -1.806 1.00 0.00 C ATOM 460 CD1 LEU A 30 1.352 2.669 -2.688 1.00 0.00 C ATOM 461 CD2 LEU A 30 0.468 2.641 -0.354 1.00 0.00 C ATOM 0 H LEU A 30 1.297 5.697 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.017 3.957 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.725 5.086 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.928 4.772 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.719 2.441 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.568 1.603 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.127 2.924 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.219 3.239 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.690 1.576 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.332 3.214 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.390 2.872 0.277 1.00 0.00 H new ATOM 473 N ARG A 31 -1.458 7.103 -2.868 1.00 0.00 N ATOM 474 CA ARG A 31 -2.504 8.165 -2.765 1.00 0.00 C ATOM 475 C ARG A 31 -3.231 8.279 -4.108 1.00 0.00 C ATOM 476 O ARG A 31 -4.441 8.356 -4.171 1.00 0.00 O ATOM 477 CB ARG A 31 -1.839 9.501 -2.422 1.00 0.00 C ATOM 478 CG ARG A 31 -2.890 10.481 -1.894 1.00 0.00 C ATOM 479 CD ARG A 31 -2.225 11.823 -1.579 1.00 0.00 C ATOM 480 NE ARG A 31 -2.989 12.516 -0.503 1.00 0.00 N ATOM 481 CZ ARG A 31 -2.812 12.176 0.745 1.00 0.00 C ATOM 482 NH1 ARG A 31 -1.734 12.553 1.376 1.00 0.00 N ATOM 483 NH2 ARG A 31 -3.713 11.459 1.359 1.00 0.00 N ATOM 0 H ARG A 31 -0.511 7.408 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.219 7.909 -1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.061 9.349 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.354 9.914 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.678 10.619 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.361 10.077 -0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.194 11.665 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.193 12.444 -2.474 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.650 13.255 -0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.031 13.113 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.595 12.288 2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.555 11.165 0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.575 11.193 2.334 1.00 0.00 H new ATOM 497 N ARG A 32 -2.483 8.264 -5.177 1.00 0.00 N ATOM 498 CA ARG A 32 -3.101 8.345 -6.531 1.00 0.00 C ATOM 499 C ARG A 32 -4.042 7.148 -6.703 1.00 0.00 C ATOM 500 O ARG A 32 -5.025 7.208 -7.414 1.00 0.00 O ATOM 501 CB ARG A 32 -2.005 8.303 -7.602 1.00 0.00 C ATOM 502 CG ARG A 32 -2.486 9.029 -8.863 1.00 0.00 C ATOM 503 CD ARG A 32 -2.307 10.540 -8.689 1.00 0.00 C ATOM 504 NE ARG A 32 -0.871 10.894 -8.869 1.00 0.00 N ATOM 505 CZ ARG A 32 -0.460 12.107 -8.624 1.00 0.00 C ATOM 506 NH1 ARG A 32 -0.986 13.116 -9.263 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.478 12.315 -7.741 1.00 0.00 N ATOM 0 H ARG A 32 -1.465 8.199 -5.171 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.657 9.276 -6.636 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.096 8.772 -7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.755 7.269 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.923 8.684 -9.730 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.534 8.796 -9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.918 11.075 -9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.647 10.846 -7.699 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.208 10.186 -9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.719 12.956 -9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.664 14.065 -9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.891 11.528 -7.241 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.798 13.265 -7.551 1.00 0.00 H new ATOM 521 N LEU A 33 -3.723 6.059 -6.055 1.00 0.00 N ATOM 522 CA LEU A 33 -4.559 4.824 -6.152 1.00 0.00 C ATOM 523 C LEU A 33 -5.906 5.018 -5.440 1.00 0.00 C ATOM 524 O LEU A 33 -6.672 4.084 -5.295 1.00 0.00 O ATOM 525 CB LEU A 33 -3.799 3.664 -5.503 1.00 0.00 C ATOM 526 CG LEU A 33 -4.239 2.334 -6.123 1.00 0.00 C ATOM 527 CD1 LEU A 33 -4.073 2.376 -7.645 1.00 0.00 C ATOM 528 CD2 LEU A 33 -3.379 1.206 -5.552 1.00 0.00 C ATOM 0 H LEU A 33 -2.905 5.971 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.756 4.609 -7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.726 3.800 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.985 3.653 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.289 2.161 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.389 1.424 -8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.685 3.179 -8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.026 2.554 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.687 0.256 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.331 1.392 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.504 1.165 -4.470 1.00 0.00 H new ATOM 540 N GLY A 34 -6.219 6.216 -5.010 1.00 0.00 N ATOM 541 CA GLY A 34 -7.529 6.449 -4.329 1.00 0.00 C ATOM 542 C GLY A 34 -7.462 5.996 -2.866 1.00 0.00 C ATOM 543 O GLY A 34 -7.877 6.708 -1.972 1.00 0.00 O ATOM 0 H GLY A 34 -5.625 7.040 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.787 7.507 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.318 5.905 -4.849 1.00 0.00 H new ATOM 547 N ALA A 35 -6.955 4.815 -2.618 1.00 0.00 N ATOM 548 CA ALA A 35 -6.871 4.306 -1.215 1.00 0.00 C ATOM 549 C ALA A 35 -6.172 5.335 -0.322 1.00 0.00 C ATOM 550 O ALA A 35 -5.213 5.969 -0.721 1.00 0.00 O ATOM 551 CB ALA A 35 -6.078 2.997 -1.191 1.00 0.00 C ATOM 0 H ALA A 35 -6.594 4.179 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.880 4.133 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.017 2.627 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.578 2.257 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.073 3.174 -1.573 1.00 0.00 H new ATOM 557 N LYS A 36 -6.646 5.498 0.886 1.00 0.00 N ATOM 558 CA LYS A 36 -6.013 6.478 1.816 1.00 0.00 C ATOM 559 C LYS A 36 -4.613 5.985 2.184 1.00 0.00 C ATOM 560 O LYS A 36 -4.335 4.802 2.139 1.00 0.00 O ATOM 561 CB LYS A 36 -6.864 6.602 3.084 1.00 0.00 C ATOM 562 CG LYS A 36 -7.994 7.610 2.848 1.00 0.00 C ATOM 563 CD LYS A 36 -8.953 7.602 4.044 1.00 0.00 C ATOM 564 CE LYS A 36 -8.356 8.420 5.193 1.00 0.00 C ATOM 565 NZ LYS A 36 -9.367 8.565 6.279 1.00 0.00 N ATOM 0 H LYS A 36 -7.446 4.993 1.269 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.943 7.453 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.280 5.631 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.244 6.925 3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.580 8.609 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.534 7.358 1.935 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.917 8.018 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.134 6.578 4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.462 7.928 5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.050 9.402 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.961 9.120 7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.208 9.052 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.638 7.624 6.629 1.00 0.00 H new ATOM 579 N VAL A 37 -3.725 6.878 2.540 1.00 0.00 N ATOM 580 CA VAL A 37 -2.340 6.459 2.901 1.00 0.00 C ATOM 581 C VAL A 37 -2.014 6.942 4.317 1.00 0.00 C ATOM 582 O VAL A 37 -2.528 7.945 4.774 1.00 0.00 O ATOM 583 CB VAL A 37 -1.350 7.077 1.906 1.00 0.00 C ATOM 584 CG1 VAL A 37 -1.719 6.645 0.484 1.00 0.00 C ATOM 585 CG2 VAL A 37 -1.404 8.606 2.000 1.00 0.00 C ATOM 0 H VAL A 37 -3.901 7.881 2.596 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.264 5.372 2.864 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.343 6.736 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.016 7.084 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.676 5.558 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.728 6.985 0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.699 9.039 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.412 8.950 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.140 8.918 3.011 1.00 0.00 H new ATOM 595 N THR A 38 -1.160 6.236 5.010 1.00 0.00 N ATOM 596 CA THR A 38 -0.787 6.645 6.398 1.00 0.00 C ATOM 597 C THR A 38 0.484 5.900 6.813 1.00 0.00 C ATOM 598 O THR A 38 1.136 5.273 6.001 1.00 0.00 O ATOM 599 CB THR A 38 -1.928 6.298 7.371 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.988 5.668 6.665 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.448 7.578 8.033 1.00 0.00 C ATOM 0 H THR A 38 -0.702 5.389 4.673 1.00 0.00 H new ATOM 0 HA THR A 38 -0.612 7.720 6.426 1.00 0.00 H new ATOM 0 HB THR A 38 -1.550 5.620 8.136 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.836 6.106 6.888 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.256 7.329 8.721 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.638 8.058 8.582 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.821 8.258 7.267 1.00 0.00 H new ATOM 609 N ASP A 39 0.841 5.958 8.072 1.00 0.00 N ATOM 610 CA ASP A 39 2.070 5.244 8.536 1.00 0.00 C ATOM 611 C ASP A 39 1.880 4.742 9.974 1.00 0.00 C ATOM 612 O ASP A 39 2.767 4.139 10.548 1.00 0.00 O ATOM 613 CB ASP A 39 3.266 6.199 8.480 1.00 0.00 C ATOM 614 CG ASP A 39 2.986 7.424 9.358 1.00 0.00 C ATOM 615 OD1 ASP A 39 2.329 8.334 8.879 1.00 0.00 O ATOM 616 OD2 ASP A 39 3.431 7.429 10.494 1.00 0.00 O ATOM 0 H ASP A 39 0.336 6.468 8.797 1.00 0.00 H new ATOM 0 HA ASP A 39 2.252 4.389 7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.167 5.691 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.448 6.510 7.451 1.00 0.00 H new ATOM 621 N SER A 40 0.733 4.983 10.562 1.00 0.00 N ATOM 622 CA SER A 40 0.486 4.519 11.958 1.00 0.00 C ATOM 623 C SER A 40 -0.935 3.958 12.055 1.00 0.00 C ATOM 624 O SER A 40 -1.647 3.885 11.071 1.00 0.00 O ATOM 625 CB SER A 40 0.640 5.699 12.922 1.00 0.00 C ATOM 626 OG SER A 40 1.942 6.255 12.780 1.00 0.00 O ATOM 0 H SER A 40 -0.044 5.483 10.131 1.00 0.00 H new ATOM 0 HA SER A 40 1.205 3.743 12.222 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.116 6.456 12.712 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.483 5.368 13.949 1.00 0.00 H new ATOM 0 HG SER A 40 2.020 6.684 11.903 1.00 0.00 H new ATOM 632 N VAL A 41 -1.355 3.558 13.228 1.00 0.00 N ATOM 633 CA VAL A 41 -2.732 2.998 13.379 1.00 0.00 C ATOM 634 C VAL A 41 -3.341 3.448 14.706 1.00 0.00 C ATOM 635 O VAL A 41 -2.640 3.742 15.656 1.00 0.00 O ATOM 636 CB VAL A 41 -2.677 1.467 13.360 1.00 0.00 C ATOM 637 CG1 VAL A 41 -2.096 0.987 12.027 1.00 0.00 C ATOM 638 CG2 VAL A 41 -1.793 0.966 14.509 1.00 0.00 C ATOM 0 H VAL A 41 -0.805 3.595 14.086 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.344 3.359 12.552 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.686 1.073 13.480 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.059 -0.102 12.018 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.726 1.336 11.209 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.089 1.386 11.904 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.757 -0.123 14.492 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.785 1.365 14.393 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.208 1.300 15.460 1.00 0.00 H new ATOM 648 N SER A 42 -4.644 3.495 14.775 1.00 0.00 N ATOM 649 CA SER A 42 -5.317 3.913 16.035 1.00 0.00 C ATOM 650 C SER A 42 -6.536 3.021 16.282 1.00 0.00 C ATOM 651 O SER A 42 -6.665 2.409 17.325 1.00 0.00 O ATOM 652 CB SER A 42 -5.761 5.372 15.922 1.00 0.00 C ATOM 653 OG SER A 42 -6.377 5.772 17.139 1.00 0.00 O ATOM 0 H SER A 42 -5.273 3.260 14.007 1.00 0.00 H new ATOM 0 HA SER A 42 -4.621 3.814 16.868 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.903 6.010 15.709 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.459 5.488 15.093 1.00 0.00 H new ATOM 0 HG SER A 42 -6.661 6.707 17.070 1.00 0.00 H new ATOM 659 N ARG A 43 -7.430 2.940 15.328 1.00 0.00 N ATOM 660 CA ARG A 43 -8.645 2.084 15.505 1.00 0.00 C ATOM 661 C ARG A 43 -9.479 2.074 14.214 1.00 0.00 C ATOM 662 O ARG A 43 -10.663 1.794 14.238 1.00 0.00 O ATOM 663 CB ARG A 43 -9.501 2.640 16.651 1.00 0.00 C ATOM 664 CG ARG A 43 -10.229 1.491 17.357 1.00 0.00 C ATOM 665 CD ARG A 43 -11.430 2.040 18.132 1.00 0.00 C ATOM 666 NE ARG A 43 -12.273 0.908 18.610 1.00 0.00 N ATOM 667 CZ ARG A 43 -12.856 0.971 19.777 1.00 0.00 C ATOM 668 NH1 ARG A 43 -13.927 1.698 19.933 1.00 0.00 N ATOM 669 NH2 ARG A 43 -12.367 0.307 20.787 1.00 0.00 N ATOM 0 H ARG A 43 -7.372 3.429 14.435 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.329 1.067 15.737 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.871 3.175 17.362 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.224 3.357 16.263 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.562 0.755 16.626 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.548 0.980 18.037 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.088 2.636 18.979 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.017 2.700 17.494 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.395 0.082 18.024 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.310 2.218 19.143 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.382 1.747 20.845 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.529 -0.262 20.666 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.822 0.356 21.698 1.00 0.00 H new ATOM 683 N LYS A 44 -8.878 2.376 13.090 1.00 0.00 N ATOM 684 CA LYS A 44 -9.645 2.384 11.808 1.00 0.00 C ATOM 685 C LYS A 44 -8.669 2.502 10.633 1.00 0.00 C ATOM 686 O LYS A 44 -9.022 2.965 9.564 1.00 0.00 O ATOM 687 CB LYS A 44 -10.608 3.578 11.797 1.00 0.00 C ATOM 688 CG LYS A 44 -11.832 3.246 10.937 1.00 0.00 C ATOM 689 CD LYS A 44 -12.848 4.390 11.020 1.00 0.00 C ATOM 690 CE LYS A 44 -12.318 5.612 10.259 1.00 0.00 C ATOM 691 NZ LYS A 44 -11.547 6.483 11.191 1.00 0.00 N ATOM 0 H LYS A 44 -7.890 2.617 13.006 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.214 1.459 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.920 3.816 12.814 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.104 4.461 11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.529 3.090 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.288 2.317 11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.802 4.073 10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.032 4.651 12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.682 5.292 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.147 6.171 9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.977 7.429 11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.561 6.069 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.564 6.559 10.861 1.00 0.00 H new ATOM 705 N THR A 45 -7.444 2.091 10.827 1.00 0.00 N ATOM 706 CA THR A 45 -6.434 2.180 9.731 1.00 0.00 C ATOM 707 C THR A 45 -5.394 1.071 9.916 1.00 0.00 C ATOM 708 O THR A 45 -4.224 1.251 9.642 1.00 0.00 O ATOM 709 CB THR A 45 -5.743 3.550 9.793 1.00 0.00 C ATOM 710 OG1 THR A 45 -6.715 4.561 10.022 1.00 0.00 O ATOM 711 CG2 THR A 45 -5.017 3.831 8.474 1.00 0.00 C ATOM 0 H THR A 45 -7.098 1.696 11.701 1.00 0.00 H new ATOM 0 HA THR A 45 -6.923 2.063 8.764 1.00 0.00 H new ATOM 0 HB THR A 45 -5.018 3.547 10.607 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.274 5.435 10.063 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.530 4.805 8.527 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.267 3.059 8.300 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.736 3.829 7.655 1.00 0.00 H new ATOM 719 N SER A 46 -5.811 -0.074 10.390 1.00 0.00 N ATOM 720 CA SER A 46 -4.846 -1.190 10.607 1.00 0.00 C ATOM 721 C SER A 46 -4.664 -1.991 9.322 1.00 0.00 C ATOM 722 O SER A 46 -5.214 -3.061 9.146 1.00 0.00 O ATOM 723 CB SER A 46 -5.362 -2.094 11.714 1.00 0.00 C ATOM 724 OG SER A 46 -4.337 -2.998 12.093 1.00 0.00 O ATOM 0 H SER A 46 -6.778 -0.284 10.636 1.00 0.00 H new ATOM 0 HA SER A 46 -3.880 -0.776 10.896 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.673 -1.498 12.572 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.240 -2.643 11.372 1.00 0.00 H new ATOM 0 HG SER A 46 -3.801 -2.602 12.812 1.00 0.00 H new ATOM 730 N TYR A 47 -3.877 -1.468 8.434 1.00 0.00 N ATOM 731 CA TYR A 47 -3.602 -2.155 7.138 1.00 0.00 C ATOM 732 C TYR A 47 -2.210 -1.739 6.663 1.00 0.00 C ATOM 733 O TYR A 47 -1.922 -0.567 6.541 1.00 0.00 O ATOM 734 CB TYR A 47 -4.636 -1.726 6.088 1.00 0.00 C ATOM 735 CG TYR A 47 -6.034 -1.951 6.615 1.00 0.00 C ATOM 736 CD1 TYR A 47 -6.615 -3.225 6.544 1.00 0.00 C ATOM 737 CD2 TYR A 47 -6.752 -0.886 7.174 1.00 0.00 C ATOM 738 CE1 TYR A 47 -7.911 -3.431 7.031 1.00 0.00 C ATOM 739 CE2 TYR A 47 -8.048 -1.093 7.661 1.00 0.00 C ATOM 740 CZ TYR A 47 -8.627 -2.366 7.589 1.00 0.00 C ATOM 741 OH TYR A 47 -9.905 -2.568 8.068 1.00 0.00 O ATOM 0 H TYR A 47 -3.400 -0.574 8.549 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.658 -3.235 7.273 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.498 -0.674 5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.490 -2.293 5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.063 -4.047 6.114 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.305 0.096 7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.359 -4.412 6.976 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.601 -0.271 8.092 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.258 -1.726 8.423 1.00 0.00 H new ATOM 751 N LEU A 48 -1.343 -2.678 6.391 1.00 0.00 N ATOM 752 CA LEU A 48 0.024 -2.308 5.921 1.00 0.00 C ATOM 753 C LEU A 48 0.281 -2.951 4.565 1.00 0.00 C ATOM 754 O LEU A 48 -0.124 -4.067 4.307 1.00 0.00 O ATOM 755 CB LEU A 48 1.076 -2.769 6.955 1.00 0.00 C ATOM 756 CG LEU A 48 2.182 -3.628 6.307 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.424 -3.603 7.198 1.00 0.00 C ATOM 758 CD2 LEU A 48 1.695 -5.076 6.164 1.00 0.00 C ATOM 0 H LEU A 48 -1.520 -3.679 6.473 1.00 0.00 H new ATOM 0 HA LEU A 48 0.098 -1.226 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.525 -1.897 7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.585 -3.342 7.741 1.00 0.00 H new ATOM 0 HG LEU A 48 2.422 -3.227 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.209 -4.208 6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.774 -2.576 7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.176 -4.006 8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.478 -5.680 5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.456 -5.478 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.805 -5.100 5.536 1.00 0.00 H new ATOM 770 N VAL A 49 0.970 -2.256 3.705 1.00 0.00 N ATOM 771 CA VAL A 49 1.286 -2.824 2.368 1.00 0.00 C ATOM 772 C VAL A 49 2.628 -3.534 2.467 1.00 0.00 C ATOM 773 O VAL A 49 3.632 -2.919 2.768 1.00 0.00 O ATOM 774 CB VAL A 49 1.375 -1.710 1.316 1.00 0.00 C ATOM 775 CG1 VAL A 49 0.023 -1.558 0.620 1.00 0.00 C ATOM 776 CG2 VAL A 49 1.759 -0.384 1.984 1.00 0.00 C ATOM 0 H VAL A 49 1.329 -1.316 3.872 1.00 0.00 H new ATOM 0 HA VAL A 49 0.500 -3.517 2.067 1.00 0.00 H new ATOM 0 HB VAL A 49 2.138 -1.972 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.085 -0.767 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.243 -2.496 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.739 -1.302 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.819 0.400 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.004 -0.117 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.727 -0.491 2.475 1.00 0.00 H new ATOM 786 N VAL A 50 2.655 -4.826 2.267 1.00 0.00 N ATOM 787 CA VAL A 50 3.941 -5.571 2.400 1.00 0.00 C ATOM 788 C VAL A 50 5.029 -4.871 1.579 1.00 0.00 C ATOM 789 O VAL A 50 4.755 -4.018 0.756 1.00 0.00 O ATOM 790 CB VAL A 50 3.743 -7.008 1.898 1.00 0.00 C ATOM 791 CG1 VAL A 50 5.074 -7.765 1.930 1.00 0.00 C ATOM 792 CG2 VAL A 50 2.734 -7.726 2.801 1.00 0.00 C ATOM 0 H VAL A 50 1.846 -5.395 2.018 1.00 0.00 H new ATOM 0 HA VAL A 50 4.249 -5.593 3.445 1.00 0.00 H new ATOM 0 HB VAL A 50 3.372 -6.979 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.922 -8.783 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.796 -7.259 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.453 -7.792 2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.591 -8.747 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.111 -7.746 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.782 -7.197 2.775 1.00 0.00 H new ATOM 802 N GLY A 51 6.263 -5.228 1.805 1.00 0.00 N ATOM 803 CA GLY A 51 7.375 -4.582 1.050 1.00 0.00 C ATOM 804 C GLY A 51 8.508 -5.578 0.791 1.00 0.00 C ATOM 805 O GLY A 51 8.609 -6.146 -0.279 1.00 0.00 O ATOM 0 H GLY A 51 6.550 -5.938 2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.001 -4.196 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.756 -3.730 1.613 1.00 0.00 H new ATOM 809 N GLU A 52 9.379 -5.765 1.749 1.00 0.00 N ATOM 810 CA GLU A 52 10.534 -6.693 1.548 1.00 0.00 C ATOM 811 C GLU A 52 10.424 -7.912 2.479 1.00 0.00 C ATOM 812 O GLU A 52 9.374 -8.511 2.614 1.00 0.00 O ATOM 813 CB GLU A 52 11.827 -5.921 1.841 1.00 0.00 C ATOM 814 CG GLU A 52 12.978 -6.506 1.017 1.00 0.00 C ATOM 815 CD GLU A 52 14.246 -5.683 1.258 1.00 0.00 C ATOM 816 OE1 GLU A 52 14.970 -6.003 2.188 1.00 0.00 O ATOM 817 OE2 GLU A 52 14.472 -4.745 0.510 1.00 0.00 O ATOM 0 H GLU A 52 9.341 -5.315 2.663 1.00 0.00 H new ATOM 0 HA GLU A 52 10.535 -7.058 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.694 -4.866 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.063 -5.978 2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.148 -7.546 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.722 -6.498 -0.042 1.00 0.00 H new ATOM 824 N ASN A 53 11.512 -8.277 3.116 1.00 0.00 N ATOM 825 CA ASN A 53 11.501 -9.451 4.042 1.00 0.00 C ATOM 826 C ASN A 53 11.954 -9.008 5.440 1.00 0.00 C ATOM 827 O ASN A 53 11.187 -9.057 6.381 1.00 0.00 O ATOM 828 CB ASN A 53 12.429 -10.546 3.501 1.00 0.00 C ATOM 829 CG ASN A 53 11.593 -11.636 2.826 1.00 0.00 C ATOM 830 OD1 ASN A 53 11.537 -12.755 3.296 1.00 0.00 O ATOM 831 ND2 ASN A 53 10.934 -11.353 1.735 1.00 0.00 N ATOM 0 H ASN A 53 12.413 -7.807 3.032 1.00 0.00 H new ATOM 0 HA ASN A 53 10.490 -9.852 4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 53 13.135 -10.120 2.788 1.00 0.00 H new ATOM 0 HB3 ASN A 53 13.016 -10.974 4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.372 -12.071 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.981 -10.414 1.340 1.00 0.00 H new ATOM 838 N PRO A 54 13.184 -8.563 5.581 1.00 0.00 N ATOM 839 CA PRO A 54 13.714 -8.092 6.893 1.00 0.00 C ATOM 840 C PRO A 54 13.192 -6.692 7.231 1.00 0.00 C ATOM 841 O PRO A 54 13.730 -6.000 8.074 1.00 0.00 O ATOM 842 CB PRO A 54 15.229 -8.059 6.686 1.00 0.00 C ATOM 843 CG PRO A 54 15.431 -7.880 5.217 1.00 0.00 C ATOM 844 CD PRO A 54 14.200 -8.462 4.516 1.00 0.00 C ATOM 0 HA PRO A 54 13.408 -8.735 7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.683 -7.242 7.246 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.692 -8.982 7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.551 -6.825 4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.337 -8.389 4.888 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.863 -7.817 3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.416 -9.437 4.079 1.00 0.00 H new ATOM 852 N GLY A 55 12.150 -6.273 6.561 1.00 0.00 N ATOM 853 CA GLY A 55 11.581 -4.919 6.809 1.00 0.00 C ATOM 854 C GLY A 55 11.039 -4.820 8.234 1.00 0.00 C ATOM 855 O GLY A 55 10.800 -5.816 8.891 1.00 0.00 O ATOM 0 H GLY A 55 11.666 -6.817 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.348 -4.161 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.783 -4.717 6.095 1.00 0.00 H new ATOM 859 N SER A 56 10.832 -3.619 8.709 1.00 0.00 N ATOM 860 CA SER A 56 10.292 -3.437 10.087 1.00 0.00 C ATOM 861 C SER A 56 8.820 -3.857 10.097 1.00 0.00 C ATOM 862 O SER A 56 8.183 -3.913 11.130 1.00 0.00 O ATOM 863 CB SER A 56 10.410 -1.965 10.491 1.00 0.00 C ATOM 864 OG SER A 56 9.966 -1.807 11.832 1.00 0.00 O ATOM 0 H SER A 56 11.015 -2.755 8.199 1.00 0.00 H new ATOM 0 HA SER A 56 10.856 -4.047 10.793 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.444 -1.632 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.813 -1.344 9.823 1.00 0.00 H new ATOM 0 HG SER A 56 9.351 -2.535 12.061 1.00 0.00 H new ATOM 870 N LYS A 57 8.286 -4.155 8.940 1.00 0.00 N ATOM 871 CA LYS A 57 6.860 -4.578 8.845 1.00 0.00 C ATOM 872 C LYS A 57 6.627 -5.819 9.708 1.00 0.00 C ATOM 873 O LYS A 57 5.509 -6.127 10.065 1.00 0.00 O ATOM 874 CB LYS A 57 6.533 -4.905 7.387 1.00 0.00 C ATOM 875 CG LYS A 57 7.344 -6.121 6.929 1.00 0.00 C ATOM 876 CD LYS A 57 7.088 -6.372 5.441 1.00 0.00 C ATOM 877 CE LYS A 57 7.661 -7.732 5.047 1.00 0.00 C ATOM 878 NZ LYS A 57 9.127 -7.748 5.314 1.00 0.00 N ATOM 0 H LYS A 57 8.783 -4.122 8.050 1.00 0.00 H new ATOM 0 HA LYS A 57 6.218 -3.772 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.467 -5.107 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.759 -4.047 6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.406 -5.950 7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.063 -6.999 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.018 -6.343 5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.549 -5.585 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.169 -8.524 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.470 -7.927 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.495 -8.711 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.606 -7.097 4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.305 -7.447 6.294 1.00 0.00 H new ATOM 892 N LEU A 58 7.673 -6.533 10.040 1.00 0.00 N ATOM 893 CA LEU A 58 7.521 -7.760 10.878 1.00 0.00 C ATOM 894 C LEU A 58 6.599 -7.471 12.068 1.00 0.00 C ATOM 895 O LEU A 58 5.980 -8.361 12.611 1.00 0.00 O ATOM 896 CB LEU A 58 8.900 -8.194 11.392 1.00 0.00 C ATOM 897 CG LEU A 58 8.947 -9.720 11.543 1.00 0.00 C ATOM 898 CD1 LEU A 58 10.401 -10.196 11.467 1.00 0.00 C ATOM 899 CD2 LEU A 58 8.348 -10.126 12.895 1.00 0.00 C ATOM 0 H LEU A 58 8.631 -6.317 9.765 1.00 0.00 H new ATOM 0 HA LEU A 58 7.084 -8.556 10.275 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.675 -7.865 10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.106 -7.719 12.351 1.00 0.00 H new ATOM 0 HG LEU A 58 8.369 -10.179 10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.435 -11.280 11.574 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.827 -9.913 10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.977 -9.734 12.268 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.384 -11.211 12.998 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.922 -9.666 13.700 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.312 -9.790 12.950 1.00 0.00 H new ATOM 911 N GLU A 59 6.499 -6.232 12.474 1.00 0.00 N ATOM 912 CA GLU A 59 5.614 -5.894 13.626 1.00 0.00 C ATOM 913 C GLU A 59 4.151 -5.874 13.176 1.00 0.00 C ATOM 914 O GLU A 59 3.348 -6.659 13.641 1.00 0.00 O ATOM 915 CB GLU A 59 6.006 -4.522 14.186 1.00 0.00 C ATOM 916 CG GLU A 59 5.239 -4.253 15.486 1.00 0.00 C ATOM 917 CD GLU A 59 5.784 -5.152 16.601 1.00 0.00 C ATOM 918 OE1 GLU A 59 6.807 -4.804 17.169 1.00 0.00 O ATOM 919 OE2 GLU A 59 5.168 -6.173 16.866 1.00 0.00 O ATOM 0 H GLU A 59 6.991 -5.441 12.058 1.00 0.00 H new ATOM 0 HA GLU A 59 5.732 -6.649 14.403 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.079 -4.488 14.373 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.785 -3.744 13.455 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.339 -3.205 15.769 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.176 -4.443 15.339 1.00 0.00 H new ATOM 926 N LYS A 60 3.789 -4.984 12.286 1.00 0.00 N ATOM 927 CA LYS A 60 2.368 -4.935 11.836 1.00 0.00 C ATOM 928 C LYS A 60 2.092 -6.071 10.852 1.00 0.00 C ATOM 929 O LYS A 60 1.029 -6.659 10.861 1.00 0.00 O ATOM 930 CB LYS A 60 2.076 -3.596 11.155 1.00 0.00 C ATOM 931 CG LYS A 60 0.588 -3.532 10.792 1.00 0.00 C ATOM 932 CD LYS A 60 0.225 -2.119 10.327 1.00 0.00 C ATOM 933 CE LYS A 60 -1.281 -2.038 10.053 1.00 0.00 C ATOM 934 NZ LYS A 60 -1.734 -3.279 9.360 1.00 0.00 N ATOM 0 H LYS A 60 4.409 -4.297 11.857 1.00 0.00 H new ATOM 0 HA LYS A 60 1.724 -5.044 12.708 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.337 -2.772 11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.687 -3.489 10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.366 -4.252 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.018 -3.807 11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.506 -1.391 11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.783 -1.868 9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.825 -1.914 10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.502 -1.165 9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.732 -3.179 9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.155 -3.433 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.632 -4.092 10.001 1.00 0.00 H new ATOM 948 N ALA A 61 3.038 -6.386 10.005 1.00 0.00 N ATOM 949 CA ALA A 61 2.821 -7.485 9.022 1.00 0.00 C ATOM 950 C ALA A 61 2.616 -8.804 9.767 1.00 0.00 C ATOM 951 O ALA A 61 1.749 -9.582 9.421 1.00 0.00 O ATOM 952 CB ALA A 61 4.019 -7.596 8.084 1.00 0.00 C ATOM 0 H ALA A 61 3.949 -5.930 9.953 1.00 0.00 H new ATOM 0 HA ALA A 61 1.933 -7.264 8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.849 -8.402 7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.148 -6.657 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.917 -7.808 8.664 1.00 0.00 H new ATOM 958 N ARG A 62 3.380 -9.063 10.803 1.00 0.00 N ATOM 959 CA ARG A 62 3.171 -10.329 11.561 1.00 0.00 C ATOM 960 C ARG A 62 1.792 -10.249 12.205 1.00 0.00 C ATOM 961 O ARG A 62 1.070 -11.225 12.281 1.00 0.00 O ATOM 962 CB ARG A 62 4.243 -10.480 12.645 1.00 0.00 C ATOM 963 CG ARG A 62 4.018 -11.778 13.432 1.00 0.00 C ATOM 964 CD ARG A 62 4.216 -12.987 12.511 1.00 0.00 C ATOM 965 NE ARG A 62 2.901 -13.401 11.942 1.00 0.00 N ATOM 966 CZ ARG A 62 2.436 -14.599 12.171 1.00 0.00 C ATOM 967 NH1 ARG A 62 3.141 -15.648 11.847 1.00 0.00 N ATOM 968 NH2 ARG A 62 1.263 -14.747 12.722 1.00 0.00 N ATOM 0 H ARG A 62 4.127 -8.460 11.149 1.00 0.00 H new ATOM 0 HA ARG A 62 3.240 -11.189 10.895 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.233 -10.489 12.189 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.211 -9.625 13.321 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.713 -11.831 14.270 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.012 -11.790 13.851 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.909 -12.736 11.708 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.659 -13.813 13.068 1.00 0.00 H new ATOM 0 HE ARG A 62 2.364 -12.747 11.373 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.057 -15.533 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.776 -16.583 12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.710 -13.927 12.973 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.898 -15.682 12.902 1.00 0.00 H new ATOM 982 N ALA A 63 1.416 -9.067 12.631 1.00 0.00 N ATOM 983 CA ALA A 63 0.071 -8.849 13.240 1.00 0.00 C ATOM 984 C ALA A 63 -0.127 -9.701 14.498 1.00 0.00 C ATOM 985 O ALA A 63 0.394 -10.791 14.630 1.00 0.00 O ATOM 986 CB ALA A 63 -1.019 -9.190 12.217 1.00 0.00 C ATOM 0 H ALA A 63 1.997 -8.231 12.580 1.00 0.00 H new ATOM 0 HA ALA A 63 0.002 -7.800 13.528 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.000 -9.030 12.664 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.910 -8.549 11.342 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.923 -10.233 11.917 1.00 0.00 H new ATOM 992 N LEU A 64 -0.922 -9.201 15.401 1.00 0.00 N ATOM 993 CA LEU A 64 -1.238 -9.941 16.654 1.00 0.00 C ATOM 994 C LEU A 64 -2.762 -10.029 16.752 1.00 0.00 C ATOM 995 O LEU A 64 -3.325 -10.274 17.801 1.00 0.00 O ATOM 996 CB LEU A 64 -0.678 -9.180 17.863 1.00 0.00 C ATOM 997 CG LEU A 64 -1.064 -7.698 17.771 1.00 0.00 C ATOM 998 CD1 LEU A 64 -1.467 -7.184 19.156 1.00 0.00 C ATOM 999 CD2 LEU A 64 0.131 -6.888 17.255 1.00 0.00 C ATOM 0 H LEU A 64 -1.376 -8.291 15.321 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.792 -10.936 16.643 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.067 -9.610 18.786 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.407 -9.281 17.897 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.903 -7.587 17.085 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.741 -6.131 19.088 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.318 -7.757 19.523 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.629 -7.297 19.844 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.144 -5.835 17.190 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.971 -7.002 17.940 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.417 -7.250 16.267 1.00 0.00 H new ATOM 1011 N GLY A 65 -3.422 -9.807 15.644 1.00 0.00 N ATOM 1012 CA GLY A 65 -4.908 -9.838 15.604 1.00 0.00 C ATOM 1013 C GLY A 65 -5.361 -8.843 14.533 1.00 0.00 C ATOM 1014 O GLY A 65 -6.481 -8.879 14.061 1.00 0.00 O ATOM 0 H GLY A 65 -2.980 -9.601 14.748 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.264 -10.841 15.370 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.323 -9.571 16.576 1.00 0.00 H new ATOM 1018 N VAL A 66 -4.478 -7.948 14.155 1.00 0.00 N ATOM 1019 CA VAL A 66 -4.815 -6.925 13.121 1.00 0.00 C ATOM 1020 C VAL A 66 -4.593 -7.503 11.715 1.00 0.00 C ATOM 1021 O VAL A 66 -3.902 -8.487 11.544 1.00 0.00 O ATOM 1022 CB VAL A 66 -3.924 -5.693 13.311 1.00 0.00 C ATOM 1023 CG1 VAL A 66 -4.490 -4.818 14.434 1.00 0.00 C ATOM 1024 CG2 VAL A 66 -2.499 -6.130 13.675 1.00 0.00 C ATOM 0 H VAL A 66 -3.529 -7.885 14.525 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.862 -6.642 13.230 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.900 -5.124 12.381 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.855 -3.942 14.568 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.499 -4.498 14.173 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.519 -5.390 15.361 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.871 -5.249 13.809 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.520 -6.704 14.601 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.092 -6.747 12.874 1.00 0.00 H new ATOM 1034 N PRO A 67 -5.187 -6.892 10.714 1.00 0.00 N ATOM 1035 CA PRO A 67 -5.076 -7.335 9.299 1.00 0.00 C ATOM 1036 C PRO A 67 -3.931 -6.650 8.531 1.00 0.00 C ATOM 1037 O PRO A 67 -3.637 -5.488 8.732 1.00 0.00 O ATOM 1038 CB PRO A 67 -6.425 -6.922 8.708 1.00 0.00 C ATOM 1039 CG PRO A 67 -6.925 -5.783 9.554 1.00 0.00 C ATOM 1040 CD PRO A 67 -6.048 -5.709 10.814 1.00 0.00 C ATOM 0 HA PRO A 67 -4.852 -8.400 9.229 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.316 -6.615 7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.128 -7.755 8.723 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.876 -4.846 9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.969 -5.939 9.825 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.463 -4.790 10.840 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.651 -5.729 11.722 1.00 0.00 H new ATOM 1048 N THR A 68 -3.304 -7.378 7.640 1.00 0.00 N ATOM 1049 CA THR A 68 -2.186 -6.815 6.818 1.00 0.00 C ATOM 1050 C THR A 68 -2.506 -7.076 5.340 1.00 0.00 C ATOM 1051 O THR A 68 -2.892 -8.171 4.976 1.00 0.00 O ATOM 1052 CB THR A 68 -0.879 -7.522 7.191 1.00 0.00 C ATOM 1053 OG1 THR A 68 -1.019 -8.922 6.976 1.00 0.00 O ATOM 1054 CG2 THR A 68 -0.561 -7.257 8.663 1.00 0.00 C ATOM 0 H THR A 68 -3.523 -8.355 7.444 1.00 0.00 H new ATOM 0 HA THR A 68 -2.078 -5.746 6.999 1.00 0.00 H new ATOM 0 HB THR A 68 -0.067 -7.141 6.571 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.760 -9.085 6.356 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.369 -7.759 8.931 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.454 -6.184 8.825 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.371 -7.638 9.285 1.00 0.00 H new ATOM 1062 N LEU A 69 -2.381 -6.089 4.485 1.00 0.00 N ATOM 1063 CA LEU A 69 -2.714 -6.307 3.041 1.00 0.00 C ATOM 1064 C LEU A 69 -1.446 -6.290 2.179 1.00 0.00 C ATOM 1065 O LEU A 69 -0.628 -5.396 2.267 1.00 0.00 O ATOM 1066 CB LEU A 69 -3.659 -5.195 2.570 1.00 0.00 C ATOM 1067 CG LEU A 69 -5.053 -5.776 2.310 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -5.752 -6.057 3.643 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -5.882 -4.774 1.502 1.00 0.00 C ATOM 0 H LEU A 69 -2.065 -5.148 4.722 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.192 -7.281 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.717 -4.410 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.271 -4.736 1.661 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.956 -6.706 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.743 -6.470 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.164 -6.772 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.847 -5.129 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.873 -5.187 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.975 -3.844 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.388 -4.577 0.551 1.00 0.00 H new ATOM 1081 N THR A 70 -1.282 -7.283 1.346 1.00 0.00 N ATOM 1082 CA THR A 70 -0.077 -7.344 0.470 1.00 0.00 C ATOM 1083 C THR A 70 -0.138 -6.233 -0.585 1.00 0.00 C ATOM 1084 O THR A 70 -1.186 -5.928 -1.119 1.00 0.00 O ATOM 1085 CB THR A 70 -0.039 -8.697 -0.240 1.00 0.00 C ATOM 1086 OG1 THR A 70 -0.425 -9.719 0.670 1.00 0.00 O ATOM 1087 CG2 THR A 70 1.376 -8.976 -0.753 1.00 0.00 C ATOM 0 H THR A 70 -1.935 -8.059 1.235 1.00 0.00 H new ATOM 0 HA THR A 70 0.815 -7.214 1.083 1.00 0.00 H new ATOM 0 HB THR A 70 -0.728 -8.680 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.403 -10.587 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.396 -9.942 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.670 -8.194 -1.453 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.071 -8.991 0.087 1.00 0.00 H new ATOM 1095 N GLU A 71 0.985 -5.639 -0.891 1.00 0.00 N ATOM 1096 CA GLU A 71 1.011 -4.555 -1.917 1.00 0.00 C ATOM 1097 C GLU A 71 0.716 -5.153 -3.299 1.00 0.00 C ATOM 1098 O GLU A 71 0.336 -4.454 -4.218 1.00 0.00 O ATOM 1099 CB GLU A 71 2.392 -3.892 -1.925 1.00 0.00 C ATOM 1100 CG GLU A 71 2.276 -2.477 -2.500 1.00 0.00 C ATOM 1101 CD GLU A 71 3.582 -1.714 -2.257 1.00 0.00 C ATOM 1102 OE1 GLU A 71 3.828 -1.345 -1.120 1.00 0.00 O ATOM 1103 OE2 GLU A 71 4.312 -1.510 -3.213 1.00 0.00 O ATOM 0 H GLU A 71 1.889 -5.859 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 71 0.254 -3.808 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.794 -3.853 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.087 -4.483 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.064 -2.524 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.444 -1.951 -2.033 1.00 0.00 H new ATOM 1110 N GLU A 72 0.897 -6.441 -3.449 1.00 0.00 N ATOM 1111 CA GLU A 72 0.634 -7.098 -4.766 1.00 0.00 C ATOM 1112 C GLU A 72 -0.723 -6.640 -5.310 1.00 0.00 C ATOM 1113 O GLU A 72 -0.829 -6.190 -6.435 1.00 0.00 O ATOM 1114 CB GLU A 72 0.622 -8.619 -4.582 1.00 0.00 C ATOM 1115 CG GLU A 72 2.055 -9.128 -4.397 1.00 0.00 C ATOM 1116 CD GLU A 72 2.675 -9.425 -5.766 1.00 0.00 C ATOM 1117 OE1 GLU A 72 2.469 -10.524 -6.262 1.00 0.00 O ATOM 1118 OE2 GLU A 72 3.344 -8.551 -6.296 1.00 0.00 O ATOM 0 H GLU A 72 1.217 -7.069 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 72 1.417 -6.820 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.017 -8.885 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.165 -9.096 -5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.651 -8.383 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.055 -10.029 -3.783 1.00 0.00 H new ATOM 1125 N GLU A 73 -1.759 -6.749 -4.517 1.00 0.00 N ATOM 1126 CA GLU A 73 -3.114 -6.319 -4.976 1.00 0.00 C ATOM 1127 C GLU A 73 -3.059 -4.858 -5.435 1.00 0.00 C ATOM 1128 O GLU A 73 -3.622 -4.494 -6.451 1.00 0.00 O ATOM 1129 CB GLU A 73 -4.106 -6.455 -3.816 1.00 0.00 C ATOM 1130 CG GLU A 73 -5.539 -6.417 -4.354 1.00 0.00 C ATOM 1131 CD GLU A 73 -6.523 -6.357 -3.182 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -6.741 -5.268 -2.671 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -7.040 -7.400 -2.813 1.00 0.00 O ATOM 0 H GLU A 73 -1.724 -7.119 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.435 -6.946 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.932 -7.390 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.955 -5.648 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.673 -5.550 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.734 -7.301 -4.962 1.00 0.00 H new ATOM 1140 N LEU A 74 -2.380 -4.024 -4.693 1.00 0.00 N ATOM 1141 CA LEU A 74 -2.274 -2.586 -5.074 1.00 0.00 C ATOM 1142 C LEU A 74 -1.672 -2.477 -6.479 1.00 0.00 C ATOM 1143 O LEU A 74 -2.142 -1.719 -7.305 1.00 0.00 O ATOM 1144 CB LEU A 74 -1.380 -1.857 -4.059 1.00 0.00 C ATOM 1145 CG LEU A 74 -0.756 -0.608 -4.699 1.00 0.00 C ATOM 1146 CD1 LEU A 74 -0.757 0.537 -3.687 1.00 0.00 C ATOM 1147 CD2 LEU A 74 0.687 -0.907 -5.124 1.00 0.00 C ATOM 0 H LEU A 74 -1.892 -4.279 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.263 -2.128 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.967 -1.572 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.594 -2.526 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.339 -0.325 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.314 1.424 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.782 0.756 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.176 0.249 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.125 -0.018 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.272 -1.194 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.692 -1.722 -5.847 1.00 0.00 H new ATOM 1159 N TYR A 75 -0.640 -3.231 -6.755 1.00 0.00 N ATOM 1160 CA TYR A 75 -0.009 -3.173 -8.105 1.00 0.00 C ATOM 1161 C TYR A 75 -1.035 -3.575 -9.167 1.00 0.00 C ATOM 1162 O TYR A 75 -0.991 -3.111 -10.288 1.00 0.00 O ATOM 1163 CB TYR A 75 1.188 -4.128 -8.155 1.00 0.00 C ATOM 1164 CG TYR A 75 2.466 -3.350 -7.939 1.00 0.00 C ATOM 1165 CD1 TYR A 75 3.036 -2.632 -9.000 1.00 0.00 C ATOM 1166 CD2 TYR A 75 3.082 -3.347 -6.682 1.00 0.00 C ATOM 1167 CE1 TYR A 75 4.220 -1.911 -8.801 1.00 0.00 C ATOM 1168 CE2 TYR A 75 4.266 -2.627 -6.484 1.00 0.00 C ATOM 1169 CZ TYR A 75 4.834 -1.910 -7.544 1.00 0.00 C ATOM 1170 OH TYR A 75 6.001 -1.199 -7.348 1.00 0.00 O ATOM 0 H TYR A 75 -0.207 -3.885 -6.103 1.00 0.00 H new ATOM 0 HA TYR A 75 0.334 -2.157 -8.301 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.085 -4.897 -7.390 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.219 -4.638 -9.118 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.562 -2.635 -9.970 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.644 -3.900 -5.865 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.659 -1.356 -9.617 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.741 -2.625 -5.514 1.00 0.00 H new ATOM 0 HH TYR A 75 6.295 -1.303 -6.419 1.00 0.00 H new ATOM 1180 N ARG A 76 -1.964 -4.427 -8.820 1.00 0.00 N ATOM 1181 CA ARG A 76 -2.997 -4.849 -9.809 1.00 0.00 C ATOM 1182 C ARG A 76 -3.859 -3.639 -10.180 1.00 0.00 C ATOM 1183 O ARG A 76 -3.743 -3.096 -11.262 1.00 0.00 O ATOM 1184 CB ARG A 76 -3.884 -5.945 -9.206 1.00 0.00 C ATOM 1185 CG ARG A 76 -3.054 -7.208 -8.961 1.00 0.00 C ATOM 1186 CD ARG A 76 -3.980 -8.357 -8.553 1.00 0.00 C ATOM 1187 NE ARG A 76 -3.220 -9.639 -8.571 1.00 0.00 N ATOM 1188 CZ ARG A 76 -3.556 -10.609 -7.765 1.00 0.00 C ATOM 1189 NH1 ARG A 76 -4.682 -11.244 -7.941 1.00 0.00 N ATOM 1190 NH2 ARG A 76 -2.765 -10.943 -6.781 1.00 0.00 N ATOM 0 H ARG A 76 -2.051 -4.848 -7.895 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.506 -5.241 -10.700 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.320 -5.598 -8.269 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.711 -6.168 -9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.503 -7.474 -9.863 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.317 -7.026 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.385 -8.176 -7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.828 -8.415 -9.236 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.437 -9.758 -9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.300 -10.982 -8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.944 -12.002 -7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.885 -10.446 -6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.027 -11.701 -6.151 1.00 0.00 H new ATOM 1204 N LEU A 77 -4.733 -3.226 -9.295 1.00 0.00 N ATOM 1205 CA LEU A 77 -5.618 -2.058 -9.601 1.00 0.00 C ATOM 1206 C LEU A 77 -4.773 -0.874 -10.088 1.00 0.00 C ATOM 1207 O LEU A 77 -5.196 -0.113 -10.933 1.00 0.00 O ATOM 1208 CB LEU A 77 -6.406 -1.638 -8.349 1.00 0.00 C ATOM 1209 CG LEU A 77 -7.340 -2.769 -7.883 1.00 0.00 C ATOM 1210 CD1 LEU A 77 -8.077 -3.376 -9.082 1.00 0.00 C ATOM 1211 CD2 LEU A 77 -6.530 -3.859 -7.173 1.00 0.00 C ATOM 0 H LEU A 77 -4.872 -3.646 -8.376 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.319 -2.353 -10.382 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.713 -1.380 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.991 -0.744 -8.565 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.071 -2.353 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.734 -4.175 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.670 -2.604 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.352 -3.781 -9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.199 -4.655 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.788 -4.267 -7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.025 -3.431 -6.307 1.00 0.00 H new ATOM 1223 N LEU A 78 -3.582 -0.715 -9.567 1.00 0.00 N ATOM 1224 CA LEU A 78 -2.714 0.420 -10.008 1.00 0.00 C ATOM 1225 C LEU A 78 -2.311 0.213 -11.471 1.00 0.00 C ATOM 1226 O LEU A 78 -2.698 0.970 -12.340 1.00 0.00 O ATOM 1227 CB LEU A 78 -1.459 0.477 -9.127 1.00 0.00 C ATOM 1228 CG LEU A 78 -0.647 1.735 -9.459 1.00 0.00 C ATOM 1229 CD1 LEU A 78 -0.262 2.455 -8.162 1.00 0.00 C ATOM 1230 CD2 LEU A 78 0.625 1.340 -10.217 1.00 0.00 C ATOM 0 H LEU A 78 -3.173 -1.322 -8.856 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.262 1.358 -9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.743 0.483 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.850 -0.413 -9.288 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.249 2.399 -10.079 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.315 3.349 -8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.165 2.739 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.338 1.790 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.201 2.235 -10.452 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.226 0.674 -9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.354 0.830 -11.141 1.00 0.00 H new ATOM 1242 N GLU A 79 -1.521 -0.795 -11.739 1.00 0.00 N ATOM 1243 CA GLU A 79 -1.068 -1.051 -13.141 1.00 0.00 C ATOM 1244 C GLU A 79 -2.269 -0.989 -14.092 1.00 0.00 C ATOM 1245 O GLU A 79 -2.130 -0.654 -15.252 1.00 0.00 O ATOM 1246 CB GLU A 79 -0.416 -2.434 -13.226 1.00 0.00 C ATOM 1247 CG GLU A 79 0.950 -2.400 -12.530 1.00 0.00 C ATOM 1248 CD GLU A 79 1.512 -3.821 -12.430 1.00 0.00 C ATOM 1249 OE1 GLU A 79 1.012 -4.580 -11.614 1.00 0.00 O ATOM 1250 OE2 GLU A 79 2.433 -4.127 -13.170 1.00 0.00 O ATOM 0 H GLU A 79 -1.169 -1.454 -11.045 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.342 -0.291 -13.429 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.057 -3.179 -12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.297 -2.728 -14.269 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.638 -1.765 -13.088 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.852 -1.966 -11.535 1.00 0.00 H new ATOM 1257 N ALA A 80 -3.448 -1.286 -13.606 1.00 0.00 N ATOM 1258 CA ALA A 80 -4.655 -1.218 -14.481 1.00 0.00 C ATOM 1259 C ALA A 80 -5.161 0.230 -14.503 1.00 0.00 C ATOM 1260 O ALA A 80 -5.147 0.882 -15.529 1.00 0.00 O ATOM 1261 CB ALA A 80 -5.745 -2.135 -13.922 1.00 0.00 C ATOM 0 H ALA A 80 -3.625 -1.572 -12.643 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.403 -1.540 -15.491 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.626 -2.085 -14.562 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.377 -3.161 -13.891 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.009 -1.814 -12.914 1.00 0.00 H new ATOM 1267 N ARG A 81 -5.610 0.725 -13.374 1.00 0.00 N ATOM 1268 CA ARG A 81 -6.124 2.131 -13.306 1.00 0.00 C ATOM 1269 C ARG A 81 -5.189 3.056 -14.087 1.00 0.00 C ATOM 1270 O ARG A 81 -5.615 3.792 -14.955 1.00 0.00 O ATOM 1271 CB ARG A 81 -6.183 2.593 -11.846 1.00 0.00 C ATOM 1272 CG ARG A 81 -7.500 2.136 -11.210 1.00 0.00 C ATOM 1273 CD ARG A 81 -8.559 3.232 -11.373 1.00 0.00 C ATOM 1274 NE ARG A 81 -8.998 3.298 -12.796 1.00 0.00 N ATOM 1275 CZ ARG A 81 -9.961 2.525 -13.222 1.00 0.00 C ATOM 1276 NH1 ARG A 81 -11.204 2.835 -12.973 1.00 0.00 N ATOM 1277 NH2 ARG A 81 -9.681 1.445 -13.896 1.00 0.00 N ATOM 0 H ARG A 81 -5.643 0.213 -12.492 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.124 2.166 -13.739 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.339 2.183 -11.291 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.101 3.679 -11.795 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.842 1.214 -11.680 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.348 1.918 -10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.413 3.025 -10.728 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.151 4.194 -11.063 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.545 3.948 -13.439 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.423 3.680 -12.446 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.956 2.232 -13.305 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.709 1.203 -14.091 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.433 0.842 -14.228 1.00 0.00 H new ATOM 1291 N THR A 82 -3.917 3.008 -13.796 1.00 0.00 N ATOM 1292 CA THR A 82 -2.948 3.868 -14.532 1.00 0.00 C ATOM 1293 C THR A 82 -2.881 3.387 -15.980 1.00 0.00 C ATOM 1294 O THR A 82 -3.006 4.158 -16.911 1.00 0.00 O ATOM 1295 CB THR A 82 -1.564 3.754 -13.883 1.00 0.00 C ATOM 1296 OG1 THR A 82 -1.699 3.829 -12.471 1.00 0.00 O ATOM 1297 CG2 THR A 82 -0.668 4.893 -14.374 1.00 0.00 C ATOM 0 H THR A 82 -3.507 2.409 -13.079 1.00 0.00 H new ATOM 0 HA THR A 82 -3.267 4.910 -14.499 1.00 0.00 H new ATOM 0 HB THR A 82 -1.113 2.800 -14.156 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.879 2.935 -12.112 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.315 4.808 -13.910 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.565 4.833 -15.457 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.115 5.850 -14.104 1.00 0.00 H new ATOM 1305 N GLY A 83 -2.685 2.110 -16.167 1.00 0.00 N ATOM 1306 CA GLY A 83 -2.609 1.552 -17.546 1.00 0.00 C ATOM 1307 C GLY A 83 -1.192 1.727 -18.086 1.00 0.00 C ATOM 1308 O GLY A 83 -0.963 1.669 -19.279 1.00 0.00 O ATOM 0 H GLY A 83 -2.574 1.426 -15.419 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.879 0.496 -17.538 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.323 2.059 -18.195 1.00 0.00 H new ATOM 1312 N LYS A 84 -0.236 1.932 -17.217 1.00 0.00 N ATOM 1313 CA LYS A 84 1.173 2.101 -17.668 1.00 0.00 C ATOM 1314 C LYS A 84 2.096 1.466 -16.623 1.00 0.00 C ATOM 1315 O LYS A 84 1.820 1.500 -15.439 1.00 0.00 O ATOM 1316 CB LYS A 84 1.497 3.593 -17.805 1.00 0.00 C ATOM 1317 CG LYS A 84 2.972 3.769 -18.180 1.00 0.00 C ATOM 1318 CD LYS A 84 3.233 5.219 -18.600 1.00 0.00 C ATOM 1319 CE LYS A 84 3.024 5.366 -20.110 1.00 0.00 C ATOM 1320 NZ LYS A 84 3.229 6.788 -20.504 1.00 0.00 N ATOM 0 H LYS A 84 -0.374 1.990 -16.208 1.00 0.00 H new ATOM 0 HA LYS A 84 1.316 1.620 -18.636 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.862 4.044 -18.567 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.286 4.108 -16.868 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.606 3.507 -17.333 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.233 3.093 -18.994 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.562 5.889 -18.063 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.250 5.507 -18.334 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.721 4.724 -20.649 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.019 5.043 -20.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.087 6.888 -21.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.547 7.390 -20.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.196 7.080 -20.258 1.00 0.00 H new ATOM 1334 N LYS A 85 3.183 0.884 -17.052 1.00 0.00 N ATOM 1335 CA LYS A 85 4.122 0.239 -16.086 1.00 0.00 C ATOM 1336 C LYS A 85 4.686 1.292 -15.132 1.00 0.00 C ATOM 1337 O LYS A 85 5.411 2.180 -15.535 1.00 0.00 O ATOM 1338 CB LYS A 85 5.268 -0.423 -16.855 1.00 0.00 C ATOM 1339 CG LYS A 85 4.750 -1.673 -17.573 1.00 0.00 C ATOM 1340 CD LYS A 85 5.696 -2.039 -18.722 1.00 0.00 C ATOM 1341 CE LYS A 85 5.267 -1.307 -19.997 1.00 0.00 C ATOM 1342 NZ LYS A 85 6.186 -1.672 -21.111 1.00 0.00 N ATOM 0 H LYS A 85 3.463 0.827 -18.031 1.00 0.00 H new ATOM 0 HA LYS A 85 3.586 -0.515 -15.510 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.686 0.277 -17.578 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.072 -0.692 -16.170 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.677 -2.503 -16.871 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.747 -1.493 -17.959 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.720 -1.769 -18.463 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.683 -3.116 -18.888 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.242 -1.573 -20.255 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.285 -0.229 -19.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.896 -1.175 -21.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.158 -1.397 -20.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.147 -2.699 -21.271 1.00 0.00 H new ATOM 1356 N ALA A 86 4.357 1.199 -13.866 1.00 0.00 N ATOM 1357 CA ALA A 86 4.873 2.189 -12.873 1.00 0.00 C ATOM 1358 C ALA A 86 6.401 2.258 -12.970 1.00 0.00 C ATOM 1359 O ALA A 86 7.009 3.256 -12.634 1.00 0.00 O ATOM 1360 CB ALA A 86 4.471 1.747 -11.463 1.00 0.00 C ATOM 0 H ALA A 86 3.751 0.476 -13.478 1.00 0.00 H new ATOM 0 HA ALA A 86 4.451 3.172 -13.082 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.846 2.467 -10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.384 1.694 -11.394 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.896 0.765 -11.254 1.00 0.00 H new ATOM 1366 N GLU A 87 7.020 1.200 -13.429 1.00 0.00 N ATOM 1367 CA GLU A 87 8.507 1.187 -13.555 1.00 0.00 C ATOM 1368 C GLU A 87 8.941 2.167 -14.648 1.00 0.00 C ATOM 1369 O GLU A 87 10.087 2.562 -14.708 1.00 0.00 O ATOM 1370 CB GLU A 87 8.991 -0.222 -13.912 1.00 0.00 C ATOM 1371 CG GLU A 87 8.224 -1.266 -13.088 1.00 0.00 C ATOM 1372 CD GLU A 87 8.220 -0.863 -11.611 1.00 0.00 C ATOM 1373 OE1 GLU A 87 9.289 -0.837 -11.020 1.00 0.00 O ATOM 1374 OE2 GLU A 87 7.150 -0.585 -11.094 1.00 0.00 O ATOM 0 H GLU A 87 6.556 0.341 -13.723 1.00 0.00 H new ATOM 0 HA GLU A 87 8.945 1.486 -12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.844 -0.407 -14.976 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.060 -0.308 -13.718 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.201 -1.350 -13.454 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.686 -2.246 -13.205 1.00 0.00 H new ATOM 1381 N GLU A 88 8.037 2.556 -15.516 1.00 0.00 N ATOM 1382 CA GLU A 88 8.400 3.518 -16.609 1.00 0.00 C ATOM 1383 C GLU A 88 9.296 4.626 -16.041 1.00 0.00 C ATOM 1384 O GLU A 88 10.106 5.203 -16.741 1.00 0.00 O ATOM 1385 CB GLU A 88 7.126 4.140 -17.186 1.00 0.00 C ATOM 1386 CG GLU A 88 6.569 3.242 -18.296 1.00 0.00 C ATOM 1387 CD GLU A 88 7.005 3.784 -19.661 1.00 0.00 C ATOM 1388 OE1 GLU A 88 6.291 4.617 -20.201 1.00 0.00 O ATOM 1389 OE2 GLU A 88 8.044 3.359 -20.141 1.00 0.00 O ATOM 0 H GLU A 88 7.064 2.250 -15.516 1.00 0.00 H new ATOM 0 HA GLU A 88 8.935 2.986 -17.396 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.382 4.265 -16.399 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.341 5.132 -17.582 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.929 2.221 -18.167 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.481 3.207 -18.238 1.00 0.00 H new ATOM 1396 N LEU A 89 9.160 4.909 -14.772 1.00 0.00 N ATOM 1397 CA LEU A 89 10.002 5.960 -14.134 1.00 0.00 C ATOM 1398 C LEU A 89 11.282 5.309 -13.596 1.00 0.00 C ATOM 1399 O LEU A 89 12.365 5.537 -14.100 1.00 0.00 O ATOM 1400 CB LEU A 89 9.232 6.616 -12.977 1.00 0.00 C ATOM 1401 CG LEU A 89 7.730 6.641 -13.289 1.00 0.00 C ATOM 1402 CD1 LEU A 89 6.969 7.228 -12.097 1.00 0.00 C ATOM 1403 CD2 LEU A 89 7.472 7.504 -14.531 1.00 0.00 C ATOM 0 H LEU A 89 8.496 4.453 -14.147 1.00 0.00 H new ATOM 0 HA LEU A 89 10.254 6.725 -14.869 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.410 6.065 -12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.595 7.631 -12.818 1.00 0.00 H new ATOM 0 HG LEU A 89 7.387 5.624 -13.478 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.902 7.245 -12.319 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.146 6.614 -11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.317 8.244 -11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.404 7.519 -14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.819 8.521 -14.346 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.010 7.087 -15.382 1.00 0.00 H new ATOM 1415 N VAL A 90 11.162 4.502 -12.572 1.00 0.00 N ATOM 1416 CA VAL A 90 12.362 3.832 -11.985 1.00 0.00 C ATOM 1417 C VAL A 90 12.867 2.739 -12.933 1.00 0.00 C ATOM 1418 O VAL A 90 12.101 1.950 -13.449 1.00 0.00 O ATOM 1419 CB VAL A 90 11.982 3.211 -10.637 1.00 0.00 C ATOM 1420 CG1 VAL A 90 13.140 2.355 -10.112 1.00 0.00 C ATOM 1421 CG2 VAL A 90 11.676 4.323 -9.631 1.00 0.00 C ATOM 0 H VAL A 90 10.278 4.277 -12.115 1.00 0.00 H new ATOM 0 HA VAL A 90 13.154 4.567 -11.841 1.00 0.00 H new ATOM 0 HB VAL A 90 11.101 2.582 -10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.863 1.917 -9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.357 1.560 -10.825 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.025 2.979 -9.984 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.406 3.882 -8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.557 4.952 -9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.847 4.928 -9.998 1.00 0.00 H new ATOM 1431 N GLY A 91 14.155 2.681 -13.153 1.00 0.00 N ATOM 1432 CA GLY A 91 14.717 1.636 -14.059 1.00 0.00 C ATOM 1433 C GLY A 91 16.079 2.092 -14.585 1.00 0.00 C ATOM 1434 O GLY A 91 17.070 1.404 -14.440 1.00 0.00 O ATOM 0 H GLY A 91 14.843 3.313 -12.744 1.00 0.00 H new ATOM 0 HA2 GLY A 91 14.820 0.693 -13.523 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.036 1.457 -14.891 1.00 0.00 H new ATOM 1438 N SER A 92 16.129 3.249 -15.198 1.00 0.00 N ATOM 1439 CA SER A 92 17.421 3.766 -15.745 1.00 0.00 C ATOM 1440 C SER A 92 18.059 2.709 -16.652 1.00 0.00 C ATOM 1441 O SER A 92 18.607 3.086 -17.675 1.00 0.00 O ATOM 1442 CB SER A 92 18.375 4.095 -14.592 1.00 0.00 C ATOM 1443 OG SER A 92 18.052 5.376 -14.067 1.00 0.00 O ATOM 0 H SER A 92 15.326 3.861 -15.344 1.00 0.00 H new ATOM 0 HA SER A 92 17.228 4.669 -16.324 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.295 3.338 -13.811 1.00 0.00 H new ATOM 0 HB3 SER A 92 19.407 4.083 -14.943 1.00 0.00 H new ATOM 0 HG SER A 92 18.659 5.589 -13.328 1.00 0.00 H new TER 1449 SER A 92