USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=10 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 168:sc= 0 (180deg=-0.17) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.0934 K(o=0.093,f=-1.3) USER MOD Single : A -1 SER OG : rot -54:sc= 0.0447 USER MOD Single : A -2 SER OG : rot 180:sc= -0.0695 USER MOD Single : A -4 SER OG : rot 16:sc= 0.886 USER MOD Single : A -5 SER OG : rot 43:sc= 1.09 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.9) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -121:sc= -0.937 (180deg=-1.17) USER MOD Single : A 34 GLN : amide:sc= -2.44 K(o=-2.4,f=-6.5!) USER MOD Single : A 38 SER OG : rot 48:sc= 0.282 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 21.609 0.397 11.549 1.00 0.00 N ATOM 2 CA GLY A -6 22.670 -0.061 10.672 1.00 0.00 C ATOM 3 C GLY A -6 22.146 -0.554 9.337 1.00 0.00 C ATOM 4 O GLY A -6 22.042 0.214 8.381 1.00 0.00 O ATOM 0 H1 GLY A -6 22.018 0.723 12.448 1.00 0.00 H new ATOM 0 H2 GLY A -6 21.098 1.181 11.096 1.00 0.00 H new ATOM 0 H3 GLY A -6 20.949 -0.385 11.733 1.00 0.00 H new ATOM 0 HA2 GLY A -6 23.375 0.753 10.504 1.00 0.00 H new ATOM 0 HA3 GLY A -6 23.221 -0.864 11.162 1.00 0.00 H new ATOM 8 N SER A -5 21.817 -1.840 9.271 1.00 0.00 N ATOM 9 CA SER A -5 21.306 -2.437 8.042 1.00 0.00 C ATOM 10 C SER A -5 19.838 -2.079 7.834 1.00 0.00 C ATOM 11 O SER A -5 18.945 -2.743 8.361 1.00 0.00 O ATOM 12 CB SER A -5 21.472 -3.957 8.081 1.00 0.00 C ATOM 13 OG SER A -5 20.718 -4.526 9.137 1.00 0.00 O ATOM 0 H SER A -5 21.895 -2.489 10.054 1.00 0.00 H new ATOM 0 HA SER A -5 21.881 -2.038 7.207 1.00 0.00 H new ATOM 0 HB2 SER A -5 21.153 -4.385 7.131 1.00 0.00 H new ATOM 0 HB3 SER A -5 22.525 -4.208 8.206 1.00 0.00 H new ATOM 0 HG SER A -5 19.832 -4.107 9.169 1.00 0.00 H new ATOM 19 N SER A -4 19.596 -1.025 7.062 1.00 0.00 N ATOM 20 CA SER A -4 18.236 -0.575 6.786 1.00 0.00 C ATOM 21 C SER A -4 18.193 0.282 5.525 1.00 0.00 C ATOM 22 O SER A -4 19.224 0.750 5.043 1.00 0.00 O ATOM 23 CB SER A -4 17.688 0.217 7.974 1.00 0.00 C ATOM 24 OG SER A -4 17.346 -0.643 9.047 1.00 0.00 O ATOM 0 H SER A -4 20.324 -0.466 6.616 1.00 0.00 H new ATOM 0 HA SER A -4 17.613 -1.455 6.627 1.00 0.00 H new ATOM 0 HB2 SER A -4 18.432 0.940 8.307 1.00 0.00 H new ATOM 0 HB3 SER A -4 16.810 0.783 7.664 1.00 0.00 H new ATOM 0 HG SER A -4 17.755 -1.522 8.905 1.00 0.00 H new ATOM 30 N GLY A -3 16.990 0.482 4.994 1.00 0.00 N ATOM 31 CA GLY A -3 16.833 1.282 3.793 1.00 0.00 C ATOM 32 C GLY A -3 17.189 0.515 2.535 1.00 0.00 C ATOM 33 O GLY A -3 18.182 -0.211 2.503 1.00 0.00 O ATOM 0 H GLY A -3 16.122 0.104 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A -3 15.802 1.629 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A -3 17.464 2.168 3.865 1.00 0.00 H new ATOM 37 N SER A -2 16.375 0.676 1.496 1.00 0.00 N ATOM 38 CA SER A -2 16.606 -0.012 0.231 1.00 0.00 C ATOM 39 C SER A -2 16.292 0.902 -0.949 1.00 0.00 C ATOM 40 O SER A -2 15.843 2.034 -0.769 1.00 0.00 O ATOM 41 CB SER A -2 15.752 -1.278 0.152 1.00 0.00 C ATOM 42 OG SER A -2 16.152 -2.096 -0.934 1.00 0.00 O ATOM 0 H SER A -2 15.550 1.276 1.505 1.00 0.00 H new ATOM 0 HA SER A -2 17.659 -0.289 0.183 1.00 0.00 H new ATOM 0 HB2 SER A -2 15.838 -1.837 1.084 1.00 0.00 H new ATOM 0 HB3 SER A -2 14.702 -1.006 0.039 1.00 0.00 H new ATOM 0 HG SER A -2 15.592 -2.900 -0.962 1.00 0.00 H new ATOM 48 N SER A -1 16.532 0.402 -2.157 1.00 0.00 N ATOM 49 CA SER A -1 16.280 1.174 -3.368 1.00 0.00 C ATOM 50 C SER A -1 15.438 0.373 -4.357 1.00 0.00 C ATOM 51 O SER A -1 15.687 0.396 -5.562 1.00 0.00 O ATOM 52 CB SER A -1 17.601 1.586 -4.021 1.00 0.00 C ATOM 53 OG SER A -1 17.412 2.669 -4.914 1.00 0.00 O ATOM 0 H SER A -1 16.901 -0.534 -2.323 1.00 0.00 H new ATOM 0 HA SER A -1 15.727 2.071 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A -1 18.319 1.867 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A -1 18.025 0.738 -4.558 1.00 0.00 H new ATOM 0 HG SER A -1 16.709 2.443 -5.558 1.00 0.00 H new ATOM 59 N GLY A 0 14.440 -0.335 -3.837 1.00 0.00 N ATOM 60 CA GLY A 0 13.577 -1.134 -4.687 1.00 0.00 C ATOM 61 C GLY A 0 12.308 -1.569 -3.980 1.00 0.00 C ATOM 62 O GLY A 0 12.280 -1.681 -2.755 1.00 0.00 O ATOM 0 H GLY A 0 14.214 -0.369 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 0 13.315 -0.560 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 0 14.121 -2.016 -5.026 1.00 0.00 H new ATOM 66 N MET A 1 11.255 -1.812 -4.753 1.00 0.00 N ATOM 67 CA MET A 1 9.977 -2.236 -4.193 1.00 0.00 C ATOM 68 C MET A 1 9.097 -2.870 -5.265 1.00 0.00 C ATOM 69 O MET A 1 8.748 -2.226 -6.255 1.00 0.00 O ATOM 70 CB MET A 1 9.254 -1.046 -3.559 1.00 0.00 C ATOM 71 CG MET A 1 8.058 -1.444 -2.710 1.00 0.00 C ATOM 72 SD MET A 1 8.529 -2.365 -1.234 1.00 0.00 S ATOM 73 CE MET A 1 9.211 -1.054 -0.221 1.00 0.00 C ATOM 0 H MET A 1 11.261 -1.723 -5.769 1.00 0.00 H new ATOM 0 HA MET A 1 10.175 -2.983 -3.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.959 -0.490 -2.941 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.921 -0.371 -4.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.512 -0.548 -2.415 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.377 -2.049 -3.309 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.350 -1.416 0.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.172 -0.741 -0.629 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.526 -0.206 -0.214 1.00 0.00 H new ATOM 83 N ASP A 2 8.741 -4.133 -5.061 1.00 0.00 N ATOM 84 CA ASP A 2 7.900 -4.853 -6.011 1.00 0.00 C ATOM 85 C ASP A 2 6.428 -4.748 -5.622 1.00 0.00 C ATOM 86 O ASP A 2 5.879 -5.645 -4.982 1.00 0.00 O ATOM 87 CB ASP A 2 8.318 -6.322 -6.083 1.00 0.00 C ATOM 88 CG ASP A 2 9.545 -6.534 -6.948 1.00 0.00 C ATOM 89 OD1 ASP A 2 9.401 -6.549 -8.188 1.00 0.00 O ATOM 90 OD2 ASP A 2 10.649 -6.682 -6.384 1.00 0.00 O ATOM 0 H ASP A 2 9.021 -4.680 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 2 8.031 -4.398 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.519 -6.689 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.492 -6.913 -6.479 1.00 0.00 H new ATOM 95 N VAL A 3 5.795 -3.646 -6.011 1.00 0.00 N ATOM 96 CA VAL A 3 4.388 -3.424 -5.703 1.00 0.00 C ATOM 97 C VAL A 3 3.540 -4.624 -6.110 1.00 0.00 C ATOM 98 O VAL A 3 2.588 -4.987 -5.419 1.00 0.00 O ATOM 99 CB VAL A 3 3.850 -2.166 -6.411 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.136 -2.230 -7.904 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.360 -2.005 -6.152 1.00 0.00 C ATOM 0 H VAL A 3 6.235 -2.893 -6.540 1.00 0.00 H new ATOM 0 HA VAL A 3 4.319 -3.283 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 3 4.362 -1.294 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.749 -1.333 -8.387 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.212 -2.294 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.652 -3.109 -8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.997 -1.111 -6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.829 -2.878 -6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.185 -1.910 -5.080 1.00 0.00 H new ATOM 111 N ARG A 4 3.892 -5.236 -7.235 1.00 0.00 N ATOM 112 CA ARG A 4 3.163 -6.396 -7.735 1.00 0.00 C ATOM 113 C ARG A 4 3.317 -7.583 -6.789 1.00 0.00 C ATOM 114 O ARG A 4 2.465 -8.472 -6.749 1.00 0.00 O ATOM 115 CB ARG A 4 3.660 -6.775 -9.131 1.00 0.00 C ATOM 116 CG ARG A 4 5.121 -7.195 -9.165 1.00 0.00 C ATOM 117 CD ARG A 4 5.752 -6.910 -10.519 1.00 0.00 C ATOM 118 NE ARG A 4 5.599 -8.033 -11.441 1.00 0.00 N ATOM 119 CZ ARG A 4 5.791 -7.938 -12.752 1.00 0.00 C ATOM 120 NH1 ARG A 4 6.142 -6.780 -13.292 1.00 0.00 N ATOM 121 NH2 ARG A 4 5.633 -9.005 -13.525 1.00 0.00 N ATOM 0 H ARG A 4 4.678 -4.948 -7.818 1.00 0.00 H new ATOM 0 HA ARG A 4 2.107 -6.133 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.047 -7.590 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.519 -5.926 -9.800 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.671 -6.665 -8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.200 -8.259 -8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.295 -6.020 -10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.812 -6.691 -10.386 1.00 0.00 H new ATOM 0 HE ARG A 4 5.330 -8.939 -11.057 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.266 -5.958 -12.701 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.289 -6.710 -14.299 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.364 -9.898 -13.113 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.780 -8.932 -14.532 1.00 0.00 H new ATOM 135 N ARG A 5 4.408 -7.592 -6.031 1.00 0.00 N ATOM 136 CA ARG A 5 4.674 -8.671 -5.087 1.00 0.00 C ATOM 137 C ARG A 5 4.241 -8.279 -3.677 1.00 0.00 C ATOM 138 O ARG A 5 4.815 -8.740 -2.689 1.00 0.00 O ATOM 139 CB ARG A 5 6.161 -9.029 -5.095 1.00 0.00 C ATOM 140 CG ARG A 5 6.655 -9.547 -6.435 1.00 0.00 C ATOM 141 CD ARG A 5 6.509 -11.057 -6.538 1.00 0.00 C ATOM 142 NE ARG A 5 6.362 -11.501 -7.921 1.00 0.00 N ATOM 143 CZ ARG A 5 5.239 -11.373 -8.619 1.00 0.00 C ATOM 144 NH1 ARG A 5 4.170 -10.818 -8.065 1.00 0.00 N ATOM 145 NH2 ARG A 5 5.184 -11.801 -9.874 1.00 0.00 N ATOM 0 H ARG A 5 5.122 -6.864 -6.052 1.00 0.00 H new ATOM 0 HA ARG A 5 4.096 -9.542 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.740 -8.147 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.348 -9.784 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.094 -9.071 -7.239 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.701 -9.272 -6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.382 -11.536 -6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.642 -11.377 -5.961 1.00 0.00 H new ATOM 0 HE ARG A 5 7.166 -11.933 -8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.209 -10.488 -7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.309 -10.721 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.004 -12.229 -10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.321 -11.702 -10.409 1.00 0.00 H new ATOM 159 N LEU A 6 3.228 -7.424 -3.591 1.00 0.00 N ATOM 160 CA LEU A 6 2.718 -6.969 -2.302 1.00 0.00 C ATOM 161 C LEU A 6 1.234 -7.289 -2.159 1.00 0.00 C ATOM 162 O LEU A 6 0.399 -6.754 -2.889 1.00 0.00 O ATOM 163 CB LEU A 6 2.944 -5.464 -2.145 1.00 0.00 C ATOM 164 CG LEU A 6 4.389 -5.024 -1.904 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.519 -3.516 -2.053 1.00 0.00 C ATOM 166 CD2 LEU A 6 4.860 -5.469 -0.527 1.00 0.00 C ATOM 0 H LEU A 6 2.743 -7.032 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 6 3.261 -7.496 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.579 -4.966 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.334 -5.110 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 6 5.023 -5.499 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.554 -3.221 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.223 -3.223 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.873 -3.022 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.890 -5.147 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.223 -5.024 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.805 -6.555 -0.457 1.00 0.00 H new ATOM 178 N LYS A 7 0.911 -8.164 -1.213 1.00 0.00 N ATOM 179 CA LYS A 7 -0.473 -8.554 -0.970 1.00 0.00 C ATOM 180 C LYS A 7 -1.371 -7.327 -0.854 1.00 0.00 C ATOM 181 O LYS A 7 -0.889 -6.199 -0.761 1.00 0.00 O ATOM 182 CB LYS A 7 -0.571 -9.395 0.305 1.00 0.00 C ATOM 183 CG LYS A 7 0.162 -10.722 0.217 1.00 0.00 C ATOM 184 CD LYS A 7 -0.419 -11.745 1.179 1.00 0.00 C ATOM 185 CE LYS A 7 -0.068 -11.415 2.622 1.00 0.00 C ATOM 186 NZ LYS A 7 -1.027 -12.031 3.581 1.00 0.00 N ATOM 0 H LYS A 7 1.590 -8.617 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.811 -9.150 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.168 -8.822 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.622 -9.584 0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.103 -11.105 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.218 -10.571 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.503 -11.779 1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.041 -12.737 0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.940 -11.767 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.064 -10.333 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.753 -11.783 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.986 -11.676 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.012 -13.065 3.471 1.00 0.00 H new ATOM 200 N VAL A 8 -2.681 -7.556 -0.859 1.00 0.00 N ATOM 201 CA VAL A 8 -3.647 -6.469 -0.752 1.00 0.00 C ATOM 202 C VAL A 8 -3.412 -5.648 0.511 1.00 0.00 C ATOM 203 O VAL A 8 -3.502 -4.422 0.492 1.00 0.00 O ATOM 204 CB VAL A 8 -5.092 -7.002 -0.743 1.00 0.00 C ATOM 205 CG1 VAL A 8 -5.429 -7.653 -2.076 1.00 0.00 C ATOM 206 CG2 VAL A 8 -5.292 -7.981 0.404 1.00 0.00 C ATOM 0 H VAL A 8 -3.097 -8.484 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.507 -5.833 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.770 -6.162 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.454 -8.024 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.328 -6.919 -2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.747 -8.484 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.319 -8.347 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.606 -8.820 0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.095 -7.478 1.351 1.00 0.00 H new ATOM 216 N ASN A 9 -3.111 -6.335 1.609 1.00 0.00 N ATOM 217 CA ASN A 9 -2.863 -5.669 2.883 1.00 0.00 C ATOM 218 C ASN A 9 -1.605 -4.809 2.811 1.00 0.00 C ATOM 219 O ASN A 9 -1.572 -3.695 3.332 1.00 0.00 O ATOM 220 CB ASN A 9 -2.726 -6.701 4.003 1.00 0.00 C ATOM 221 CG ASN A 9 -3.776 -7.791 3.917 1.00 0.00 C ATOM 222 OD1 ASN A 9 -3.633 -8.749 3.157 1.00 0.00 O ATOM 223 ND2 ASN A 9 -4.841 -7.650 4.699 1.00 0.00 N ATOM 0 H ASN A 9 -3.033 -7.351 1.642 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.713 -5.021 3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.734 -7.151 3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.805 -6.199 4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.581 -8.352 4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.919 -6.840 5.314 1.00 0.00 H new ATOM 230 N GLU A 10 -0.571 -5.335 2.162 1.00 0.00 N ATOM 231 CA GLU A 10 0.690 -4.615 2.023 1.00 0.00 C ATOM 232 C GLU A 10 0.497 -3.331 1.220 1.00 0.00 C ATOM 233 O GLU A 10 0.992 -2.269 1.599 1.00 0.00 O ATOM 234 CB GLU A 10 1.736 -5.502 1.344 1.00 0.00 C ATOM 235 CG GLU A 10 2.068 -6.760 2.128 1.00 0.00 C ATOM 236 CD GLU A 10 3.445 -7.305 1.802 1.00 0.00 C ATOM 237 OE1 GLU A 10 4.427 -6.846 2.424 1.00 0.00 O ATOM 238 OE2 GLU A 10 3.542 -8.188 0.925 1.00 0.00 O ATOM 0 H GLU A 10 -0.581 -6.256 1.724 1.00 0.00 H new ATOM 0 HA GLU A 10 1.041 -4.350 3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.374 -5.785 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.649 -4.925 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.010 -6.544 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.320 -7.524 1.916 1.00 0.00 H new ATOM 245 N LEU A 11 -0.224 -3.438 0.110 1.00 0.00 N ATOM 246 CA LEU A 11 -0.482 -2.286 -0.748 1.00 0.00 C ATOM 247 C LEU A 11 -1.241 -1.202 0.010 1.00 0.00 C ATOM 248 O LEU A 11 -0.939 -0.015 -0.115 1.00 0.00 O ATOM 249 CB LEU A 11 -1.277 -2.713 -1.983 1.00 0.00 C ATOM 250 CG LEU A 11 -0.579 -3.696 -2.924 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.594 -4.393 -3.815 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.468 -2.978 -3.764 1.00 0.00 C ATOM 0 H LEU A 11 -0.640 -4.310 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 11 0.478 -1.878 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.213 -3.162 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.536 -1.819 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.076 -4.452 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.079 -5.089 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.306 -4.940 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.126 -3.651 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.955 -3.693 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.013 -2.200 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.213 -2.526 -3.109 1.00 0.00 H new ATOM 264 N ARG A 12 -2.227 -1.618 0.799 1.00 0.00 N ATOM 265 CA ARG A 12 -3.029 -0.683 1.578 1.00 0.00 C ATOM 266 C ARG A 12 -2.159 0.086 2.568 1.00 0.00 C ATOM 267 O ARG A 12 -2.343 1.285 2.769 1.00 0.00 O ATOM 268 CB ARG A 12 -4.136 -1.428 2.327 1.00 0.00 C ATOM 269 CG ARG A 12 -5.334 -1.772 1.457 1.00 0.00 C ATOM 270 CD ARG A 12 -6.451 -2.403 2.273 1.00 0.00 C ATOM 271 NE ARG A 12 -7.350 -1.400 2.838 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.210 -1.652 3.818 1.00 0.00 C ATOM 273 NH1 ARG A 12 -8.288 -2.869 4.339 1.00 0.00 N ATOM 274 NH2 ARG A 12 -8.995 -0.687 4.279 1.00 0.00 N ATOM 0 H ARG A 12 -2.489 -2.597 0.915 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.482 0.030 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.725 -2.347 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.470 -0.817 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.703 -0.869 0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.027 -2.457 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.020 -3.085 1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.020 -2.998 3.078 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.315 -0.454 2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.687 -3.614 3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.949 -3.060 5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.939 0.250 3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.655 -0.882 5.032 1.00 0.00 H new ATOM 288 N GLU A 13 -1.211 -0.615 3.184 1.00 0.00 N ATOM 289 CA GLU A 13 -0.314 0.002 4.154 1.00 0.00 C ATOM 290 C GLU A 13 0.520 1.100 3.501 1.00 0.00 C ATOM 291 O GLU A 13 0.665 2.192 4.049 1.00 0.00 O ATOM 292 CB GLU A 13 0.605 -1.052 4.774 1.00 0.00 C ATOM 293 CG GLU A 13 -0.113 -2.016 5.703 1.00 0.00 C ATOM 294 CD GLU A 13 0.816 -3.059 6.294 1.00 0.00 C ATOM 295 OE1 GLU A 13 1.407 -2.790 7.360 1.00 0.00 O ATOM 296 OE2 GLU A 13 0.951 -4.143 5.689 1.00 0.00 O ATOM 0 H GLU A 13 -1.045 -1.609 3.028 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.922 0.450 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.084 -1.619 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.398 -0.550 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.583 -1.454 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.912 -2.515 5.155 1.00 0.00 H new ATOM 303 N GLU A 14 1.068 0.801 2.327 1.00 0.00 N ATOM 304 CA GLU A 14 1.889 1.762 1.601 1.00 0.00 C ATOM 305 C GLU A 14 1.046 2.933 1.104 1.00 0.00 C ATOM 306 O GLU A 14 1.464 4.089 1.177 1.00 0.00 O ATOM 307 CB GLU A 14 2.584 1.082 0.419 1.00 0.00 C ATOM 308 CG GLU A 14 3.522 -0.041 0.828 1.00 0.00 C ATOM 309 CD GLU A 14 4.669 -0.228 -0.146 1.00 0.00 C ATOM 310 OE1 GLU A 14 4.847 0.639 -1.026 1.00 0.00 O ATOM 311 OE2 GLU A 14 5.388 -1.242 -0.027 1.00 0.00 O ATOM 0 H GLU A 14 0.958 -0.099 1.859 1.00 0.00 H new ATOM 0 HA GLU A 14 2.645 2.146 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.827 0.684 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.148 1.830 -0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.923 0.169 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.958 -0.971 0.902 1.00 0.00 H new ATOM 318 N LEU A 15 -0.144 2.625 0.599 1.00 0.00 N ATOM 319 CA LEU A 15 -1.047 3.650 0.090 1.00 0.00 C ATOM 320 C LEU A 15 -1.506 4.578 1.210 1.00 0.00 C ATOM 321 O LEU A 15 -1.624 5.788 1.017 1.00 0.00 O ATOM 322 CB LEU A 15 -2.261 3.002 -0.580 1.00 0.00 C ATOM 323 CG LEU A 15 -2.013 2.369 -1.950 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.172 1.464 -2.337 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.800 3.446 -3.004 1.00 0.00 C ATOM 0 H LEU A 15 -0.505 1.674 0.531 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.505 4.242 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.652 2.234 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.039 3.758 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.109 1.763 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.978 1.022 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.278 0.672 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.091 2.048 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.625 2.978 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.686 4.079 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.937 4.054 -2.734 1.00 0.00 H new ATOM 337 N GLN A 16 -1.760 4.002 2.381 1.00 0.00 N ATOM 338 CA GLN A 16 -2.204 4.779 3.533 1.00 0.00 C ATOM 339 C GLN A 16 -1.144 5.794 3.946 1.00 0.00 C ATOM 340 O GLN A 16 -1.462 6.932 4.292 1.00 0.00 O ATOM 341 CB GLN A 16 -2.524 3.851 4.707 1.00 0.00 C ATOM 342 CG GLN A 16 -3.375 4.505 5.783 1.00 0.00 C ATOM 343 CD GLN A 16 -2.555 5.330 6.755 1.00 0.00 C ATOM 344 OE1 GLN A 16 -1.513 4.887 7.239 1.00 0.00 O ATOM 345 NE2 GLN A 16 -3.021 6.539 7.045 1.00 0.00 N ATOM 0 H GLN A 16 -1.666 3.002 2.557 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.107 5.320 3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.042 2.969 4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.591 3.507 5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.123 5.143 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.915 3.734 6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.889 6.866 6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.511 7.141 7.692 1.00 0.00 H new ATOM 354 N ARG A 17 0.117 5.375 3.908 1.00 0.00 N ATOM 355 CA ARG A 17 1.224 6.248 4.279 1.00 0.00 C ATOM 356 C ARG A 17 1.284 7.469 3.365 1.00 0.00 C ATOM 357 O ARG A 17 1.614 8.570 3.805 1.00 0.00 O ATOM 358 CB ARG A 17 2.547 5.484 4.216 1.00 0.00 C ATOM 359 CG ARG A 17 2.800 4.603 5.428 1.00 0.00 C ATOM 360 CD ARG A 17 4.107 3.836 5.297 1.00 0.00 C ATOM 361 NE ARG A 17 4.678 3.500 6.598 1.00 0.00 N ATOM 362 CZ ARG A 17 5.533 2.502 6.790 1.00 0.00 C ATOM 363 NH1 ARG A 17 5.914 1.746 5.770 1.00 0.00 N ATOM 364 NH2 ARG A 17 6.009 2.259 8.005 1.00 0.00 N ATOM 0 H ARG A 17 0.397 4.436 3.624 1.00 0.00 H new ATOM 0 HA ARG A 17 1.058 6.589 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.557 4.865 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.365 6.198 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.827 5.218 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.975 3.901 5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.935 2.921 4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.822 4.433 4.731 1.00 0.00 H new ATOM 0 HE ARG A 17 4.405 4.063 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.550 1.930 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.571 0.980 5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.718 2.839 8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.666 1.492 8.152 1.00 0.00 H new ATOM 378 N ARG A 18 0.964 7.264 2.092 1.00 0.00 N ATOM 379 CA ARG A 18 0.984 8.347 1.116 1.00 0.00 C ATOM 380 C ARG A 18 -0.358 9.073 1.082 1.00 0.00 C ATOM 381 O ARG A 18 -0.629 9.856 0.172 1.00 0.00 O ATOM 382 CB ARG A 18 1.317 7.803 -0.275 1.00 0.00 C ATOM 383 CG ARG A 18 2.672 7.118 -0.352 1.00 0.00 C ATOM 384 CD ARG A 18 3.190 7.069 -1.781 1.00 0.00 C ATOM 385 NE ARG A 18 3.925 8.279 -2.138 1.00 0.00 N ATOM 386 CZ ARG A 18 5.136 8.568 -1.674 1.00 0.00 C ATOM 387 NH1 ARG A 18 5.745 7.737 -0.839 1.00 0.00 N ATOM 388 NH2 ARG A 18 5.740 9.689 -2.046 1.00 0.00 N ATOM 0 H ARG A 18 0.688 6.359 1.712 1.00 0.00 H new ATOM 0 HA ARG A 18 1.755 9.057 1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.544 7.095 -0.574 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.293 8.623 -0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.386 7.649 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.592 6.105 0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.839 6.202 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.352 6.938 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 18 3.484 8.939 -2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.284 6.874 -0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.675 7.961 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.275 10.330 -2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.670 9.910 -1.689 1.00 0.00 H new ATOM 402 N GLY A 19 -1.195 8.806 2.080 1.00 0.00 N ATOM 403 CA GLY A 19 -2.498 9.441 2.145 1.00 0.00 C ATOM 404 C GLY A 19 -3.332 9.180 0.906 1.00 0.00 C ATOM 405 O GLY A 19 -4.231 9.957 0.579 1.00 0.00 O ATOM 0 H GLY A 19 -0.994 8.161 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.033 9.077 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.369 10.516 2.273 1.00 0.00 H new ATOM 409 N LEU A 20 -3.035 8.086 0.214 1.00 0.00 N ATOM 410 CA LEU A 20 -3.763 7.725 -0.997 1.00 0.00 C ATOM 411 C LEU A 20 -4.923 6.788 -0.676 1.00 0.00 C ATOM 412 O LEU A 20 -4.819 5.934 0.204 1.00 0.00 O ATOM 413 CB LEU A 20 -2.821 7.063 -2.004 1.00 0.00 C ATOM 414 CG LEU A 20 -1.635 7.908 -2.469 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.740 7.105 -3.400 1.00 0.00 C ATOM 416 CD2 LEU A 20 -2.120 9.177 -3.156 1.00 0.00 C ATOM 0 H LEU A 20 -2.295 7.433 0.471 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.168 8.638 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.436 6.144 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.402 6.775 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.052 8.193 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.099 7.723 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.364 6.227 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.312 6.789 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.262 9.766 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.727 8.913 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.719 9.762 -2.458 1.00 0.00 H new ATOM 428 N ASP A 21 -6.027 6.953 -1.397 1.00 0.00 N ATOM 429 CA ASP A 21 -7.206 6.119 -1.192 1.00 0.00 C ATOM 430 C ASP A 21 -6.828 4.642 -1.164 1.00 0.00 C ATOM 431 O ASP A 21 -6.009 4.183 -1.961 1.00 0.00 O ATOM 432 CB ASP A 21 -8.235 6.375 -2.294 1.00 0.00 C ATOM 433 CG ASP A 21 -9.650 6.064 -1.847 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.812 5.265 -0.901 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.597 6.620 -2.443 1.00 0.00 O ATOM 0 H ASP A 21 -6.130 7.656 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.644 6.381 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.177 7.418 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.990 5.767 -3.165 1.00 0.00 H new ATOM 440 N THR A 22 -7.430 3.899 -0.240 1.00 0.00 N ATOM 441 CA THR A 22 -7.156 2.474 -0.106 1.00 0.00 C ATOM 442 C THR A 22 -8.323 1.639 -0.619 1.00 0.00 C ATOM 443 O THR A 22 -8.634 0.584 -0.067 1.00 0.00 O ATOM 444 CB THR A 22 -6.871 2.092 1.359 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.961 2.502 2.193 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.583 2.737 1.846 1.00 0.00 C ATOM 0 H THR A 22 -8.111 4.262 0.427 1.00 0.00 H new ATOM 0 HA THR A 22 -6.271 2.265 -0.707 1.00 0.00 H new ATOM 0 HB THR A 22 -6.759 1.009 1.414 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.773 2.254 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.403 2.453 2.883 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.751 2.400 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.670 3.821 1.777 1.00 0.00 H new ATOM 454 N ARG A 23 -8.966 2.118 -1.680 1.00 0.00 N ATOM 455 CA ARG A 23 -10.100 1.415 -2.267 1.00 0.00 C ATOM 456 C ARG A 23 -9.735 0.840 -3.633 1.00 0.00 C ATOM 457 O ARG A 23 -8.714 1.202 -4.218 1.00 0.00 O ATOM 458 CB ARG A 23 -11.297 2.357 -2.402 1.00 0.00 C ATOM 459 CG ARG A 23 -11.838 2.849 -1.070 1.00 0.00 C ATOM 460 CD ARG A 23 -12.731 1.808 -0.412 1.00 0.00 C ATOM 461 NE ARG A 23 -13.690 2.413 0.509 1.00 0.00 N ATOM 462 CZ ARG A 23 -14.799 1.807 0.917 1.00 0.00 C ATOM 463 NH1 ARG A 23 -15.087 0.586 0.488 1.00 0.00 N ATOM 464 NH2 ARG A 23 -15.622 2.422 1.756 1.00 0.00 N ATOM 0 H ARG A 23 -8.721 2.989 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.367 0.592 -1.605 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.006 3.216 -3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.093 1.844 -2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.008 3.090 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.402 3.769 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.268 1.253 -1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.114 1.090 0.128 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.497 3.352 0.858 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.456 0.110 -0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.939 0.123 0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.403 3.361 2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.474 1.956 2.069 1.00 0.00 H new ATOM 478 N GLY A 24 -10.576 -0.058 -4.136 1.00 0.00 N ATOM 479 CA GLY A 24 -10.324 -0.669 -5.428 1.00 0.00 C ATOM 480 C GLY A 24 -9.704 -2.047 -5.307 1.00 0.00 C ATOM 481 O GLY A 24 -9.129 -2.389 -4.273 1.00 0.00 O ATOM 0 H GLY A 24 -11.428 -0.373 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.261 -0.743 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.662 -0.026 -6.008 1.00 0.00 H new ATOM 485 N LEU A 25 -9.820 -2.841 -6.365 1.00 0.00 N ATOM 486 CA LEU A 25 -9.267 -4.191 -6.373 1.00 0.00 C ATOM 487 C LEU A 25 -7.772 -4.169 -6.071 1.00 0.00 C ATOM 488 O LEU A 25 -7.166 -3.103 -5.962 1.00 0.00 O ATOM 489 CB LEU A 25 -9.516 -4.857 -7.728 1.00 0.00 C ATOM 490 CG LEU A 25 -10.979 -4.995 -8.150 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.102 -4.972 -9.666 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.579 -6.274 -7.584 1.00 0.00 C ATOM 0 H LEU A 25 -10.292 -2.574 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.767 -4.767 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.991 -4.285 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.069 -5.851 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.534 -4.148 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.150 -5.071 -9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.711 -4.029 -10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.533 -5.799 -10.090 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.621 -6.356 -7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.021 -7.133 -7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.526 -6.250 -6.496 1.00 0.00 H new ATOM 504 N LYS A 26 -7.183 -5.353 -5.939 1.00 0.00 N ATOM 505 CA LYS A 26 -5.758 -5.471 -5.653 1.00 0.00 C ATOM 506 C LYS A 26 -4.928 -4.795 -6.740 1.00 0.00 C ATOM 507 O LYS A 26 -4.082 -3.950 -6.451 1.00 0.00 O ATOM 508 CB LYS A 26 -5.362 -6.944 -5.535 1.00 0.00 C ATOM 509 CG LYS A 26 -3.912 -7.153 -5.131 1.00 0.00 C ATOM 510 CD LYS A 26 -3.357 -8.449 -5.698 1.00 0.00 C ATOM 511 CE LYS A 26 -1.860 -8.566 -5.457 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.552 -8.947 -4.051 1.00 0.00 N ATOM 0 H LYS A 26 -7.671 -6.245 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.559 -4.971 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.008 -7.428 -4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.539 -7.437 -6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.311 -6.314 -5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.835 -7.168 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.868 -9.296 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.559 -8.495 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.440 -9.309 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.380 -7.616 -5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.958 -8.214 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.438 -9.039 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.045 -9.855 -4.040 1.00 0.00 H new ATOM 526 N ALA A 27 -5.176 -5.174 -7.989 1.00 0.00 N ATOM 527 CA ALA A 27 -4.453 -4.602 -9.119 1.00 0.00 C ATOM 528 C ALA A 27 -4.554 -3.080 -9.121 1.00 0.00 C ATOM 529 O ALA A 27 -3.566 -2.385 -9.354 1.00 0.00 O ATOM 530 CB ALA A 27 -4.984 -5.169 -10.427 1.00 0.00 C ATOM 0 H ALA A 27 -5.872 -5.875 -8.244 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.401 -4.871 -9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.435 -4.733 -11.262 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.855 -6.251 -10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.043 -4.929 -10.524 1.00 0.00 H new ATOM 536 N GLU A 28 -5.754 -2.570 -8.860 1.00 0.00 N ATOM 537 CA GLU A 28 -5.982 -1.130 -8.834 1.00 0.00 C ATOM 538 C GLU A 28 -5.094 -0.458 -7.791 1.00 0.00 C ATOM 539 O GLU A 28 -4.503 0.592 -8.046 1.00 0.00 O ATOM 540 CB GLU A 28 -7.453 -0.830 -8.538 1.00 0.00 C ATOM 541 CG GLU A 28 -8.367 -1.028 -9.735 1.00 0.00 C ATOM 542 CD GLU A 28 -8.473 0.212 -10.600 1.00 0.00 C ATOM 543 OE1 GLU A 28 -9.291 1.097 -10.270 1.00 0.00 O ATOM 544 OE2 GLU A 28 -7.740 0.299 -11.607 1.00 0.00 O ATOM 0 H GLU A 28 -6.582 -3.132 -8.664 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.727 -0.729 -9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.790 -1.472 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.542 0.199 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.995 -1.856 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.361 -1.309 -9.386 1.00 0.00 H new ATOM 551 N LEU A 29 -5.006 -1.069 -6.615 1.00 0.00 N ATOM 552 CA LEU A 29 -4.191 -0.530 -5.532 1.00 0.00 C ATOM 553 C LEU A 29 -2.721 -0.464 -5.936 1.00 0.00 C ATOM 554 O LEU A 29 -2.005 0.464 -5.562 1.00 0.00 O ATOM 555 CB LEU A 29 -4.347 -1.387 -4.274 1.00 0.00 C ATOM 556 CG LEU A 29 -5.711 -1.326 -3.586 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.819 -2.404 -2.518 1.00 0.00 C ATOM 558 CD2 LEU A 29 -5.942 0.051 -2.981 1.00 0.00 C ATOM 0 H LEU A 29 -5.489 -1.938 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.537 0.482 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.141 -2.424 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.586 -1.084 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.482 -1.506 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.796 -2.345 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.699 -3.385 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.039 -2.255 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.918 0.076 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.165 0.260 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.909 0.804 -3.768 1.00 0.00 H new ATOM 570 N ALA A 30 -2.280 -1.455 -6.705 1.00 0.00 N ATOM 571 CA ALA A 30 -0.897 -1.507 -7.164 1.00 0.00 C ATOM 572 C ALA A 30 -0.575 -0.323 -8.070 1.00 0.00 C ATOM 573 O ALA A 30 0.463 0.320 -7.918 1.00 0.00 O ATOM 574 CB ALA A 30 -0.632 -2.817 -7.890 1.00 0.00 C ATOM 0 H ALA A 30 -2.860 -2.232 -7.023 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.247 -1.450 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.404 -2.843 -8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.814 -3.652 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.296 -2.897 -8.751 1.00 0.00 H new ATOM 580 N GLU A 31 -1.470 -0.043 -9.012 1.00 0.00 N ATOM 581 CA GLU A 31 -1.278 1.063 -9.942 1.00 0.00 C ATOM 582 C GLU A 31 -1.278 2.399 -9.206 1.00 0.00 C ATOM 583 O GLU A 31 -0.509 3.302 -9.537 1.00 0.00 O ATOM 584 CB GLU A 31 -2.374 1.056 -11.010 1.00 0.00 C ATOM 585 CG GLU A 31 -2.419 -0.223 -11.828 1.00 0.00 C ATOM 586 CD GLU A 31 -1.091 -0.542 -12.486 1.00 0.00 C ATOM 587 OE1 GLU A 31 -0.180 -1.024 -11.781 1.00 0.00 O ATOM 588 OE2 GLU A 31 -0.962 -0.309 -13.706 1.00 0.00 O ATOM 0 H GLU A 31 -2.334 -0.566 -9.151 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.309 0.934 -10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.340 1.203 -10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.221 1.901 -11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.709 -1.052 -11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.188 -0.132 -12.595 1.00 0.00 H new ATOM 595 N ARG A 32 -2.145 2.518 -8.207 1.00 0.00 N ATOM 596 CA ARG A 32 -2.247 3.744 -7.424 1.00 0.00 C ATOM 597 C ARG A 32 -0.949 4.016 -6.668 1.00 0.00 C ATOM 598 O ARG A 32 -0.434 5.134 -6.680 1.00 0.00 O ATOM 599 CB ARG A 32 -3.414 3.651 -6.440 1.00 0.00 C ATOM 600 CG ARG A 32 -3.776 4.980 -5.797 1.00 0.00 C ATOM 601 CD ARG A 32 -4.973 4.843 -4.870 1.00 0.00 C ATOM 602 NE ARG A 32 -5.642 6.122 -4.647 1.00 0.00 N ATOM 603 CZ ARG A 32 -6.273 6.798 -5.601 1.00 0.00 C ATOM 604 NH1 ARG A 32 -6.320 6.319 -6.836 1.00 0.00 N ATOM 605 NH2 ARG A 32 -6.858 7.955 -5.319 1.00 0.00 N ATOM 0 H ARG A 32 -2.788 1.780 -7.920 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.427 4.571 -8.112 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.287 3.259 -6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.162 2.935 -5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.922 5.359 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.998 5.712 -6.573 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.682 4.133 -5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.646 4.433 -3.914 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.624 6.518 -3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.871 5.430 -7.056 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.805 6.840 -7.567 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.823 8.326 -4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.342 8.474 -6.052 1.00 0.00 H new ATOM 619 N LEU A 33 -0.427 2.986 -6.011 1.00 0.00 N ATOM 620 CA LEU A 33 0.810 3.113 -5.249 1.00 0.00 C ATOM 621 C LEU A 33 1.989 3.411 -6.169 1.00 0.00 C ATOM 622 O LEU A 33 2.804 4.287 -5.884 1.00 0.00 O ATOM 623 CB LEU A 33 1.078 1.832 -4.457 1.00 0.00 C ATOM 624 CG LEU A 33 2.503 1.652 -3.932 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.808 2.679 -2.853 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.701 0.241 -3.400 1.00 0.00 C ATOM 0 H LEU A 33 -0.841 2.054 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 33 0.696 3.945 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.394 1.803 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.836 0.979 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 33 3.197 1.807 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.826 2.535 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.708 3.682 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.109 2.556 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.721 0.131 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.999 0.057 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.526 -0.478 -4.201 1.00 0.00 H new ATOM 638 N GLN A 34 2.070 2.677 -7.275 1.00 0.00 N ATOM 639 CA GLN A 34 3.149 2.864 -8.238 1.00 0.00 C ATOM 640 C GLN A 34 3.129 4.278 -8.809 1.00 0.00 C ATOM 641 O GLN A 34 4.175 4.899 -8.991 1.00 0.00 O ATOM 642 CB GLN A 34 3.034 1.842 -9.370 1.00 0.00 C ATOM 643 CG GLN A 34 4.329 1.635 -10.137 1.00 0.00 C ATOM 644 CD GLN A 34 5.347 0.827 -9.357 1.00 0.00 C ATOM 645 OE1 GLN A 34 5.493 0.993 -8.146 1.00 0.00 O ATOM 646 NE2 GLN A 34 6.059 -0.055 -10.049 1.00 0.00 N ATOM 0 H GLN A 34 1.402 1.948 -7.526 1.00 0.00 H new ATOM 0 HA GLN A 34 4.096 2.715 -7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.711 0.887 -8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.259 2.167 -10.064 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.113 1.129 -11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.757 2.605 -10.389 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.905 -0.160 -11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.759 -0.627 -9.578 1.00 0.00 H new ATOM 655 N ALA A 35 1.931 4.780 -9.091 1.00 0.00 N ATOM 656 CA ALA A 35 1.775 6.121 -9.640 1.00 0.00 C ATOM 657 C ALA A 35 2.409 7.166 -8.728 1.00 0.00 C ATOM 658 O ALA A 35 3.045 8.108 -9.196 1.00 0.00 O ATOM 659 CB ALA A 35 0.302 6.433 -9.860 1.00 0.00 C ATOM 0 H ALA A 35 1.055 4.278 -8.948 1.00 0.00 H new ATOM 0 HA ALA A 35 2.290 6.156 -10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.200 7.438 -10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.123 5.711 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.228 6.374 -8.910 1.00 0.00 H new ATOM 665 N ALA A 36 2.229 6.991 -7.422 1.00 0.00 N ATOM 666 CA ALA A 36 2.784 7.918 -6.444 1.00 0.00 C ATOM 667 C ALA A 36 4.302 7.788 -6.364 1.00 0.00 C ATOM 668 O ALA A 36 5.020 8.788 -6.318 1.00 0.00 O ATOM 669 CB ALA A 36 2.159 7.681 -5.078 1.00 0.00 C ATOM 0 H ALA A 36 1.703 6.216 -7.018 1.00 0.00 H new ATOM 0 HA ALA A 36 2.549 8.932 -6.767 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.583 8.380 -4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.081 7.832 -5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.364 6.660 -4.756 1.00 0.00 H new ATOM 675 N LEU A 37 4.784 6.550 -6.348 1.00 0.00 N ATOM 676 CA LEU A 37 6.217 6.289 -6.272 1.00 0.00 C ATOM 677 C LEU A 37 6.945 6.895 -7.468 1.00 0.00 C ATOM 678 O LEU A 37 7.954 7.583 -7.310 1.00 0.00 O ATOM 679 CB LEU A 37 6.479 4.783 -6.212 1.00 0.00 C ATOM 680 CG LEU A 37 5.984 4.066 -4.955 1.00 0.00 C ATOM 681 CD1 LEU A 37 6.041 2.558 -5.143 1.00 0.00 C ATOM 682 CD2 LEU A 37 6.806 4.485 -3.744 1.00 0.00 C ATOM 0 H LEU A 37 4.204 5.712 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 37 6.598 6.755 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.011 4.318 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.553 4.617 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 37 4.946 4.351 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.685 2.065 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.410 2.272 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.069 2.255 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.440 3.965 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.853 4.229 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.714 5.561 -3.597 1.00 0.00 H new ATOM 694 N SER A 38 6.425 6.637 -8.664 1.00 0.00 N ATOM 695 CA SER A 38 7.026 7.155 -9.887 1.00 0.00 C ATOM 696 C SER A 38 8.474 6.695 -10.018 1.00 0.00 C ATOM 697 O SER A 38 9.351 7.467 -10.405 1.00 0.00 O ATOM 698 CB SER A 38 6.962 8.684 -9.903 1.00 0.00 C ATOM 699 OG SER A 38 5.682 9.136 -10.311 1.00 0.00 O ATOM 0 H SER A 38 5.589 6.072 -8.812 1.00 0.00 H new ATOM 0 HA SER A 38 6.461 6.765 -10.734 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.188 9.071 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.722 9.076 -10.579 1.00 0.00 H new ATOM 0 HG SER A 38 4.990 8.655 -9.810 1.00 0.00 H new ATOM 705 N GLY A 39 8.718 5.429 -9.693 1.00 0.00 N ATOM 706 CA GLY A 39 10.061 4.885 -9.781 1.00 0.00 C ATOM 707 C GLY A 39 10.237 3.965 -10.972 1.00 0.00 C ATOM 708 O GLY A 39 10.529 4.404 -12.085 1.00 0.00 O ATOM 0 H GLY A 39 8.009 4.770 -9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.777 5.704 -9.849 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.289 4.338 -8.866 1.00 0.00 H new ATOM 712 N PRO A 40 10.060 2.655 -10.744 1.00 0.00 N ATOM 713 CA PRO A 40 10.198 1.643 -11.796 1.00 0.00 C ATOM 714 C PRO A 40 9.072 1.717 -12.822 1.00 0.00 C ATOM 715 O PRO A 40 7.914 1.940 -12.472 1.00 0.00 O ATOM 716 CB PRO A 40 10.133 0.321 -11.027 1.00 0.00 C ATOM 717 CG PRO A 40 9.366 0.639 -9.790 1.00 0.00 C ATOM 718 CD PRO A 40 9.711 2.061 -9.443 1.00 0.00 C ATOM 0 HA PRO A 40 11.115 1.774 -12.370 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.637 -0.453 -11.612 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.131 -0.049 -10.790 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.295 0.527 -9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.636 -0.037 -8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.870 2.576 -8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.544 2.113 -8.741 1.00 0.00 H new ATOM 726 N SER A 41 9.422 1.528 -14.091 1.00 0.00 N ATOM 727 CA SER A 41 8.441 1.577 -15.169 1.00 0.00 C ATOM 728 C SER A 41 7.590 2.839 -15.073 1.00 0.00 C ATOM 729 O SER A 41 6.372 2.795 -15.244 1.00 0.00 O ATOM 730 CB SER A 41 7.543 0.339 -15.127 1.00 0.00 C ATOM 731 OG SER A 41 8.197 -0.785 -15.692 1.00 0.00 O ATOM 0 H SER A 41 10.377 1.340 -14.397 1.00 0.00 H new ATOM 0 HA SER A 41 8.980 1.594 -16.116 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.266 0.122 -14.095 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.619 0.537 -15.670 1.00 0.00 H new ATOM 0 HG SER A 41 7.603 -1.563 -15.652 1.00 0.00 H new ATOM 737 N SER A 42 8.242 3.965 -14.798 1.00 0.00 N ATOM 738 CA SER A 42 7.546 5.240 -14.675 1.00 0.00 C ATOM 739 C SER A 42 6.606 5.463 -15.856 1.00 0.00 C ATOM 740 O SER A 42 6.826 4.938 -16.946 1.00 0.00 O ATOM 741 CB SER A 42 8.553 6.389 -14.587 1.00 0.00 C ATOM 742 OG SER A 42 7.894 7.637 -14.468 1.00 0.00 O ATOM 0 H SER A 42 9.251 4.020 -14.656 1.00 0.00 H new ATOM 0 HA SER A 42 6.953 5.214 -13.761 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.208 6.237 -13.729 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.185 6.391 -15.475 1.00 0.00 H new ATOM 0 HG SER A 42 8.559 8.354 -14.412 1.00 0.00 H new ATOM 748 N GLY A 43 5.555 6.246 -15.629 1.00 0.00 N ATOM 749 CA GLY A 43 4.597 6.525 -16.682 1.00 0.00 C ATOM 750 C GLY A 43 5.096 7.571 -17.659 1.00 0.00 C ATOM 751 O GLY A 43 6.294 7.843 -17.728 1.00 0.00 O ATOM 0 H GLY A 43 5.351 6.692 -14.735 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.377 5.604 -17.222 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.662 6.865 -16.237 1.00 0.00 H new TER 755 GLY A 43