USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 382 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.415 X(o=-0.41,f=0) USER MOD Single : A -1 SER OG : rot 180:sc= -0.139 USER MOD Single : A -2 SER OG : rot 37:sc= 1.18 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc=-0.00481 F(o=-0.99,f=-0.0048) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0803 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 30.067 5.213 -14.303 1.00 0.00 N ATOM 2 CA GLY A -6 29.456 4.796 -13.055 1.00 0.00 C ATOM 3 C GLY A -6 28.476 3.655 -13.241 1.00 0.00 C ATOM 4 O GLY A -6 27.297 3.780 -12.912 1.00 0.00 O ATOM 0 H1 GLY A -6 30.728 5.995 -14.122 1.00 0.00 H new ATOM 0 H2 GLY A -6 30.583 4.413 -14.721 1.00 0.00 H new ATOM 0 H3 GLY A -6 29.328 5.531 -14.962 1.00 0.00 H new ATOM 0 HA2 GLY A -6 30.235 4.491 -12.357 1.00 0.00 H new ATOM 0 HA3 GLY A -6 28.940 5.644 -12.606 1.00 0.00 H new ATOM 8 N SER A -5 28.965 2.539 -13.774 1.00 0.00 N ATOM 9 CA SER A -5 28.122 1.372 -14.009 1.00 0.00 C ATOM 10 C SER A -5 27.464 0.907 -12.714 1.00 0.00 C ATOM 11 O SER A -5 28.134 0.407 -11.809 1.00 0.00 O ATOM 12 CB SER A -5 28.948 0.234 -14.612 1.00 0.00 C ATOM 13 OG SER A -5 29.417 0.574 -15.906 1.00 0.00 O ATOM 0 H SER A -5 29.939 2.419 -14.051 1.00 0.00 H new ATOM 0 HA SER A -5 27.339 1.656 -14.712 1.00 0.00 H new ATOM 0 HB2 SER A -5 29.794 0.011 -13.962 1.00 0.00 H new ATOM 0 HB3 SER A -5 28.341 -0.670 -14.667 1.00 0.00 H new ATOM 0 HG SER A -5 29.943 -0.169 -16.269 1.00 0.00 H new ATOM 19 N SER A -4 26.148 1.074 -12.632 1.00 0.00 N ATOM 20 CA SER A -4 25.399 0.676 -11.447 1.00 0.00 C ATOM 21 C SER A -4 24.035 0.110 -11.831 1.00 0.00 C ATOM 22 O SER A -4 23.527 0.370 -12.921 1.00 0.00 O ATOM 23 CB SER A -4 25.222 1.868 -10.504 1.00 0.00 C ATOM 24 OG SER A -4 24.223 2.752 -10.982 1.00 0.00 O ATOM 0 H SER A -4 25.578 1.483 -13.373 1.00 0.00 H new ATOM 0 HA SER A -4 25.965 -0.102 -10.935 1.00 0.00 H new ATOM 0 HB2 SER A -4 24.952 1.512 -9.510 1.00 0.00 H new ATOM 0 HB3 SER A -4 26.167 2.402 -10.406 1.00 0.00 H new ATOM 0 HG SER A -4 24.128 3.504 -10.361 1.00 0.00 H new ATOM 30 N GLY A -3 23.446 -0.666 -10.926 1.00 0.00 N ATOM 31 CA GLY A -3 22.147 -1.257 -11.188 1.00 0.00 C ATOM 32 C GLY A -3 21.190 -1.091 -10.024 1.00 0.00 C ATOM 33 O GLY A -3 21.487 -0.382 -9.063 1.00 0.00 O ATOM 0 H GLY A -3 23.846 -0.896 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A -3 21.715 -0.799 -12.078 1.00 0.00 H new ATOM 0 HA3 GLY A -3 22.271 -2.318 -11.404 1.00 0.00 H new ATOM 37 N SER A -2 20.037 -1.747 -10.110 1.00 0.00 N ATOM 38 CA SER A -2 19.030 -1.665 -9.058 1.00 0.00 C ATOM 39 C SER A -2 17.983 -2.763 -9.222 1.00 0.00 C ATOM 40 O SER A -2 17.669 -3.175 -10.338 1.00 0.00 O ATOM 41 CB SER A -2 18.354 -0.293 -9.076 1.00 0.00 C ATOM 42 OG SER A -2 19.090 0.648 -8.313 1.00 0.00 O ATOM 0 H SER A -2 19.777 -2.341 -10.897 1.00 0.00 H new ATOM 0 HA SER A -2 19.529 -1.803 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A -2 18.264 0.058 -10.104 1.00 0.00 H new ATOM 0 HB3 SER A -2 17.343 -0.377 -8.678 1.00 0.00 H new ATOM 0 HG SER A -2 20.049 0.477 -8.420 1.00 0.00 H new ATOM 48 N SER A -1 17.446 -3.231 -8.100 1.00 0.00 N ATOM 49 CA SER A -1 16.437 -4.283 -8.117 1.00 0.00 C ATOM 50 C SER A -1 15.032 -3.689 -8.126 1.00 0.00 C ATOM 51 O SER A -1 14.177 -4.098 -8.910 1.00 0.00 O ATOM 52 CB SER A -1 16.606 -5.202 -6.905 1.00 0.00 C ATOM 53 OG SER A -1 16.324 -4.512 -5.699 1.00 0.00 O ATOM 0 H SER A -1 17.693 -2.898 -7.168 1.00 0.00 H new ATOM 0 HA SER A -1 16.572 -4.866 -9.028 1.00 0.00 H new ATOM 0 HB2 SER A -1 15.942 -6.061 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.625 -5.589 -6.877 1.00 0.00 H new ATOM 0 HG SER A -1 16.437 -5.121 -4.940 1.00 0.00 H new ATOM 59 N GLY A 0 14.801 -2.719 -7.246 1.00 0.00 N ATOM 60 CA GLY A 0 13.499 -2.083 -7.168 1.00 0.00 C ATOM 61 C GLY A 0 12.539 -2.835 -6.267 1.00 0.00 C ATOM 62 O GLY A 0 12.746 -4.012 -5.974 1.00 0.00 O ATOM 0 H GLY A 0 15.492 -2.363 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 0 13.617 -1.065 -6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 0 13.073 -2.011 -8.169 1.00 0.00 H new ATOM 66 N MET A 1 11.488 -2.153 -5.824 1.00 0.00 N ATOM 67 CA MET A 1 10.493 -2.764 -4.951 1.00 0.00 C ATOM 68 C MET A 1 9.395 -3.439 -5.766 1.00 0.00 C ATOM 69 O MET A 1 8.715 -2.793 -6.564 1.00 0.00 O ATOM 70 CB MET A 1 9.882 -1.712 -4.023 1.00 0.00 C ATOM 71 CG MET A 1 9.213 -2.302 -2.793 1.00 0.00 C ATOM 72 SD MET A 1 10.368 -2.572 -1.435 1.00 0.00 S ATOM 73 CE MET A 1 9.310 -2.264 -0.023 1.00 0.00 C ATOM 0 H MET A 1 11.303 -1.177 -6.055 1.00 0.00 H new ATOM 0 HA MET A 1 10.992 -3.523 -4.349 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.663 -1.022 -3.706 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.149 -1.129 -4.581 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.418 -1.634 -2.461 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.743 -3.249 -3.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.883 -2.392 0.896 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.926 -1.245 -0.072 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.477 -2.967 -0.032 1.00 0.00 H new ATOM 83 N ASP A 2 9.227 -4.741 -5.561 1.00 0.00 N ATOM 84 CA ASP A 2 8.210 -5.503 -6.277 1.00 0.00 C ATOM 85 C ASP A 2 6.827 -5.253 -5.685 1.00 0.00 C ATOM 86 O ASP A 2 6.316 -6.061 -4.910 1.00 0.00 O ATOM 87 CB ASP A 2 8.536 -6.997 -6.230 1.00 0.00 C ATOM 88 CG ASP A 2 10.015 -7.274 -6.413 1.00 0.00 C ATOM 89 OD1 ASP A 2 10.635 -6.632 -7.287 1.00 0.00 O ATOM 90 OD2 ASP A 2 10.553 -8.130 -5.680 1.00 0.00 O ATOM 0 H ASP A 2 9.782 -5.291 -4.905 1.00 0.00 H new ATOM 0 HA ASP A 2 8.206 -5.172 -7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.208 -7.407 -5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.974 -7.513 -7.008 1.00 0.00 H new ATOM 95 N VAL A 3 6.226 -4.126 -6.056 1.00 0.00 N ATOM 96 CA VAL A 3 4.901 -3.769 -5.563 1.00 0.00 C ATOM 97 C VAL A 3 3.855 -4.784 -6.011 1.00 0.00 C ATOM 98 O VAL A 3 2.831 -4.967 -5.352 1.00 0.00 O ATOM 99 CB VAL A 3 4.481 -2.368 -6.046 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.469 -2.309 -7.566 1.00 0.00 C ATOM 101 CG2 VAL A 3 3.120 -1.995 -5.479 1.00 0.00 C ATOM 0 H VAL A 3 6.636 -3.445 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 3 4.959 -3.768 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 3 5.211 -1.644 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.170 -1.312 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.466 -2.530 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.762 -3.043 -7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.839 -1.002 -5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.377 -2.721 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.167 -1.994 -4.390 1.00 0.00 H new ATOM 111 N ARG A 4 4.120 -5.441 -7.135 1.00 0.00 N ATOM 112 CA ARG A 4 3.201 -6.437 -7.672 1.00 0.00 C ATOM 113 C ARG A 4 3.191 -7.691 -6.803 1.00 0.00 C ATOM 114 O ARG A 4 2.207 -8.431 -6.775 1.00 0.00 O ATOM 115 CB ARG A 4 3.591 -6.801 -9.106 1.00 0.00 C ATOM 116 CG ARG A 4 3.465 -5.644 -10.084 1.00 0.00 C ATOM 117 CD ARG A 4 3.367 -6.135 -11.519 1.00 0.00 C ATOM 118 NE ARG A 4 4.670 -6.516 -12.057 1.00 0.00 N ATOM 119 CZ ARG A 4 5.589 -5.639 -12.447 1.00 0.00 C ATOM 120 NH1 ARG A 4 5.348 -4.338 -12.359 1.00 0.00 N ATOM 121 NH2 ARG A 4 6.752 -6.063 -12.926 1.00 0.00 N ATOM 0 H ARG A 4 4.963 -5.302 -7.691 1.00 0.00 H new ATOM 0 HA ARG A 4 2.199 -6.008 -7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.620 -7.161 -9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.962 -7.624 -9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.582 -5.054 -9.839 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.327 -4.985 -9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.692 -6.990 -11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.933 -5.352 -12.141 1.00 0.00 H new ATOM 0 HE ARG A 4 4.887 -7.509 -12.138 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.456 -4.008 -11.991 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.055 -3.667 -12.659 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.941 -7.063 -12.995 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.457 -5.389 -13.225 1.00 0.00 H new ATOM 135 N ARG A 5 4.292 -7.925 -6.096 1.00 0.00 N ATOM 136 CA ARG A 5 4.410 -9.090 -5.228 1.00 0.00 C ATOM 137 C ARG A 5 3.773 -8.821 -3.868 1.00 0.00 C ATOM 138 O ARG A 5 3.281 -9.738 -3.209 1.00 0.00 O ATOM 139 CB ARG A 5 5.880 -9.471 -5.048 1.00 0.00 C ATOM 140 CG ARG A 5 6.155 -10.252 -3.773 1.00 0.00 C ATOM 141 CD ARG A 5 7.364 -11.161 -3.926 1.00 0.00 C ATOM 142 NE ARG A 5 7.460 -12.132 -2.839 1.00 0.00 N ATOM 143 CZ ARG A 5 8.264 -13.189 -2.866 1.00 0.00 C ATOM 144 NH1 ARG A 5 9.037 -13.411 -3.920 1.00 0.00 N ATOM 145 NH2 ARG A 5 8.295 -14.027 -1.838 1.00 0.00 N ATOM 0 H ARG A 5 5.115 -7.323 -6.108 1.00 0.00 H new ATOM 0 HA ARG A 5 3.882 -9.919 -5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.200 -10.065 -5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.484 -8.564 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.322 -9.558 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.280 -10.849 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.303 -11.688 -4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.271 -10.557 -3.953 1.00 0.00 H new ATOM 0 HE ARG A 5 6.878 -11.991 -2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.015 -12.769 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.654 -14.223 -3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.701 -13.860 -1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.913 -14.838 -1.860 1.00 0.00 H new ATOM 159 N LEU A 6 3.786 -7.559 -3.453 1.00 0.00 N ATOM 160 CA LEU A 6 3.210 -7.169 -2.171 1.00 0.00 C ATOM 161 C LEU A 6 1.743 -7.578 -2.086 1.00 0.00 C ATOM 162 O LEU A 6 0.981 -7.400 -3.036 1.00 0.00 O ATOM 163 CB LEU A 6 3.342 -5.658 -1.969 1.00 0.00 C ATOM 164 CG LEU A 6 4.745 -5.145 -1.644 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.757 -3.625 -1.587 1.00 0.00 C ATOM 166 CD2 LEU A 6 5.238 -5.734 -0.331 1.00 0.00 C ATOM 0 H LEU A 6 4.189 -6.788 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 6 3.758 -7.685 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.995 -5.159 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.672 -5.359 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 6 5.421 -5.464 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.764 -3.278 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.448 -3.222 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.068 -3.284 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.238 -5.358 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.561 -5.446 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.268 -6.821 -0.408 1.00 0.00 H new ATOM 178 N LYS A 7 1.353 -8.127 -0.940 1.00 0.00 N ATOM 179 CA LYS A 7 -0.023 -8.559 -0.727 1.00 0.00 C ATOM 180 C LYS A 7 -0.970 -7.364 -0.695 1.00 0.00 C ATOM 181 O LYS A 7 -0.539 -6.222 -0.534 1.00 0.00 O ATOM 182 CB LYS A 7 -0.136 -9.348 0.579 1.00 0.00 C ATOM 183 CG LYS A 7 0.275 -10.804 0.448 1.00 0.00 C ATOM 184 CD LYS A 7 0.851 -11.340 1.748 1.00 0.00 C ATOM 185 CE LYS A 7 0.707 -12.852 1.840 1.00 0.00 C ATOM 186 NZ LYS A 7 1.467 -13.412 2.991 1.00 0.00 N ATOM 0 H LYS A 7 1.971 -8.283 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.307 -9.203 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.485 -8.871 1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.165 -9.300 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.589 -11.402 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.014 -10.904 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.904 -11.069 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.343 -10.873 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.347 -13.111 1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.061 -13.308 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.344 -14.444 3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.477 -13.187 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.113 -12.997 3.876 1.00 0.00 H new ATOM 200 N VAL A 8 -2.263 -7.634 -0.849 1.00 0.00 N ATOM 201 CA VAL A 8 -3.271 -6.581 -0.835 1.00 0.00 C ATOM 202 C VAL A 8 -3.181 -5.751 0.441 1.00 0.00 C ATOM 203 O VAL A 8 -3.416 -4.544 0.426 1.00 0.00 O ATOM 204 CB VAL A 8 -4.692 -7.162 -0.957 1.00 0.00 C ATOM 205 CG1 VAL A 8 -4.943 -7.666 -2.370 1.00 0.00 C ATOM 206 CG2 VAL A 8 -4.901 -8.275 0.059 1.00 0.00 C ATOM 0 H VAL A 8 -2.637 -8.573 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.073 -5.942 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.410 -6.369 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.952 -8.073 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.837 -6.841 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.221 -8.445 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.910 -8.674 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.177 -9.070 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.766 -7.879 1.065 1.00 0.00 H new ATOM 216 N ASN A 9 -2.839 -6.408 1.545 1.00 0.00 N ATOM 217 CA ASN A 9 -2.719 -5.731 2.831 1.00 0.00 C ATOM 218 C ASN A 9 -1.544 -4.758 2.825 1.00 0.00 C ATOM 219 O ASN A 9 -1.652 -3.637 3.323 1.00 0.00 O ATOM 220 CB ASN A 9 -2.541 -6.754 3.955 1.00 0.00 C ATOM 221 CG ASN A 9 -3.867 -7.221 4.526 1.00 0.00 C ATOM 222 OD1 ASN A 9 -4.249 -6.835 5.631 1.00 0.00 O ATOM 223 ND2 ASN A 9 -4.574 -8.056 3.774 1.00 0.00 N ATOM 0 H ASN A 9 -2.640 -7.408 1.575 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.636 -5.167 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.988 -7.614 3.576 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -1.940 -6.314 4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.473 -8.404 4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.218 -8.349 2.864 1.00 0.00 H new ATOM 230 N GLU A 10 -0.424 -5.194 2.257 1.00 0.00 N ATOM 231 CA GLU A 10 0.771 -4.360 2.187 1.00 0.00 C ATOM 232 C GLU A 10 0.531 -3.139 1.303 1.00 0.00 C ATOM 233 O GLU A 10 0.912 -2.021 1.652 1.00 0.00 O ATOM 234 CB GLU A 10 1.953 -5.169 1.649 1.00 0.00 C ATOM 235 CG GLU A 10 2.315 -6.366 2.512 1.00 0.00 C ATOM 236 CD GLU A 10 3.162 -5.985 3.711 1.00 0.00 C ATOM 237 OE1 GLU A 10 2.693 -5.170 4.533 1.00 0.00 O ATOM 238 OE2 GLU A 10 4.292 -6.502 3.828 1.00 0.00 O ATOM 0 H GLU A 10 -0.319 -6.119 1.839 1.00 0.00 H new ATOM 0 HA GLU A 10 1.004 -4.017 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.717 -5.515 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.822 -4.516 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.401 -6.851 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.854 -7.095 1.908 1.00 0.00 H new ATOM 245 N LEU A 11 -0.103 -3.362 0.157 1.00 0.00 N ATOM 246 CA LEU A 11 -0.394 -2.281 -0.779 1.00 0.00 C ATOM 247 C LEU A 11 -1.307 -1.239 -0.140 1.00 0.00 C ATOM 248 O LEU A 11 -1.127 -0.037 -0.339 1.00 0.00 O ATOM 249 CB LEU A 11 -1.045 -2.838 -2.046 1.00 0.00 C ATOM 250 CG LEU A 11 -0.284 -3.960 -2.754 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.206 -4.717 -3.697 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.912 -3.400 -3.509 1.00 0.00 C ATOM 0 H LEU A 11 -0.425 -4.281 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 11 0.547 -1.799 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.038 -3.206 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.182 -2.018 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 11 0.082 -4.657 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.648 -5.511 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.029 -5.151 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.603 -4.032 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.441 -4.213 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.569 -2.682 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.584 -2.904 -2.809 1.00 0.00 H new ATOM 264 N ARG A 12 -2.284 -1.708 0.628 1.00 0.00 N ATOM 265 CA ARG A 12 -3.224 -0.817 1.297 1.00 0.00 C ATOM 266 C ARG A 12 -2.515 0.031 2.350 1.00 0.00 C ATOM 267 O ARG A 12 -2.824 1.209 2.522 1.00 0.00 O ATOM 268 CB ARG A 12 -4.349 -1.623 1.949 1.00 0.00 C ATOM 269 CG ARG A 12 -5.464 -2.000 0.987 1.00 0.00 C ATOM 270 CD ARG A 12 -6.124 -3.311 1.386 1.00 0.00 C ATOM 271 NE ARG A 12 -7.216 -3.670 0.485 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.195 -4.505 0.814 1.00 0.00 C ATOM 273 NH1 ARG A 12 -8.219 -5.063 2.016 1.00 0.00 N ATOM 274 NH2 ARG A 12 -9.154 -4.782 -0.060 1.00 0.00 N ATOM 0 H ARG A 12 -2.446 -2.700 0.803 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.651 -0.152 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.930 -2.532 2.381 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.770 -1.044 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.211 -1.207 0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.062 -2.086 -0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.379 -4.106 1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.506 -3.230 2.404 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.227 -3.257 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.484 -4.852 2.691 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.972 -5.704 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.140 -4.354 -0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.905 -5.423 0.194 1.00 0.00 H new ATOM 288 N GLU A 13 -1.565 -0.579 3.051 1.00 0.00 N ATOM 289 CA GLU A 13 -0.814 0.120 4.087 1.00 0.00 C ATOM 290 C GLU A 13 0.054 1.220 3.483 1.00 0.00 C ATOM 291 O GLU A 13 0.114 2.333 4.003 1.00 0.00 O ATOM 292 CB GLU A 13 0.062 -0.865 4.866 1.00 0.00 C ATOM 293 CG GLU A 13 -0.705 -1.677 5.896 1.00 0.00 C ATOM 294 CD GLU A 13 0.210 -2.426 6.846 1.00 0.00 C ATOM 295 OE1 GLU A 13 1.272 -2.904 6.396 1.00 0.00 O ATOM 296 OE2 GLU A 13 -0.137 -2.533 8.042 1.00 0.00 O ATOM 0 H GLU A 13 -1.297 -1.555 2.921 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.529 0.579 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.542 -1.546 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.856 -0.313 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.352 -1.013 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.352 -2.389 5.384 1.00 0.00 H new ATOM 303 N GLU A 14 0.724 0.898 2.380 1.00 0.00 N ATOM 304 CA GLU A 14 1.589 1.859 1.706 1.00 0.00 C ATOM 305 C GLU A 14 0.790 3.067 1.226 1.00 0.00 C ATOM 306 O GLU A 14 1.198 4.213 1.423 1.00 0.00 O ATOM 307 CB GLU A 14 2.296 1.198 0.521 1.00 0.00 C ATOM 308 CG GLU A 14 3.218 0.059 0.920 1.00 0.00 C ATOM 309 CD GLU A 14 4.383 -0.112 -0.036 1.00 0.00 C ATOM 310 OE1 GLU A 14 4.658 0.828 -0.810 1.00 0.00 O ATOM 311 OE2 GLU A 14 5.020 -1.186 -0.008 1.00 0.00 O ATOM 0 H GLU A 14 0.684 -0.019 1.935 1.00 0.00 H new ATOM 0 HA GLU A 14 2.337 2.201 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.546 0.820 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.874 1.952 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.601 0.241 1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.647 -0.869 0.960 1.00 0.00 H new ATOM 318 N LEU A 15 -0.349 2.804 0.595 1.00 0.00 N ATOM 319 CA LEU A 15 -1.206 3.869 0.086 1.00 0.00 C ATOM 320 C LEU A 15 -1.730 4.737 1.225 1.00 0.00 C ATOM 321 O LEU A 15 -1.883 5.949 1.074 1.00 0.00 O ATOM 322 CB LEU A 15 -2.377 3.276 -0.699 1.00 0.00 C ATOM 323 CG LEU A 15 -2.062 2.799 -2.117 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.172 1.899 -2.637 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.857 3.987 -3.046 1.00 0.00 C ATOM 0 H LEU A 15 -0.701 1.862 0.424 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.611 4.495 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.777 2.434 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.166 4.025 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.138 2.222 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.930 1.570 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.271 1.030 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.112 2.451 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.634 3.629 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.764 4.591 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.026 4.593 -2.684 1.00 0.00 H new ATOM 337 N GLN A 16 -2.000 4.109 2.365 1.00 0.00 N ATOM 338 CA GLN A 16 -2.506 4.826 3.530 1.00 0.00 C ATOM 339 C GLN A 16 -1.452 5.781 4.081 1.00 0.00 C ATOM 340 O GLN A 16 -1.766 6.897 4.494 1.00 0.00 O ATOM 341 CB GLN A 16 -2.934 3.838 4.617 1.00 0.00 C ATOM 342 CG GLN A 16 -3.965 4.404 5.581 1.00 0.00 C ATOM 343 CD GLN A 16 -4.721 3.322 6.326 1.00 0.00 C ATOM 344 OE1 GLN A 16 -5.883 3.043 6.029 1.00 0.00 O ATOM 345 NE2 GLN A 16 -4.065 2.705 7.302 1.00 0.00 N ATOM 0 H GLN A 16 -1.877 3.106 2.507 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.372 5.410 3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.342 2.945 4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.054 3.527 5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.467 5.055 6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.673 5.022 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.103 2.968 7.515 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.523 1.969 7.839 1.00 0.00 H new ATOM 354 N ARG A 17 -0.200 5.334 4.085 1.00 0.00 N ATOM 355 CA ARG A 17 0.900 6.148 4.587 1.00 0.00 C ATOM 356 C ARG A 17 1.140 7.355 3.684 1.00 0.00 C ATOM 357 O ARG A 17 1.641 8.387 4.131 1.00 0.00 O ATOM 358 CB ARG A 17 2.177 5.312 4.688 1.00 0.00 C ATOM 359 CG ARG A 17 3.373 6.087 5.217 1.00 0.00 C ATOM 360 CD ARG A 17 4.683 5.502 4.714 1.00 0.00 C ATOM 361 NE ARG A 17 5.842 6.173 5.296 1.00 0.00 N ATOM 362 CZ ARG A 17 6.190 7.422 5.007 1.00 0.00 C ATOM 363 NH1 ARG A 17 5.471 8.132 4.148 1.00 0.00 N ATOM 364 NH2 ARG A 17 7.258 7.964 5.578 1.00 0.00 N ATOM 0 H ARG A 17 0.077 4.413 3.746 1.00 0.00 H new ATOM 0 HA ARG A 17 0.629 6.507 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.991 4.458 5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.420 4.914 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.297 7.130 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.363 6.075 6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.721 4.439 4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.724 5.585 3.628 1.00 0.00 H new ATOM 0 HE ARG A 17 6.416 5.654 5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.649 7.719 3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.740 9.091 3.928 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.813 7.422 6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.524 8.923 5.355 1.00 0.00 H new ATOM 378 N ARG A 18 0.779 7.217 2.412 1.00 0.00 N ATOM 379 CA ARG A 18 0.956 8.295 1.447 1.00 0.00 C ATOM 380 C ARG A 18 -0.338 9.084 1.269 1.00 0.00 C ATOM 381 O ARG A 18 -0.508 9.803 0.286 1.00 0.00 O ATOM 382 CB ARG A 18 1.411 7.731 0.099 1.00 0.00 C ATOM 383 CG ARG A 18 2.848 7.233 0.101 1.00 0.00 C ATOM 384 CD ARG A 18 3.404 7.133 -1.310 1.00 0.00 C ATOM 385 NE ARG A 18 4.856 7.293 -1.338 1.00 0.00 N ATOM 386 CZ ARG A 18 5.466 8.472 -1.286 1.00 0.00 C ATOM 387 NH1 ARG A 18 4.755 9.588 -1.203 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.791 8.536 -1.317 1.00 0.00 N ATOM 0 H ARG A 18 0.362 6.370 2.026 1.00 0.00 H new ATOM 0 HA ARG A 18 1.722 8.969 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.751 6.910 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.304 8.503 -0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.468 7.909 0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.895 6.256 0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.137 6.166 -1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.943 7.896 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 18 5.433 6.454 -1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.736 9.543 -1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.227 10.491 -1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.342 7.680 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.259 9.441 -1.277 1.00 0.00 H new ATOM 402 N GLY A 19 -1.248 8.942 2.228 1.00 0.00 N ATOM 403 CA GLY A 19 -2.515 9.646 2.158 1.00 0.00 C ATOM 404 C GLY A 19 -3.335 9.246 0.948 1.00 0.00 C ATOM 405 O GLY A 19 -4.334 9.891 0.625 1.00 0.00 O ATOM 0 H GLY A 19 -1.130 8.352 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.088 9.447 3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.329 10.720 2.128 1.00 0.00 H new ATOM 409 N LEU A 20 -2.913 8.181 0.276 1.00 0.00 N ATOM 410 CA LEU A 20 -3.615 7.696 -0.908 1.00 0.00 C ATOM 411 C LEU A 20 -4.755 6.759 -0.519 1.00 0.00 C ATOM 412 O LEU A 20 -4.660 6.024 0.464 1.00 0.00 O ATOM 413 CB LEU A 20 -2.642 6.974 -1.841 1.00 0.00 C ATOM 414 CG LEU A 20 -1.502 7.821 -2.408 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.557 6.961 -3.232 1.00 0.00 C ATOM 416 CD2 LEU A 20 -2.054 8.964 -3.247 1.00 0.00 C ATOM 0 H LEU A 20 -2.089 7.637 0.530 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.037 8.556 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.209 6.133 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.209 6.559 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.941 8.245 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.248 7.581 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.136 6.177 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.105 6.507 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.229 9.556 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.639 8.560 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.690 9.596 -2.627 1.00 0.00 H new ATOM 428 N ASP A 21 -5.830 6.790 -1.298 1.00 0.00 N ATOM 429 CA ASP A 21 -6.987 5.941 -1.038 1.00 0.00 C ATOM 430 C ASP A 21 -6.587 4.469 -1.014 1.00 0.00 C ATOM 431 O ASP A 21 -5.639 4.061 -1.685 1.00 0.00 O ATOM 432 CB ASP A 21 -8.065 6.172 -2.099 1.00 0.00 C ATOM 433 CG ASP A 21 -9.463 5.927 -1.567 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.611 5.090 -0.652 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.409 6.572 -2.065 1.00 0.00 O ATOM 0 H ASP A 21 -5.925 7.394 -2.115 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.388 6.206 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.994 7.195 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.882 5.513 -2.948 1.00 0.00 H new ATOM 440 N THR A 22 -7.316 3.676 -0.235 1.00 0.00 N ATOM 441 CA THR A 22 -7.036 2.250 -0.121 1.00 0.00 C ATOM 442 C THR A 22 -8.213 1.417 -0.617 1.00 0.00 C ATOM 443 O THR A 22 -8.428 0.295 -0.158 1.00 0.00 O ATOM 444 CB THR A 22 -6.718 1.854 1.333 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.714 2.386 2.215 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.345 2.363 1.745 1.00 0.00 C ATOM 0 H THR A 22 -8.105 3.997 0.326 1.00 0.00 H new ATOM 0 HA THR A 22 -6.164 2.049 -0.743 1.00 0.00 H new ATOM 0 HB THR A 22 -6.719 0.766 1.398 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.506 2.128 3.137 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.143 2.071 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.586 1.933 1.091 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.321 3.450 1.664 1.00 0.00 H new ATOM 454 N ARG A 23 -8.971 1.973 -1.556 1.00 0.00 N ATOM 455 CA ARG A 23 -10.126 1.281 -2.114 1.00 0.00 C ATOM 456 C ARG A 23 -9.815 0.738 -3.506 1.00 0.00 C ATOM 457 O ARG A 23 -8.759 1.018 -4.071 1.00 0.00 O ATOM 458 CB ARG A 23 -11.329 2.224 -2.180 1.00 0.00 C ATOM 459 CG ARG A 23 -11.810 2.694 -0.817 1.00 0.00 C ATOM 460 CD ARG A 23 -12.857 3.789 -0.943 1.00 0.00 C ATOM 461 NE ARG A 23 -14.202 3.245 -1.112 1.00 0.00 N ATOM 462 CZ ARG A 23 -14.695 2.856 -2.283 1.00 0.00 C ATOM 463 NH1 ARG A 23 -13.958 2.950 -3.381 1.00 0.00 N ATOM 464 NH2 ARG A 23 -15.928 2.371 -2.357 1.00 0.00 N ATOM 0 H ARG A 23 -8.806 2.901 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.366 0.442 -1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.066 3.093 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.149 1.718 -2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.228 1.851 -0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.963 3.064 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.830 4.420 -0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.614 4.426 -1.793 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.795 3.159 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.010 3.322 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.339 2.651 -4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.498 2.297 -1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.306 2.073 -3.256 1.00 0.00 H new ATOM 478 N GLY A 24 -10.743 -0.042 -4.052 1.00 0.00 N ATOM 479 CA GLY A 24 -10.549 -0.613 -5.372 1.00 0.00 C ATOM 480 C GLY A 24 -9.892 -1.978 -5.323 1.00 0.00 C ATOM 481 O GLY A 24 -9.310 -2.359 -4.306 1.00 0.00 O ATOM 0 H GLY A 24 -11.625 -0.289 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.513 -0.695 -5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.935 0.061 -5.969 1.00 0.00 H new ATOM 485 N LEU A 25 -9.986 -2.718 -6.422 1.00 0.00 N ATOM 486 CA LEU A 25 -9.397 -4.050 -6.500 1.00 0.00 C ATOM 487 C LEU A 25 -7.891 -3.995 -6.261 1.00 0.00 C ATOM 488 O LEU A 25 -7.286 -2.923 -6.290 1.00 0.00 O ATOM 489 CB LEU A 25 -9.686 -4.678 -7.864 1.00 0.00 C ATOM 490 CG LEU A 25 -11.146 -5.036 -8.143 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.324 -5.464 -9.591 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.616 -6.133 -7.199 1.00 0.00 C ATOM 0 H LEU A 25 -10.465 -2.418 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.847 -4.665 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.348 -3.989 -8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.086 -5.583 -7.959 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.756 -4.150 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.369 -5.715 -9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.028 -4.648 -10.251 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.702 -6.336 -9.792 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.657 -6.375 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.001 -7.022 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.527 -5.789 -6.169 1.00 0.00 H new ATOM 504 N LYS A 26 -7.291 -5.157 -6.028 1.00 0.00 N ATOM 505 CA LYS A 26 -5.856 -5.243 -5.788 1.00 0.00 C ATOM 506 C LYS A 26 -5.077 -4.520 -6.883 1.00 0.00 C ATOM 507 O LYS A 26 -4.158 -3.751 -6.599 1.00 0.00 O ATOM 508 CB LYS A 26 -5.416 -6.707 -5.718 1.00 0.00 C ATOM 509 CG LYS A 26 -3.933 -6.884 -5.445 1.00 0.00 C ATOM 510 CD LYS A 26 -3.399 -8.162 -6.070 1.00 0.00 C ATOM 511 CE LYS A 26 -1.881 -8.226 -6.000 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.348 -9.460 -6.641 1.00 0.00 N ATOM 0 H LYS A 26 -7.777 -6.053 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.643 -4.760 -4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.984 -7.211 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.665 -7.198 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.385 -6.028 -5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.760 -6.904 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.824 -9.024 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.719 -8.221 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.458 -7.350 -6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.564 -8.192 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.310 -9.466 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.732 -10.296 -6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.629 -9.480 -7.642 1.00 0.00 H new ATOM 526 N ALA A 27 -5.452 -4.770 -8.133 1.00 0.00 N ATOM 527 CA ALA A 27 -4.791 -4.140 -9.269 1.00 0.00 C ATOM 528 C ALA A 27 -4.841 -2.620 -9.159 1.00 0.00 C ATOM 529 O ALA A 27 -3.885 -1.931 -9.515 1.00 0.00 O ATOM 530 CB ALA A 27 -5.429 -4.598 -10.572 1.00 0.00 C ATOM 0 H ALA A 27 -6.210 -5.404 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.744 -4.445 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.925 -4.119 -11.412 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.336 -5.680 -10.662 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.484 -4.323 -10.577 1.00 0.00 H new ATOM 536 N GLU A 28 -5.962 -2.103 -8.666 1.00 0.00 N ATOM 537 CA GLU A 28 -6.136 -0.663 -8.511 1.00 0.00 C ATOM 538 C GLU A 28 -5.162 -0.105 -7.478 1.00 0.00 C ATOM 539 O GLU A 28 -4.654 1.007 -7.624 1.00 0.00 O ATOM 540 CB GLU A 28 -7.574 -0.342 -8.099 1.00 0.00 C ATOM 541 CG GLU A 28 -8.578 -0.482 -9.230 1.00 0.00 C ATOM 542 CD GLU A 28 -8.299 0.468 -10.378 1.00 0.00 C ATOM 543 OE1 GLU A 28 -7.704 1.539 -10.131 1.00 0.00 O ATOM 544 OE2 GLU A 28 -8.674 0.143 -11.524 1.00 0.00 O ATOM 0 H GLU A 28 -6.763 -2.659 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.928 -0.192 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.865 -1.003 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.614 0.677 -7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.563 -1.507 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.581 -0.297 -8.846 1.00 0.00 H new ATOM 551 N LEU A 29 -4.906 -0.885 -6.434 1.00 0.00 N ATOM 552 CA LEU A 29 -3.993 -0.470 -5.374 1.00 0.00 C ATOM 553 C LEU A 29 -2.555 -0.424 -5.881 1.00 0.00 C ATOM 554 O LEU A 29 -1.823 0.529 -5.615 1.00 0.00 O ATOM 555 CB LEU A 29 -4.095 -1.425 -4.183 1.00 0.00 C ATOM 556 CG LEU A 29 -5.496 -1.633 -3.608 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.501 -2.786 -2.617 1.00 0.00 C ATOM 558 CD2 LEU A 29 -5.996 -0.357 -2.946 1.00 0.00 C ATOM 0 H LEU A 29 -5.318 -1.808 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.279 0.532 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.701 -2.395 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.449 -1.052 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.170 -1.882 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.507 -2.919 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.187 -3.700 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.813 -2.567 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.995 -0.524 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.320 -0.077 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.032 0.445 -3.683 1.00 0.00 H new ATOM 570 N ALA A 30 -2.158 -1.458 -6.616 1.00 0.00 N ATOM 571 CA ALA A 30 -0.810 -1.533 -7.164 1.00 0.00 C ATOM 572 C ALA A 30 -0.531 -0.360 -8.098 1.00 0.00 C ATOM 573 O ALA A 30 0.513 0.285 -8.003 1.00 0.00 O ATOM 574 CB ALA A 30 -0.611 -2.852 -7.896 1.00 0.00 C ATOM 0 H ALA A 30 -2.751 -2.255 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.104 -1.480 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.400 -2.895 -8.300 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.760 -3.679 -7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.331 -2.928 -8.711 1.00 0.00 H new ATOM 580 N GLU A 31 -1.470 -0.090 -8.999 1.00 0.00 N ATOM 581 CA GLU A 31 -1.323 1.005 -9.950 1.00 0.00 C ATOM 582 C GLU A 31 -1.279 2.349 -9.230 1.00 0.00 C ATOM 583 O GLU A 31 -0.500 3.233 -9.589 1.00 0.00 O ATOM 584 CB GLU A 31 -2.473 0.991 -10.959 1.00 0.00 C ATOM 585 CG GLU A 31 -2.553 -0.288 -11.775 1.00 0.00 C ATOM 586 CD GLU A 31 -3.803 -0.357 -12.631 1.00 0.00 C ATOM 587 OE1 GLU A 31 -4.805 0.295 -12.271 1.00 0.00 O ATOM 588 OE2 GLU A 31 -3.779 -1.064 -13.660 1.00 0.00 O ATOM 0 H GLU A 31 -2.340 -0.614 -9.090 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.381 0.867 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.414 1.131 -10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.361 1.837 -11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.674 -0.361 -12.416 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.530 -1.146 -11.103 1.00 0.00 H new ATOM 595 N ARG A 32 -2.122 2.497 -8.213 1.00 0.00 N ATOM 596 CA ARG A 32 -2.181 3.733 -7.443 1.00 0.00 C ATOM 597 C ARG A 32 -0.835 4.031 -6.788 1.00 0.00 C ATOM 598 O ARG A 32 -0.276 5.115 -6.961 1.00 0.00 O ATOM 599 CB ARG A 32 -3.271 3.641 -6.373 1.00 0.00 C ATOM 600 CG ARG A 32 -3.899 4.981 -6.026 1.00 0.00 C ATOM 601 CD ARG A 32 -5.032 4.823 -5.025 1.00 0.00 C ATOM 602 NE ARG A 32 -6.053 5.854 -5.186 1.00 0.00 N ATOM 603 CZ ARG A 32 -5.840 7.144 -4.949 1.00 0.00 C ATOM 604 NH1 ARG A 32 -4.647 7.557 -4.542 1.00 0.00 N ATOM 605 NH2 ARG A 32 -6.819 8.022 -5.119 1.00 0.00 N ATOM 0 H ARG A 32 -2.774 1.776 -7.903 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.421 4.547 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.051 2.962 -6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.845 3.204 -5.470 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.139 5.645 -5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.277 5.453 -6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.487 3.840 -5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.630 4.866 -4.013 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.981 5.568 -5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.892 6.884 -4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.485 8.548 -4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.737 7.708 -5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.654 9.012 -4.937 1.00 0.00 H new ATOM 619 N LEU A 33 -0.322 3.064 -6.037 1.00 0.00 N ATOM 620 CA LEU A 33 0.959 3.223 -5.356 1.00 0.00 C ATOM 621 C LEU A 33 2.083 3.459 -6.359 1.00 0.00 C ATOM 622 O LEU A 33 2.932 4.328 -6.159 1.00 0.00 O ATOM 623 CB LEU A 33 1.266 1.985 -4.511 1.00 0.00 C ATOM 624 CG LEU A 33 2.656 1.933 -3.877 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.912 3.182 -3.048 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.807 0.683 -3.022 1.00 0.00 C ATOM 0 H LEU A 33 -0.772 2.162 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 33 0.891 4.093 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.523 1.919 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.141 1.102 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 33 3.397 1.894 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.906 3.127 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.848 4.062 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.165 3.253 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.803 0.663 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.058 0.691 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.669 -0.202 -3.643 1.00 0.00 H new ATOM 638 N GLN A 34 2.081 2.682 -7.437 1.00 0.00 N ATOM 639 CA GLN A 34 3.101 2.809 -8.471 1.00 0.00 C ATOM 640 C GLN A 34 3.095 4.210 -9.073 1.00 0.00 C ATOM 641 O GLN A 34 4.149 4.798 -9.313 1.00 0.00 O ATOM 642 CB GLN A 34 2.875 1.769 -9.570 1.00 0.00 C ATOM 643 CG GLN A 34 4.052 1.623 -10.520 1.00 0.00 C ATOM 644 CD GLN A 34 4.143 0.237 -11.128 1.00 0.00 C ATOM 645 OE1 GLN A 34 4.582 -0.731 -10.333 1.00 0.00 O flip ATOM 646 NE2 GLN A 34 3.822 0.038 -12.301 1.00 0.00 N flip ATOM 0 H GLN A 34 1.385 1.958 -7.617 1.00 0.00 H new ATOM 0 HA GLN A 34 4.073 2.636 -8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.670 0.803 -9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.989 2.044 -10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.964 2.360 -11.318 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.976 1.842 -9.984 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.489 0.811 -12.877 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.889 -0.900 -12.696 1.00 0.00 H new ATOM 655 N ALA A 35 1.900 4.740 -9.314 1.00 0.00 N ATOM 656 CA ALA A 35 1.757 6.073 -9.886 1.00 0.00 C ATOM 657 C ALA A 35 2.423 7.124 -9.004 1.00 0.00 C ATOM 658 O ALA A 35 3.064 8.049 -9.501 1.00 0.00 O ATOM 659 CB ALA A 35 0.286 6.406 -10.087 1.00 0.00 C ATOM 0 H ALA A 35 1.017 4.266 -9.122 1.00 0.00 H new ATOM 0 HA ALA A 35 2.256 6.081 -10.855 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.194 7.404 -10.515 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.163 5.679 -10.764 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.229 6.374 -9.127 1.00 0.00 H new ATOM 665 N ALA A 36 2.268 6.974 -7.693 1.00 0.00 N ATOM 666 CA ALA A 36 2.856 7.909 -6.742 1.00 0.00 C ATOM 667 C ALA A 36 4.367 7.728 -6.658 1.00 0.00 C ATOM 668 O ALA A 36 5.117 8.703 -6.587 1.00 0.00 O ATOM 669 CB ALA A 36 2.224 7.732 -5.369 1.00 0.00 C ATOM 0 H ALA A 36 1.740 6.213 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 36 2.657 8.921 -7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.672 8.436 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.152 7.919 -5.435 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.394 6.714 -5.019 1.00 0.00 H new ATOM 675 N LEU A 37 4.810 6.476 -6.665 1.00 0.00 N ATOM 676 CA LEU A 37 6.234 6.167 -6.589 1.00 0.00 C ATOM 677 C LEU A 37 6.973 6.700 -7.812 1.00 0.00 C ATOM 678 O LEU A 37 8.048 7.288 -7.693 1.00 0.00 O ATOM 679 CB LEU A 37 6.443 4.656 -6.471 1.00 0.00 C ATOM 680 CG LEU A 37 6.241 4.058 -5.078 1.00 0.00 C ATOM 681 CD1 LEU A 37 6.088 2.547 -5.164 1.00 0.00 C ATOM 682 CD2 LEU A 37 7.400 4.427 -4.165 1.00 0.00 C ATOM 0 H LEU A 37 4.204 5.658 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 37 6.639 6.654 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.760 4.160 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.455 4.422 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 37 5.326 4.473 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.945 2.138 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.224 2.303 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.985 2.115 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.239 3.993 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.330 4.042 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.464 5.512 -4.078 1.00 0.00 H new ATOM 694 N SER A 38 6.388 6.491 -8.988 1.00 0.00 N ATOM 695 CA SER A 38 6.992 6.949 -10.234 1.00 0.00 C ATOM 696 C SER A 38 7.408 8.413 -10.130 1.00 0.00 C ATOM 697 O SER A 38 6.571 9.298 -9.959 1.00 0.00 O ATOM 698 CB SER A 38 6.014 6.767 -11.396 1.00 0.00 C ATOM 699 OG SER A 38 6.639 7.044 -12.637 1.00 0.00 O ATOM 0 H SER A 38 5.497 6.008 -9.104 1.00 0.00 H new ATOM 0 HA SER A 38 7.882 6.348 -10.420 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.632 5.746 -11.397 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.157 7.427 -11.261 1.00 0.00 H new ATOM 0 HG SER A 38 5.993 6.919 -13.364 1.00 0.00 H new ATOM 705 N GLY A 39 8.711 8.660 -10.234 1.00 0.00 N ATOM 706 CA GLY A 39 9.217 10.017 -10.149 1.00 0.00 C ATOM 707 C GLY A 39 8.535 10.953 -11.127 1.00 0.00 C ATOM 708 O GLY A 39 7.921 10.524 -12.105 1.00 0.00 O ATOM 0 H GLY A 39 9.424 7.945 -10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.076 10.391 -9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.290 10.014 -10.342 1.00 0.00 H new ATOM 712 N PRO A 40 8.637 12.265 -10.867 1.00 0.00 N ATOM 713 CA PRO A 40 8.031 13.291 -11.720 1.00 0.00 C ATOM 714 C PRO A 40 8.725 13.405 -13.073 1.00 0.00 C ATOM 715 O PRO A 40 9.713 14.126 -13.215 1.00 0.00 O ATOM 716 CB PRO A 40 8.216 14.578 -10.913 1.00 0.00 C ATOM 717 CG PRO A 40 9.398 14.315 -10.046 1.00 0.00 C ATOM 718 CD PRO A 40 9.354 12.847 -9.720 1.00 0.00 C ATOM 0 HA PRO A 40 6.991 13.064 -11.954 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.387 15.434 -11.566 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.331 14.803 -10.318 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.324 14.573 -10.560 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.358 14.918 -9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.355 12.428 -9.617 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.832 12.659 -8.782 1.00 0.00 H new ATOM 726 N SER A 41 8.202 12.691 -14.064 1.00 0.00 N ATOM 727 CA SER A 41 8.775 12.710 -15.405 1.00 0.00 C ATOM 728 C SER A 41 8.928 14.142 -15.910 1.00 0.00 C ATOM 729 O SER A 41 8.186 15.037 -15.505 1.00 0.00 O ATOM 730 CB SER A 41 7.898 11.908 -16.368 1.00 0.00 C ATOM 731 OG SER A 41 6.618 12.502 -16.507 1.00 0.00 O ATOM 0 H SER A 41 7.382 12.092 -13.964 1.00 0.00 H new ATOM 0 HA SER A 41 9.763 12.252 -15.358 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.383 11.849 -17.343 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.791 10.887 -16.003 1.00 0.00 H new ATOM 0 HG SER A 41 6.077 11.972 -17.129 1.00 0.00 H new ATOM 737 N SER A 42 9.896 14.350 -16.797 1.00 0.00 N ATOM 738 CA SER A 42 10.150 15.672 -17.355 1.00 0.00 C ATOM 739 C SER A 42 9.360 15.879 -18.644 1.00 0.00 C ATOM 740 O SER A 42 8.662 16.879 -18.804 1.00 0.00 O ATOM 741 CB SER A 42 11.645 15.857 -17.624 1.00 0.00 C ATOM 742 OG SER A 42 12.133 14.853 -18.497 1.00 0.00 O ATOM 0 H SER A 42 10.517 13.619 -17.144 1.00 0.00 H new ATOM 0 HA SER A 42 9.825 16.415 -16.627 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.820 16.840 -18.061 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.194 15.824 -16.683 1.00 0.00 H new ATOM 0 HG SER A 42 13.090 14.994 -18.655 1.00 0.00 H new ATOM 748 N GLY A 43 9.477 14.924 -19.562 1.00 0.00 N ATOM 749 CA GLY A 43 8.769 15.019 -20.825 1.00 0.00 C ATOM 750 C GLY A 43 8.195 13.688 -21.269 1.00 0.00 C ATOM 751 O GLY A 43 7.643 12.942 -20.460 1.00 0.00 O ATOM 0 H GLY A 43 10.049 14.087 -19.453 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.962 15.746 -20.732 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.448 15.392 -21.592 1.00 0.00 H new TER 755 GLY A 43