USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 599 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 41 SER OG : rot 180:sc= 0.0749 USER MOD Set 1.2: A 43 SER OG : rot -45:sc= 0.079 USER MOD Set 2.1: A 31 LYS NZ :NH3+ -150:sc= -0.022 (180deg=0) USER MOD Set 2.2: A 64 HIS : no HE2:sc= -3.86! C(o=-4.7!,f=-5.6!) USER MOD Set 2.3: A 68 MET CE :methyl 179:sc= -0.781 (180deg=-0.731) USER MOD Set 3.1: A 17 THR OG1 : rot -11:sc= 0.719 USER MOD Set 3.2: A 19 GLN : amide:sc= -0.104 X(o=0.62,f=0.26) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.0732 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -173:sc= -2.75 (180deg=-2.96) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.352 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc=-0.00428 X(o=-0.0043,f=-0.14) USER MOD Single : A 39 LYS NZ :NH3+ -121:sc= -0.025 (180deg=-0.416) USER MOD Single : A 44 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.1) USER MOD Single : A 45 GLN : amide:sc=-0.00455 K(o=-0.0046,f=-0.94) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 51 TYR OH : rot 127:sc= -1.72 USER MOD Single : A 52 GLN : amide:sc= -3.06 K(o=-3.1,f=-5.6!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 66 ASN : amide:sc= -0.0742 X(o=-0.074,f=-0.074) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.830 -0.791 5.744 1.00 31.33 N ATOM 2 CA ALA A 1 7.902 -0.525 4.652 1.00 63.31 C ATOM 3 C ALA A 1 7.970 0.935 4.217 1.00 22.32 C ATOM 4 O ALA A 1 8.436 1.794 4.964 1.00 15.15 O ATOM 5 CB ALA A 1 6.484 -0.890 5.064 1.00 74.04 C ATOM 0 H1 ALA A 1 9.601 -1.401 5.404 1.00 31.33 H new ATOM 0 H2 ALA A 1 9.226 0.106 6.090 1.00 31.33 H new ATOM 0 H3 ALA A 1 8.327 -1.269 6.519 1.00 31.33 H new ATOM 0 HA ALA A 1 8.192 -1.143 3.803 1.00 63.31 H new ATOM 0 HB1 ALA A 1 5.802 -0.686 4.239 1.00 74.04 H new ATOM 0 HB2 ALA A 1 6.440 -1.949 5.318 1.00 74.04 H new ATOM 0 HB3 ALA A 1 6.193 -0.297 5.931 1.00 74.04 H new ATOM 11 N GLY A 2 7.503 1.208 3.003 1.00 43.34 N ATOM 12 CA GLY A 2 7.521 2.566 2.489 1.00 22.43 C ATOM 13 C GLY A 2 7.124 2.638 1.028 1.00 13.34 C ATOM 14 O GLY A 2 6.571 3.642 0.577 1.00 34.21 O ATOM 0 H GLY A 2 7.112 0.514 2.366 1.00 43.34 H new ATOM 0 HA2 GLY A 2 6.842 3.183 3.078 1.00 22.43 H new ATOM 0 HA3 GLY A 2 8.520 2.985 2.612 1.00 22.43 H new ATOM 18 N HIS A 3 7.407 1.573 0.286 1.00 71.22 N ATOM 19 CA HIS A 3 7.076 1.520 -1.134 1.00 0.42 C ATOM 20 C HIS A 3 7.738 2.670 -1.889 1.00 34.54 C ATOM 21 O HIS A 3 7.250 3.101 -2.933 1.00 13.13 O ATOM 22 CB HIS A 3 5.560 1.573 -1.328 1.00 64.10 C ATOM 23 CG HIS A 3 4.894 0.237 -1.203 1.00 51.42 C ATOM 24 ND1 HIS A 3 5.100 -0.793 -2.096 1.00 54.24 N ATOM 25 CD2 HIS A 3 4.022 -0.234 -0.281 1.00 63.33 C ATOM 26 CE1 HIS A 3 4.382 -1.840 -1.730 1.00 40.24 C ATOM 27 NE2 HIS A 3 3.719 -1.527 -0.631 1.00 64.24 N ATOM 0 H HIS A 3 7.865 0.735 0.644 1.00 71.22 H new ATOM 0 HA HIS A 3 7.453 0.580 -1.535 1.00 0.42 H new ATOM 0 HB2 HIS A 3 5.131 2.254 -0.593 1.00 64.10 H new ATOM 0 HB3 HIS A 3 5.342 1.988 -2.312 1.00 64.10 H new ATOM 0 HD2 HIS A 3 3.636 0.306 0.571 1.00 63.33 H new ATOM 0 HE1 HIS A 3 4.344 -2.790 -2.242 1.00 40.24 H new ATOM 0 HE2 HIS A 3 3.085 -2.145 -0.125 1.00 64.24 H new ATOM 35 N MET A 4 8.850 3.161 -1.352 1.00 61.54 N ATOM 36 CA MET A 4 9.578 4.259 -1.976 1.00 42.42 C ATOM 37 C MET A 4 8.672 5.471 -2.171 1.00 30.12 C ATOM 38 O MET A 4 8.867 6.260 -3.095 1.00 1.25 O ATOM 39 CB MET A 4 10.155 3.818 -3.323 1.00 21.14 C ATOM 40 CG MET A 4 10.976 2.541 -3.243 1.00 3.23 C ATOM 41 SD MET A 4 12.360 2.676 -2.095 1.00 3.31 S ATOM 42 CE MET A 4 12.224 1.122 -1.216 1.00 31.14 C ATOM 0 H MET A 4 9.266 2.816 -0.487 1.00 61.54 H new ATOM 0 HA MET A 4 10.396 4.541 -1.313 1.00 42.42 H new ATOM 0 HB2 MET A 4 9.337 3.671 -4.029 1.00 21.14 H new ATOM 0 HB3 MET A 4 10.780 4.618 -3.721 1.00 21.14 H new ATOM 0 HG2 MET A 4 10.332 1.718 -2.934 1.00 3.23 H new ATOM 0 HG3 MET A 4 11.354 2.294 -4.235 1.00 3.23 H new ATOM 0 HE1 MET A 4 13.015 1.056 -0.468 1.00 31.14 H new ATOM 0 HE2 MET A 4 11.253 1.066 -0.723 1.00 31.14 H new ATOM 0 HE3 MET A 4 12.321 0.296 -1.920 1.00 31.14 H new ATOM 52 N GLN A 5 7.682 5.610 -1.295 1.00 51.51 N ATOM 53 CA GLN A 5 6.746 6.726 -1.373 1.00 32.33 C ATOM 54 C GLN A 5 7.352 7.988 -0.769 1.00 10.21 C ATOM 55 O GLN A 5 6.869 9.095 -1.007 1.00 71.53 O ATOM 56 CB GLN A 5 5.443 6.376 -0.652 1.00 13.33 C ATOM 57 CG GLN A 5 4.574 5.386 -1.411 1.00 22.04 C ATOM 58 CD GLN A 5 3.406 4.882 -0.586 1.00 3.23 C ATOM 59 OE1 GLN A 5 3.437 4.923 0.645 1.00 61.44 O ATOM 60 NE2 GLN A 5 2.367 4.404 -1.260 1.00 64.13 N ATOM 0 H GLN A 5 7.507 4.965 -0.524 1.00 51.51 H new ATOM 0 HA GLN A 5 6.532 6.916 -2.425 1.00 32.33 H new ATOM 0 HB2 GLN A 5 5.680 5.962 0.328 1.00 13.33 H new ATOM 0 HB3 GLN A 5 4.874 7.290 -0.483 1.00 13.33 H new ATOM 0 HG2 GLN A 5 4.196 5.860 -2.317 1.00 22.04 H new ATOM 0 HG3 GLN A 5 5.184 4.539 -1.725 1.00 22.04 H new ATOM 0 HE21 GLN A 5 2.384 4.389 -2.280 1.00 64.13 H new ATOM 0 HE22 GLN A 5 1.552 4.052 -0.758 1.00 64.13 H new ATOM 69 N GLU A 6 8.412 7.814 0.014 1.00 63.12 N ATOM 70 CA GLU A 6 9.083 8.940 0.652 1.00 10.33 C ATOM 71 C GLU A 6 9.798 9.805 -0.382 1.00 12.31 C ATOM 72 O GLU A 6 10.396 9.294 -1.328 1.00 33.41 O ATOM 73 CB GLU A 6 10.085 8.441 1.696 1.00 54.22 C ATOM 74 CG GLU A 6 11.294 7.745 1.095 1.00 73.45 C ATOM 75 CD GLU A 6 12.264 7.247 2.148 1.00 2.11 C ATOM 76 OE1 GLU A 6 11.800 6.736 3.189 1.00 45.32 O ATOM 77 OE2 GLU A 6 13.488 7.369 1.931 1.00 21.20 O ATOM 0 H GLU A 6 8.824 6.904 0.222 1.00 63.12 H new ATOM 0 HA GLU A 6 8.325 9.547 1.147 1.00 10.33 H new ATOM 0 HB2 GLU A 6 10.424 9.286 2.295 1.00 54.22 H new ATOM 0 HB3 GLU A 6 9.579 7.752 2.373 1.00 54.22 H new ATOM 0 HG2 GLU A 6 10.960 6.904 0.488 1.00 73.45 H new ATOM 0 HG3 GLU A 6 11.811 8.435 0.427 1.00 73.45 H new ATOM 84 N ALA A 7 9.730 11.119 -0.194 1.00 3.21 N ATOM 85 CA ALA A 7 10.372 12.056 -1.109 1.00 35.45 C ATOM 86 C ALA A 7 11.439 12.878 -0.394 1.00 34.42 C ATOM 87 O ALA A 7 11.324 13.160 0.799 1.00 54.20 O ATOM 88 CB ALA A 7 9.333 12.971 -1.741 1.00 22.43 C ATOM 0 H ALA A 7 9.237 11.559 0.583 1.00 3.21 H new ATOM 0 HA ALA A 7 10.861 11.481 -1.895 1.00 35.45 H new ATOM 0 HB1 ALA A 7 9.826 13.665 -2.422 1.00 22.43 H new ATOM 0 HB2 ALA A 7 8.609 12.372 -2.294 1.00 22.43 H new ATOM 0 HB3 ALA A 7 8.819 13.532 -0.960 1.00 22.43 H new ATOM 94 N VAL A 8 12.478 13.259 -1.130 1.00 73.52 N ATOM 95 CA VAL A 8 13.566 14.049 -0.566 1.00 74.35 C ATOM 96 C VAL A 8 13.746 15.357 -1.328 1.00 11.45 C ATOM 97 O VAL A 8 13.589 15.405 -2.548 1.00 12.44 O ATOM 98 CB VAL A 8 14.894 13.269 -0.586 1.00 11.24 C ATOM 99 CG1 VAL A 8 15.953 13.999 0.225 1.00 5.44 C ATOM 100 CG2 VAL A 8 14.689 11.856 -0.061 1.00 63.03 C ATOM 0 H VAL A 8 12.589 13.033 -2.118 1.00 73.52 H new ATOM 0 HA VAL A 8 13.297 14.267 0.467 1.00 74.35 H new ATOM 0 HB VAL A 8 15.242 13.202 -1.617 1.00 11.24 H new ATOM 0 HG11 VAL A 8 16.885 13.434 0.200 1.00 5.44 H new ATOM 0 HG12 VAL A 8 16.118 14.989 -0.200 1.00 5.44 H new ATOM 0 HG13 VAL A 8 15.617 14.098 1.257 1.00 5.44 H new ATOM 0 HG21 VAL A 8 15.637 11.319 -0.082 1.00 63.03 H new ATOM 0 HG22 VAL A 8 14.319 11.899 0.963 1.00 63.03 H new ATOM 0 HG23 VAL A 8 13.964 11.337 -0.688 1.00 63.03 H new ATOM 110 N VAL A 9 14.077 16.419 -0.599 1.00 25.42 N ATOM 111 CA VAL A 9 14.281 17.729 -1.205 1.00 62.20 C ATOM 112 C VAL A 9 15.671 18.270 -0.890 1.00 0.25 C ATOM 113 O VAL A 9 16.147 18.169 0.241 1.00 2.14 O ATOM 114 CB VAL A 9 13.226 18.741 -0.721 1.00 50.24 C ATOM 115 CG1 VAL A 9 13.313 20.029 -1.527 1.00 34.24 C ATOM 116 CG2 VAL A 9 11.831 18.140 -0.810 1.00 64.13 C ATOM 0 H VAL A 9 14.209 16.397 0.412 1.00 25.42 H new ATOM 0 HA VAL A 9 14.181 17.599 -2.283 1.00 62.20 H new ATOM 0 HB VAL A 9 13.428 18.979 0.323 1.00 50.24 H new ATOM 0 HG11 VAL A 9 12.560 20.732 -1.171 1.00 34.24 H new ATOM 0 HG12 VAL A 9 14.304 20.467 -1.407 1.00 34.24 H new ATOM 0 HG13 VAL A 9 13.137 19.812 -2.581 1.00 34.24 H new ATOM 0 HG21 VAL A 9 11.098 18.869 -0.464 1.00 64.13 H new ATOM 0 HG22 VAL A 9 11.616 17.872 -1.844 1.00 64.13 H new ATOM 0 HG23 VAL A 9 11.779 17.248 -0.185 1.00 64.13 H new ATOM 126 N LYS A 10 16.318 18.846 -1.897 1.00 2.22 N ATOM 127 CA LYS A 10 17.654 19.406 -1.728 1.00 52.43 C ATOM 128 C LYS A 10 17.614 20.931 -1.774 1.00 23.42 C ATOM 129 O LYS A 10 17.018 21.520 -2.676 1.00 71.43 O ATOM 130 CB LYS A 10 18.592 18.877 -2.815 1.00 41.33 C ATOM 131 CG LYS A 10 17.982 18.894 -4.206 1.00 71.51 C ATOM 132 CD LYS A 10 17.280 17.583 -4.523 1.00 2.44 C ATOM 133 CE LYS A 10 18.212 16.607 -5.225 1.00 11.45 C ATOM 134 NZ LYS A 10 17.591 15.263 -5.382 1.00 13.20 N ATOM 0 H LYS A 10 15.939 18.937 -2.839 1.00 2.22 H new ATOM 0 HA LYS A 10 18.029 19.099 -0.752 1.00 52.43 H new ATOM 0 HB2 LYS A 10 19.503 19.475 -2.820 1.00 41.33 H new ATOM 0 HB3 LYS A 10 18.882 17.856 -2.567 1.00 41.33 H new ATOM 0 HG2 LYS A 10 17.271 19.716 -4.282 1.00 71.51 H new ATOM 0 HG3 LYS A 10 18.762 19.078 -4.944 1.00 71.51 H new ATOM 0 HD2 LYS A 10 16.910 17.135 -3.601 1.00 2.44 H new ATOM 0 HD3 LYS A 10 16.412 17.777 -5.154 1.00 2.44 H new ATOM 0 HE2 LYS A 10 18.478 17.001 -6.206 1.00 11.45 H new ATOM 0 HE3 LYS A 10 19.137 16.515 -4.656 1.00 11.45 H new ATOM 0 HZ1 LYS A 10 18.257 14.627 -5.865 1.00 13.20 H new ATOM 0 HZ2 LYS A 10 17.360 14.876 -4.445 1.00 13.20 H new ATOM 0 HZ3 LYS A 10 16.721 15.346 -5.946 1.00 13.20 H new ATOM 148 N LEU A 11 18.254 21.564 -0.797 1.00 33.34 N ATOM 149 CA LEU A 11 18.293 23.020 -0.726 1.00 40.30 C ATOM 150 C LEU A 11 19.731 23.524 -0.664 1.00 25.22 C ATOM 151 O LEU A 11 20.656 22.758 -0.391 1.00 43.34 O ATOM 152 CB LEU A 11 17.515 23.513 0.496 1.00 61.44 C ATOM 153 CG LEU A 11 15.996 23.351 0.434 1.00 52.14 C ATOM 154 CD1 LEU A 11 15.598 21.917 0.748 1.00 1.34 C ATOM 155 CD2 LEU A 11 15.317 24.318 1.393 1.00 21.32 C ATOM 0 H LEU A 11 18.753 21.092 -0.043 1.00 33.34 H new ATOM 0 HA LEU A 11 17.827 23.415 -1.629 1.00 40.30 H new ATOM 0 HB2 LEU A 11 17.882 22.981 1.374 1.00 61.44 H new ATOM 0 HB3 LEU A 11 17.742 24.569 0.645 1.00 61.44 H new ATOM 0 HG LEU A 11 15.666 23.584 -0.579 1.00 52.14 H new ATOM 0 HD11 LEU A 11 14.513 21.821 0.699 1.00 1.34 H new ATOM 0 HD12 LEU A 11 16.055 21.245 0.021 1.00 1.34 H new ATOM 0 HD13 LEU A 11 15.940 21.655 1.749 1.00 1.34 H new ATOM 0 HD21 LEU A 11 14.236 24.189 1.336 1.00 21.32 H new ATOM 0 HD22 LEU A 11 15.653 24.117 2.410 1.00 21.32 H new ATOM 0 HD23 LEU A 11 15.575 25.342 1.121 1.00 21.32 H new ATOM 167 N ARG A 12 19.912 24.816 -0.916 1.00 40.12 N ATOM 168 CA ARG A 12 21.238 25.422 -0.888 1.00 13.11 C ATOM 169 C ARG A 12 21.444 26.218 0.398 1.00 65.24 C ATOM 170 O ARG A 12 20.706 27.161 0.682 1.00 44.22 O ATOM 171 CB ARG A 12 21.431 26.334 -2.101 1.00 61.42 C ATOM 172 CG ARG A 12 22.784 26.172 -2.775 1.00 71.10 C ATOM 173 CD ARG A 12 22.751 25.082 -3.836 1.00 3.54 C ATOM 174 NE ARG A 12 23.688 25.350 -4.924 1.00 31.33 N ATOM 175 CZ ARG A 12 23.434 26.188 -5.923 1.00 23.24 C ATOM 176 NH1 ARG A 12 22.279 26.837 -5.970 1.00 43.15 N ATOM 177 NH2 ARG A 12 24.337 26.378 -6.876 1.00 43.20 N ATOM 0 H ARG A 12 19.157 25.464 -1.142 1.00 40.12 H new ATOM 0 HA ARG A 12 21.977 24.622 -0.923 1.00 13.11 H new ATOM 0 HB2 ARG A 12 20.645 26.129 -2.828 1.00 61.42 H new ATOM 0 HB3 ARG A 12 21.312 27.371 -1.788 1.00 61.42 H new ATOM 0 HG2 ARG A 12 23.080 27.117 -3.231 1.00 71.10 H new ATOM 0 HG3 ARG A 12 23.538 25.930 -2.026 1.00 71.10 H new ATOM 0 HD2 ARG A 12 22.992 24.123 -3.378 1.00 3.54 H new ATOM 0 HD3 ARG A 12 21.742 24.998 -4.239 1.00 3.54 H new ATOM 0 HE ARG A 12 24.587 24.867 -4.916 1.00 31.33 H new ATOM 0 HH11 ARG A 12 21.583 26.693 -5.238 1.00 43.15 H new ATOM 0 HH12 ARG A 12 22.086 27.480 -6.738 1.00 43.15 H new ATOM 0 HH21 ARG A 12 25.227 25.881 -6.842 1.00 43.20 H new ATOM 0 HH22 ARG A 12 24.141 27.022 -7.643 1.00 43.20 H new ATOM 191 N VAL A 13 22.453 25.830 1.172 1.00 42.13 N ATOM 192 CA VAL A 13 22.758 26.507 2.427 1.00 52.04 C ATOM 193 C VAL A 13 23.779 27.619 2.217 1.00 2.23 C ATOM 194 O VAL A 13 24.906 27.368 1.791 1.00 31.24 O ATOM 195 CB VAL A 13 23.297 25.521 3.480 1.00 63.14 C ATOM 196 CG1 VAL A 13 23.101 26.077 4.882 1.00 65.11 C ATOM 197 CG2 VAL A 13 22.622 24.166 3.335 1.00 33.44 C ATOM 0 H VAL A 13 23.073 25.050 0.952 1.00 42.13 H new ATOM 0 HA VAL A 13 21.825 26.939 2.789 1.00 52.04 H new ATOM 0 HB VAL A 13 24.366 25.388 3.315 1.00 63.14 H new ATOM 0 HG11 VAL A 13 23.488 25.367 5.613 1.00 65.11 H new ATOM 0 HG12 VAL A 13 23.636 27.022 4.977 1.00 65.11 H new ATOM 0 HG13 VAL A 13 22.039 26.241 5.063 1.00 65.11 H new ATOM 0 HG21 VAL A 13 23.015 23.482 4.087 1.00 33.44 H new ATOM 0 HG22 VAL A 13 21.547 24.279 3.473 1.00 33.44 H new ATOM 0 HG23 VAL A 13 22.820 23.765 2.341 1.00 33.44 H new ATOM 207 N GLU A 14 23.377 28.850 2.520 1.00 30.53 N ATOM 208 CA GLU A 14 24.258 30.001 2.365 1.00 63.33 C ATOM 209 C GLU A 14 24.721 30.520 3.723 1.00 33.52 C ATOM 210 O GLU A 14 25.538 31.436 3.805 1.00 72.42 O ATOM 211 CB GLU A 14 23.546 31.116 1.596 1.00 65.21 C ATOM 212 CG GLU A 14 24.011 31.255 0.156 1.00 2.00 C ATOM 213 CD GLU A 14 24.088 29.922 -0.563 1.00 44.55 C ATOM 214 OE1 GLU A 14 23.040 29.257 -0.696 1.00 1.24 O ATOM 215 OE2 GLU A 14 25.198 29.545 -0.995 1.00 3.43 O ATOM 0 H GLU A 14 22.447 29.075 2.874 1.00 30.53 H new ATOM 0 HA GLU A 14 25.134 29.682 1.800 1.00 63.33 H new ATOM 0 HB2 GLU A 14 22.473 30.925 1.606 1.00 65.21 H new ATOM 0 HB3 GLU A 14 23.706 32.062 2.113 1.00 65.21 H new ATOM 0 HG2 GLU A 14 23.328 31.914 -0.380 1.00 2.00 H new ATOM 0 HG3 GLU A 14 24.992 31.730 0.139 1.00 2.00 H new ATOM 222 N GLY A 15 24.190 29.926 4.789 1.00 44.34 N ATOM 223 CA GLY A 15 24.559 30.342 6.129 1.00 23.43 C ATOM 224 C GLY A 15 25.556 29.400 6.774 1.00 24.53 C ATOM 225 O GLY A 15 26.111 29.701 7.831 1.00 71.31 O ATOM 0 H GLY A 15 23.512 29.165 4.748 1.00 44.34 H new ATOM 0 HA2 GLY A 15 24.984 31.345 6.091 1.00 23.43 H new ATOM 0 HA3 GLY A 15 23.664 30.398 6.748 1.00 23.43 H new ATOM 229 N MET A 16 25.784 28.255 6.138 1.00 12.02 N ATOM 230 CA MET A 16 26.721 27.266 6.658 1.00 72.44 C ATOM 231 C MET A 16 28.095 27.887 6.889 1.00 73.34 C ATOM 232 O MET A 16 28.853 27.439 7.749 1.00 4.44 O ATOM 233 CB MET A 16 26.838 26.086 5.691 1.00 74.32 C ATOM 234 CG MET A 16 27.706 26.378 4.478 1.00 72.33 C ATOM 235 SD MET A 16 27.111 25.560 2.985 1.00 62.50 S ATOM 236 CE MET A 16 26.640 23.960 3.640 1.00 3.41 C ATOM 0 H MET A 16 25.333 27.990 5.262 1.00 12.02 H new ATOM 0 HA MET A 16 26.339 26.907 7.614 1.00 72.44 H new ATOM 0 HB2 MET A 16 27.250 25.229 6.224 1.00 74.32 H new ATOM 0 HB3 MET A 16 25.841 25.803 5.354 1.00 74.32 H new ATOM 0 HG2 MET A 16 27.738 27.454 4.310 1.00 72.33 H new ATOM 0 HG3 MET A 16 28.728 26.057 4.681 1.00 72.33 H new ATOM 0 HE1 MET A 16 26.369 23.296 2.819 1.00 3.41 H new ATOM 0 HE2 MET A 16 27.477 23.532 4.191 1.00 3.41 H new ATOM 0 HE3 MET A 16 25.787 24.077 4.309 1.00 3.41 H new ATOM 246 N THR A 17 28.410 28.920 6.114 1.00 11.43 N ATOM 247 CA THR A 17 29.693 29.602 6.234 1.00 73.34 C ATOM 248 C THR A 17 30.845 28.604 6.257 1.00 20.01 C ATOM 249 O THR A 17 31.806 28.769 7.009 1.00 3.11 O ATOM 250 CB THR A 17 29.753 30.468 7.506 1.00 34.20 C ATOM 251 OG1 THR A 17 29.886 29.632 8.661 1.00 4.54 O ATOM 252 CG2 THR A 17 28.503 31.326 7.636 1.00 20.40 C ATOM 0 H THR A 17 27.794 29.303 5.396 1.00 11.43 H new ATOM 0 HA THR A 17 29.791 30.247 5.361 1.00 73.34 H new ATOM 0 HB THR A 17 30.619 31.125 7.431 1.00 34.20 H new ATOM 0 HG1 THR A 17 29.739 28.697 8.407 1.00 4.54 H new ATOM 0 HG21 THR A 17 28.568 31.929 8.542 1.00 20.40 H new ATOM 0 HG22 THR A 17 28.420 31.981 6.769 1.00 20.40 H new ATOM 0 HG23 THR A 17 27.624 30.683 7.690 1.00 20.40 H new ATOM 260 N CYS A 18 30.743 27.570 5.430 1.00 73.13 N ATOM 261 CA CYS A 18 31.778 26.545 5.356 1.00 74.52 C ATOM 262 C CYS A 18 32.160 26.056 6.749 1.00 11.53 C ATOM 263 O CYS A 18 33.188 26.455 7.296 1.00 51.11 O ATOM 264 CB CYS A 18 33.013 27.088 4.636 1.00 74.02 C ATOM 265 SG CYS A 18 32.716 27.561 2.916 1.00 21.20 S ATOM 0 H CYS A 18 29.954 27.419 4.801 1.00 73.13 H new ATOM 0 HA CYS A 18 31.379 25.702 4.792 1.00 74.52 H new ATOM 0 HB2 CYS A 18 33.386 27.955 5.181 1.00 74.02 H new ATOM 0 HB3 CYS A 18 33.798 26.332 4.663 1.00 74.02 H new ATOM 0 HG CYS A 18 33.818 28.010 2.393 1.00 21.20 H new ATOM 271 N GLN A 19 31.325 25.193 7.318 1.00 13.10 N ATOM 272 CA GLN A 19 31.575 24.653 8.649 1.00 34.01 C ATOM 273 C GLN A 19 31.027 23.235 8.773 1.00 65.23 C ATOM 274 O GLN A 19 30.391 22.722 7.852 1.00 12.23 O ATOM 275 CB GLN A 19 30.942 25.551 9.714 1.00 63.11 C ATOM 276 CG GLN A 19 31.902 25.946 10.825 1.00 40.14 C ATOM 277 CD GLN A 19 33.037 26.822 10.331 1.00 14.13 C ATOM 278 OE1 GLN A 19 32.811 27.842 9.679 1.00 74.32 O ATOM 279 NE2 GLN A 19 34.266 26.429 10.641 1.00 25.31 N ATOM 0 H GLN A 19 30.470 24.853 6.878 1.00 13.10 H new ATOM 0 HA GLN A 19 32.653 24.622 8.804 1.00 34.01 H new ATOM 0 HB2 GLN A 19 30.561 26.454 9.237 1.00 63.11 H new ATOM 0 HB3 GLN A 19 30.086 25.036 10.150 1.00 63.11 H new ATOM 0 HG2 GLN A 19 31.353 26.475 11.604 1.00 40.14 H new ATOM 0 HG3 GLN A 19 32.315 25.046 11.281 1.00 40.14 H new ATOM 0 HE21 GLN A 19 34.407 25.577 11.183 1.00 25.31 H new ATOM 0 HE22 GLN A 19 35.069 26.979 10.337 1.00 25.31 H new ATOM 288 N SER A 20 31.280 22.606 9.916 1.00 63.30 N ATOM 289 CA SER A 20 30.817 21.245 10.158 1.00 35.43 C ATOM 290 C SER A 20 29.500 21.248 10.929 1.00 54.54 C ATOM 291 O SER A 20 29.237 20.356 11.735 1.00 30.42 O ATOM 292 CB SER A 20 31.872 20.454 10.934 1.00 11.22 C ATOM 293 OG SER A 20 33.020 20.218 10.138 1.00 73.45 O ATOM 0 H SER A 20 31.803 23.017 10.689 1.00 63.30 H new ATOM 0 HA SER A 20 30.653 20.767 9.192 1.00 35.43 H new ATOM 0 HB2 SER A 20 32.155 21.003 11.832 1.00 11.22 H new ATOM 0 HB3 SER A 20 31.451 19.503 11.261 1.00 11.22 H new ATOM 0 HG SER A 20 33.680 19.712 10.657 1.00 73.45 H new ATOM 299 N CYS A 21 28.676 22.259 10.674 1.00 72.11 N ATOM 300 CA CYS A 21 27.386 22.381 11.343 1.00 34.14 C ATOM 301 C CYS A 21 26.481 21.202 11.000 1.00 63.30 C ATOM 302 O CYS A 21 25.477 20.960 11.670 1.00 61.00 O ATOM 303 CB CYS A 21 26.705 23.693 10.949 1.00 23.35 C ATOM 304 SG CYS A 21 27.620 25.174 11.437 1.00 12.25 S ATOM 0 H CYS A 21 28.879 23.005 10.009 1.00 72.11 H new ATOM 0 HA CYS A 21 27.562 22.380 12.419 1.00 34.14 H new ATOM 0 HB2 CYS A 21 26.563 23.706 9.868 1.00 23.35 H new ATOM 0 HB3 CYS A 21 25.714 23.726 11.401 1.00 23.35 H new ATOM 0 HG CYS A 21 26.966 26.232 11.059 1.00 12.25 H new ATOM 310 N VAL A 22 26.843 20.471 9.950 1.00 3.02 N ATOM 311 CA VAL A 22 26.065 19.317 9.517 1.00 55.12 C ATOM 312 C VAL A 22 25.722 18.412 10.694 1.00 34.25 C ATOM 313 O VAL A 22 24.585 17.959 10.832 1.00 3.04 O ATOM 314 CB VAL A 22 26.821 18.496 8.455 1.00 11.15 C ATOM 315 CG1 VAL A 22 26.037 17.245 8.089 1.00 12.31 C ATOM 316 CG2 VAL A 22 27.095 19.344 7.222 1.00 31.24 C ATOM 0 H VAL A 22 27.670 20.658 9.384 1.00 3.02 H new ATOM 0 HA VAL A 22 25.144 19.703 9.079 1.00 55.12 H new ATOM 0 HB VAL A 22 27.778 18.186 8.874 1.00 11.15 H new ATOM 0 HG11 VAL A 22 26.587 16.678 7.338 1.00 12.31 H new ATOM 0 HG12 VAL A 22 25.898 16.630 8.978 1.00 12.31 H new ATOM 0 HG13 VAL A 22 25.064 17.530 7.689 1.00 12.31 H new ATOM 0 HG21 VAL A 22 27.630 18.748 6.482 1.00 31.24 H new ATOM 0 HG22 VAL A 22 26.151 19.686 6.799 1.00 31.24 H new ATOM 0 HG23 VAL A 22 27.701 20.206 7.501 1.00 31.24 H new ATOM 326 N SER A 23 26.712 18.152 11.542 1.00 11.12 N ATOM 327 CA SER A 23 26.516 17.298 12.708 1.00 63.35 C ATOM 328 C SER A 23 25.464 17.886 13.642 1.00 1.54 C ATOM 329 O SER A 23 24.669 17.159 14.237 1.00 25.34 O ATOM 330 CB SER A 23 27.836 17.113 13.459 1.00 44.45 C ATOM 331 OG SER A 23 28.316 15.786 13.329 1.00 14.14 O ATOM 0 H SER A 23 27.658 18.520 11.444 1.00 11.12 H new ATOM 0 HA SER A 23 26.165 16.326 12.361 1.00 63.35 H new ATOM 0 HB2 SER A 23 28.579 17.811 13.072 1.00 44.45 H new ATOM 0 HB3 SER A 23 27.694 17.350 14.513 1.00 44.45 H new ATOM 0 HG SER A 23 29.161 15.695 13.816 1.00 14.14 H new ATOM 337 N SER A 24 25.466 19.210 13.766 1.00 30.14 N ATOM 338 CA SER A 24 24.515 19.898 14.631 1.00 32.14 C ATOM 339 C SER A 24 23.096 19.774 14.085 1.00 34.13 C ATOM 340 O SER A 24 22.148 19.540 14.836 1.00 2.24 O ATOM 341 CB SER A 24 24.893 21.374 14.769 1.00 63.20 C ATOM 342 OG SER A 24 23.741 22.199 14.759 1.00 22.24 O ATOM 0 H SER A 24 26.116 19.827 13.278 1.00 30.14 H new ATOM 0 HA SER A 24 24.550 19.428 15.614 1.00 32.14 H new ATOM 0 HB2 SER A 24 25.445 21.526 15.697 1.00 63.20 H new ATOM 0 HB3 SER A 24 25.556 21.661 13.953 1.00 63.20 H new ATOM 0 HG SER A 24 24.010 23.137 14.850 1.00 22.24 H new ATOM 348 N ILE A 25 22.957 19.932 12.773 1.00 5.23 N ATOM 349 CA ILE A 25 21.655 19.837 12.126 1.00 40.11 C ATOM 350 C ILE A 25 21.098 18.420 12.216 1.00 3.33 C ATOM 351 O ILE A 25 19.888 18.224 12.317 1.00 13.40 O ATOM 352 CB ILE A 25 21.731 20.253 10.645 1.00 52.30 C ATOM 353 CG1 ILE A 25 22.421 21.612 10.509 1.00 0.02 C ATOM 354 CG2 ILE A 25 20.338 20.298 10.035 1.00 34.44 C ATOM 355 CD1 ILE A 25 22.639 22.038 9.074 1.00 3.23 C ATOM 0 H ILE A 25 23.731 20.126 12.137 1.00 5.23 H new ATOM 0 HA ILE A 25 20.990 20.521 12.654 1.00 40.11 H new ATOM 0 HB ILE A 25 22.320 19.511 10.105 1.00 52.30 H new ATOM 0 HG12 ILE A 25 21.821 22.367 11.017 1.00 0.02 H new ATOM 0 HG13 ILE A 25 23.384 21.574 11.019 1.00 0.02 H new ATOM 0 HG21 ILE A 25 20.409 20.594 8.988 1.00 34.44 H new ATOM 0 HG22 ILE A 25 19.879 19.312 10.103 1.00 34.44 H new ATOM 0 HG23 ILE A 25 19.727 21.021 10.576 1.00 34.44 H new ATOM 0 HD11 ILE A 25 23.132 23.010 9.054 1.00 3.23 H new ATOM 0 HD12 ILE A 25 23.264 21.303 8.567 1.00 3.23 H new ATOM 0 HD13 ILE A 25 21.678 22.109 8.565 1.00 3.23 H new ATOM 367 N GLU A 26 21.991 17.436 12.181 1.00 2.03 N ATOM 368 CA GLU A 26 21.588 16.037 12.260 1.00 23.14 C ATOM 369 C GLU A 26 20.698 15.795 13.476 1.00 23.12 C ATOM 370 O GLU A 26 19.731 15.038 13.410 1.00 54.10 O ATOM 371 CB GLU A 26 22.820 15.131 12.328 1.00 11.40 C ATOM 372 CG GLU A 26 22.829 14.036 11.275 1.00 54.21 C ATOM 373 CD GLU A 26 22.315 12.712 11.806 1.00 24.12 C ATOM 374 OE1 GLU A 26 23.018 12.090 12.629 1.00 23.34 O ATOM 375 OE2 GLU A 26 21.210 12.298 11.398 1.00 12.22 O ATOM 0 H GLU A 26 22.997 17.582 12.099 1.00 2.03 H new ATOM 0 HA GLU A 26 21.019 15.798 11.361 1.00 23.14 H new ATOM 0 HB2 GLU A 26 23.716 15.741 12.213 1.00 11.40 H new ATOM 0 HB3 GLU A 26 22.870 14.674 13.316 1.00 11.40 H new ATOM 0 HG2 GLU A 26 22.216 14.346 10.428 1.00 54.21 H new ATOM 0 HG3 GLU A 26 23.845 13.904 10.902 1.00 54.21 H new ATOM 382 N GLY A 27 21.034 16.444 14.587 1.00 23.10 N ATOM 383 CA GLY A 27 20.257 16.286 15.802 1.00 10.13 C ATOM 384 C GLY A 27 18.846 16.823 15.662 1.00 24.11 C ATOM 385 O GLY A 27 17.908 16.288 16.254 1.00 5.31 O ATOM 0 H GLY A 27 21.830 17.076 14.667 1.00 23.10 H new ATOM 0 HA2 GLY A 27 20.216 15.230 16.068 1.00 10.13 H new ATOM 0 HA3 GLY A 27 20.759 16.802 16.620 1.00 10.13 H new ATOM 389 N LYS A 28 18.694 17.885 14.878 1.00 63.43 N ATOM 390 CA LYS A 28 17.388 18.496 14.661 1.00 23.40 C ATOM 391 C LYS A 28 16.434 17.515 13.988 1.00 74.30 C ATOM 392 O LYS A 28 15.272 17.396 14.378 1.00 1.44 O ATOM 393 CB LYS A 28 17.528 19.757 13.805 1.00 20.51 C ATOM 394 CG LYS A 28 18.182 20.917 14.535 1.00 55.54 C ATOM 395 CD LYS A 28 17.323 21.404 15.690 1.00 3.02 C ATOM 396 CE LYS A 28 18.092 21.382 17.003 1.00 55.22 C ATOM 397 NZ LYS A 28 17.257 21.856 18.142 1.00 62.32 N ATOM 0 H LYS A 28 19.460 18.341 14.382 1.00 63.43 H new ATOM 0 HA LYS A 28 16.976 18.768 15.633 1.00 23.40 H new ATOM 0 HB2 LYS A 28 18.114 19.520 12.917 1.00 20.51 H new ATOM 0 HB3 LYS A 28 16.540 20.065 13.462 1.00 20.51 H new ATOM 0 HG2 LYS A 28 19.157 20.608 14.911 1.00 55.54 H new ATOM 0 HG3 LYS A 28 18.354 21.737 13.837 1.00 55.54 H new ATOM 0 HD2 LYS A 28 16.978 22.417 15.486 1.00 3.02 H new ATOM 0 HD3 LYS A 28 16.436 20.776 15.776 1.00 3.02 H new ATOM 0 HE2 LYS A 28 18.439 20.368 17.204 1.00 55.22 H new ATOM 0 HE3 LYS A 28 18.978 22.011 16.916 1.00 55.22 H new ATOM 0 HZ1 LYS A 28 17.816 21.826 19.018 1.00 62.32 H new ATOM 0 HZ2 LYS A 28 16.947 22.832 17.962 1.00 62.32 H new ATOM 0 HZ3 LYS A 28 16.424 21.241 18.242 1.00 62.32 H new ATOM 411 N VAL A 29 16.931 16.812 12.975 1.00 22.03 N ATOM 412 CA VAL A 29 16.123 15.839 12.250 1.00 40.23 C ATOM 413 C VAL A 29 15.618 14.741 13.179 1.00 2.54 C ATOM 414 O VAL A 29 14.551 14.168 12.958 1.00 43.40 O ATOM 415 CB VAL A 29 16.918 15.196 11.098 1.00 25.13 C ATOM 416 CG1 VAL A 29 17.484 13.850 11.526 1.00 2.43 C ATOM 417 CG2 VAL A 29 16.042 15.047 9.864 1.00 71.20 C ATOM 0 H VAL A 29 17.890 16.898 12.638 1.00 22.03 H new ATOM 0 HA VAL A 29 15.272 16.381 11.837 1.00 40.23 H new ATOM 0 HB VAL A 29 17.752 15.851 10.846 1.00 25.13 H new ATOM 0 HG11 VAL A 29 18.042 13.411 10.699 1.00 2.43 H new ATOM 0 HG12 VAL A 29 18.148 13.989 12.379 1.00 2.43 H new ATOM 0 HG13 VAL A 29 16.668 13.185 11.807 1.00 2.43 H new ATOM 0 HG21 VAL A 29 16.620 14.591 9.060 1.00 71.20 H new ATOM 0 HG22 VAL A 29 15.186 14.414 10.100 1.00 71.20 H new ATOM 0 HG23 VAL A 29 15.691 16.029 9.546 1.00 71.20 H new ATOM 427 N ARG A 30 16.392 14.454 14.221 1.00 32.21 N ATOM 428 CA ARG A 30 16.023 13.424 15.185 1.00 64.21 C ATOM 429 C ARG A 30 14.769 13.825 15.956 1.00 23.43 C ATOM 430 O ARG A 30 14.066 12.976 16.505 1.00 64.53 O ATOM 431 CB ARG A 30 17.176 13.172 16.159 1.00 35.52 C ATOM 432 CG ARG A 30 17.239 11.741 16.670 1.00 11.53 C ATOM 433 CD ARG A 30 18.674 11.297 16.905 1.00 10.05 C ATOM 434 NE ARG A 30 18.752 9.902 17.331 1.00 62.05 N ATOM 435 CZ ARG A 30 19.815 9.374 17.928 1.00 12.31 C ATOM 436 NH1 ARG A 30 20.883 10.122 18.170 1.00 32.21 N ATOM 437 NH2 ARG A 30 19.810 8.096 18.285 1.00 2.43 N ATOM 0 H ARG A 30 17.278 14.920 14.419 1.00 32.21 H new ATOM 0 HA ARG A 30 15.812 12.506 14.636 1.00 64.21 H new ATOM 0 HB2 ARG A 30 18.117 13.415 15.666 1.00 35.52 H new ATOM 0 HB3 ARG A 30 17.078 13.848 17.008 1.00 35.52 H new ATOM 0 HG2 ARG A 30 16.675 11.660 17.599 1.00 11.53 H new ATOM 0 HG3 ARG A 30 16.764 11.075 15.950 1.00 11.53 H new ATOM 0 HD2 ARG A 30 19.249 11.429 15.988 1.00 10.05 H new ATOM 0 HD3 ARG A 30 19.131 11.934 17.663 1.00 10.05 H new ATOM 0 HE ARG A 30 17.946 9.300 17.161 1.00 62.05 H new ATOM 0 HH11 ARG A 30 20.890 11.105 17.898 1.00 32.21 H new ATOM 0 HH12 ARG A 30 21.698 9.714 18.628 1.00 32.21 H new ATOM 0 HH21 ARG A 30 18.990 7.518 18.101 1.00 2.43 H new ATOM 0 HH22 ARG A 30 20.626 7.691 18.743 1.00 2.43 H new ATOM 451 N LYS A 31 14.495 15.124 15.995 1.00 51.10 N ATOM 452 CA LYS A 31 13.326 15.639 16.698 1.00 51.11 C ATOM 453 C LYS A 31 12.127 15.739 15.760 1.00 42.01 C ATOM 454 O LYS A 31 10.985 15.860 16.206 1.00 63.51 O ATOM 455 CB LYS A 31 13.631 17.012 17.300 1.00 4.43 C ATOM 456 CG LYS A 31 13.120 18.171 16.463 1.00 54.53 C ATOM 457 CD LYS A 31 11.706 18.564 16.859 1.00 41.23 C ATOM 458 CE LYS A 31 10.858 18.895 15.641 1.00 75.15 C ATOM 459 NZ LYS A 31 9.614 19.626 16.012 1.00 24.44 N ATOM 0 H LYS A 31 15.067 15.840 15.548 1.00 51.10 H new ATOM 0 HA LYS A 31 13.081 14.943 17.500 1.00 51.11 H new ATOM 0 HB2 LYS A 31 13.188 17.070 18.294 1.00 4.43 H new ATOM 0 HB3 LYS A 31 14.709 17.113 17.425 1.00 4.43 H new ATOM 0 HG2 LYS A 31 13.784 19.027 16.582 1.00 54.53 H new ATOM 0 HG3 LYS A 31 13.140 17.896 15.408 1.00 54.53 H new ATOM 0 HD2 LYS A 31 11.243 17.749 17.415 1.00 41.23 H new ATOM 0 HD3 LYS A 31 11.740 19.426 17.525 1.00 41.23 H new ATOM 0 HE2 LYS A 31 11.441 19.500 14.946 1.00 75.15 H new ATOM 0 HE3 LYS A 31 10.596 17.974 15.120 1.00 75.15 H new ATOM 0 HZ1 LYS A 31 8.863 19.401 15.329 1.00 24.44 H new ATOM 0 HZ2 LYS A 31 9.313 19.338 16.965 1.00 24.44 H new ATOM 0 HZ3 LYS A 31 9.797 20.650 16.001 1.00 24.44 H new ATOM 473 N LEU A 32 12.394 15.687 14.460 1.00 75.15 N ATOM 474 CA LEU A 32 11.336 15.770 13.458 1.00 20.11 C ATOM 475 C LEU A 32 10.564 14.457 13.371 1.00 11.33 C ATOM 476 O LEU A 32 11.153 13.377 13.402 1.00 40.34 O ATOM 477 CB LEU A 32 11.927 16.118 12.091 1.00 44.20 C ATOM 478 CG LEU A 32 11.922 17.600 11.715 1.00 4.54 C ATOM 479 CD1 LEU A 32 10.503 18.147 11.718 1.00 62.15 C ATOM 480 CD2 LEU A 32 12.803 18.395 12.669 1.00 42.15 C ATOM 0 H LEU A 32 13.333 15.588 14.075 1.00 75.15 H new ATOM 0 HA LEU A 32 10.645 16.557 13.760 1.00 20.11 H new ATOM 0 HB2 LEU A 32 12.956 15.760 12.060 1.00 44.20 H new ATOM 0 HB3 LEU A 32 11.375 15.568 11.328 1.00 44.20 H new ATOM 0 HG LEU A 32 12.326 17.701 10.708 1.00 4.54 H new ATOM 0 HD11 LEU A 32 10.520 19.203 11.448 1.00 62.15 H new ATOM 0 HD12 LEU A 32 9.900 17.597 10.996 1.00 62.15 H new ATOM 0 HD13 LEU A 32 10.071 18.033 12.712 1.00 62.15 H new ATOM 0 HD21 LEU A 32 12.788 19.448 12.387 1.00 42.15 H new ATOM 0 HD22 LEU A 32 12.428 18.287 13.687 1.00 42.15 H new ATOM 0 HD23 LEU A 32 13.825 18.020 12.618 1.00 42.15 H new ATOM 492 N GLN A 33 9.243 14.560 13.261 1.00 24.33 N ATOM 493 CA GLN A 33 8.391 13.380 13.168 1.00 3.15 C ATOM 494 C GLN A 33 8.315 12.875 11.731 1.00 11.53 C ATOM 495 O GLN A 33 8.918 11.860 11.386 1.00 3.42 O ATOM 496 CB GLN A 33 6.987 13.697 13.685 1.00 1.35 C ATOM 497 CG GLN A 33 6.032 12.517 13.616 1.00 21.52 C ATOM 498 CD GLN A 33 6.395 11.414 14.592 1.00 51.51 C ATOM 499 OE1 GLN A 33 7.262 10.585 14.315 1.00 4.43 O ATOM 500 NE2 GLN A 33 5.731 11.399 15.742 1.00 43.41 N ATOM 0 H GLN A 33 8.740 15.447 13.234 1.00 24.33 H new ATOM 0 HA GLN A 33 8.830 12.597 13.786 1.00 3.15 H new ATOM 0 HB2 GLN A 33 7.058 14.036 14.718 1.00 1.35 H new ATOM 0 HB3 GLN A 33 6.573 14.523 13.106 1.00 1.35 H new ATOM 0 HG2 GLN A 33 5.019 12.862 13.824 1.00 21.52 H new ATOM 0 HG3 GLN A 33 6.030 12.115 12.603 1.00 21.52 H new ATOM 0 HE21 GLN A 33 5.020 12.106 15.930 1.00 43.41 H new ATOM 0 HE22 GLN A 33 5.932 10.680 16.438 1.00 43.41 H new ATOM 509 N GLY A 34 7.568 13.592 10.896 1.00 31.15 N ATOM 510 CA GLY A 34 7.426 13.201 9.506 1.00 30.42 C ATOM 511 C GLY A 34 8.761 12.929 8.841 1.00 33.01 C ATOM 512 O GLY A 34 9.002 11.830 8.342 1.00 74.31 O ATOM 0 H GLY A 34 7.059 14.436 11.158 1.00 31.15 H new ATOM 0 HA2 GLY A 34 6.804 12.308 9.445 1.00 30.42 H new ATOM 0 HA3 GLY A 34 6.906 13.989 8.961 1.00 30.42 H new ATOM 516 N VAL A 35 9.631 13.934 8.832 1.00 21.42 N ATOM 517 CA VAL A 35 10.949 13.798 8.223 1.00 53.33 C ATOM 518 C VAL A 35 11.624 12.502 8.656 1.00 1.12 C ATOM 519 O VAL A 35 11.538 12.103 9.817 1.00 21.35 O ATOM 520 CB VAL A 35 11.860 14.986 8.586 1.00 31.33 C ATOM 521 CG1 VAL A 35 12.937 14.551 9.568 1.00 2.13 C ATOM 522 CG2 VAL A 35 12.480 15.584 7.333 1.00 53.43 C ATOM 0 H VAL A 35 9.447 14.851 9.239 1.00 21.42 H new ATOM 0 HA VAL A 35 10.799 13.782 7.144 1.00 53.33 H new ATOM 0 HB VAL A 35 11.253 15.754 9.065 1.00 31.33 H new ATOM 0 HG11 VAL A 35 13.571 15.403 9.813 1.00 2.13 H new ATOM 0 HG12 VAL A 35 12.469 14.173 10.477 1.00 2.13 H new ATOM 0 HG13 VAL A 35 13.543 13.765 9.118 1.00 2.13 H new ATOM 0 HG21 VAL A 35 13.120 16.422 7.608 1.00 53.43 H new ATOM 0 HG22 VAL A 35 13.074 14.825 6.823 1.00 53.43 H new ATOM 0 HG23 VAL A 35 11.691 15.934 6.668 1.00 53.43 H new ATOM 532 N VAL A 36 12.297 11.848 7.715 1.00 44.54 N ATOM 533 CA VAL A 36 12.990 10.597 7.999 1.00 51.30 C ATOM 534 C VAL A 36 14.442 10.849 8.389 1.00 10.31 C ATOM 535 O VAL A 36 14.928 10.320 9.389 1.00 73.54 O ATOM 536 CB VAL A 36 12.953 9.647 6.787 1.00 13.32 C ATOM 537 CG1 VAL A 36 13.260 8.221 7.217 1.00 33.12 C ATOM 538 CG2 VAL A 36 11.602 9.724 6.092 1.00 41.34 C ATOM 0 H VAL A 36 12.377 12.164 6.749 1.00 44.54 H new ATOM 0 HA VAL A 36 12.469 10.129 8.834 1.00 51.30 H new ATOM 0 HB VAL A 36 13.719 9.960 6.078 1.00 13.32 H new ATOM 0 HG11 VAL A 36 13.229 7.564 6.348 1.00 33.12 H new ATOM 0 HG12 VAL A 36 14.252 8.182 7.666 1.00 33.12 H new ATOM 0 HG13 VAL A 36 12.519 7.893 7.946 1.00 33.12 H new ATOM 0 HG21 VAL A 36 11.593 9.047 5.238 1.00 41.34 H new ATOM 0 HG22 VAL A 36 10.816 9.437 6.791 1.00 41.34 H new ATOM 0 HG23 VAL A 36 11.427 10.744 5.748 1.00 41.34 H new ATOM 548 N ARG A 37 15.130 11.662 7.594 1.00 61.22 N ATOM 549 CA ARG A 37 16.528 11.984 7.855 1.00 33.14 C ATOM 550 C ARG A 37 16.995 13.136 6.970 1.00 21.34 C ATOM 551 O ARG A 37 16.410 13.403 5.920 1.00 24.45 O ATOM 552 CB ARG A 37 17.409 10.756 7.620 1.00 31.31 C ATOM 553 CG ARG A 37 18.446 10.533 8.709 1.00 62.25 C ATOM 554 CD ARG A 37 17.888 9.691 9.846 1.00 43.42 C ATOM 555 NE ARG A 37 17.439 8.380 9.387 1.00 72.11 N ATOM 556 CZ ARG A 37 18.264 7.382 9.092 1.00 24.21 C ATOM 557 NH1 ARG A 37 19.575 7.545 9.208 1.00 20.23 N ATOM 558 NH2 ARG A 37 17.779 6.217 8.681 1.00 41.33 N ATOM 0 H ARG A 37 14.742 12.110 6.764 1.00 61.22 H new ATOM 0 HA ARG A 37 16.616 12.291 8.897 1.00 33.14 H new ATOM 0 HB2 ARG A 37 16.775 9.873 7.548 1.00 31.31 H new ATOM 0 HB3 ARG A 37 17.918 10.862 6.662 1.00 31.31 H new ATOM 0 HG2 ARG A 37 19.320 10.040 8.285 1.00 62.25 H new ATOM 0 HG3 ARG A 37 18.780 11.495 9.097 1.00 62.25 H new ATOM 0 HD2 ARG A 37 18.653 9.564 10.612 1.00 43.42 H new ATOM 0 HD3 ARG A 37 17.054 10.217 10.311 1.00 43.42 H new ATOM 0 HE ARG A 37 16.436 8.222 9.287 1.00 72.11 H new ATOM 0 HH11 ARG A 37 19.952 8.438 9.524 1.00 20.23 H new ATOM 0 HH12 ARG A 37 20.206 6.777 8.981 1.00 20.23 H new ATOM 0 HH21 ARG A 37 16.771 6.087 8.591 1.00 41.33 H new ATOM 0 HH22 ARG A 37 18.414 5.451 8.455 1.00 41.33 H new ATOM 572 N VAL A 38 18.053 13.815 7.402 1.00 13.51 N ATOM 573 CA VAL A 38 18.599 14.938 6.649 1.00 3.23 C ATOM 574 C VAL A 38 20.097 14.770 6.422 1.00 43.10 C ATOM 575 O VAL A 38 20.865 14.594 7.369 1.00 53.34 O ATOM 576 CB VAL A 38 18.348 16.275 7.373 1.00 73.53 C ATOM 577 CG1 VAL A 38 19.054 16.294 8.720 1.00 73.12 C ATOM 578 CG2 VAL A 38 18.800 17.441 6.508 1.00 53.43 C ATOM 0 H VAL A 38 18.549 13.607 8.269 1.00 13.51 H new ATOM 0 HA VAL A 38 18.087 14.953 5.687 1.00 3.23 H new ATOM 0 HB VAL A 38 17.277 16.377 7.550 1.00 73.53 H new ATOM 0 HG11 VAL A 38 18.865 17.246 9.216 1.00 73.12 H new ATOM 0 HG12 VAL A 38 18.677 15.480 9.340 1.00 73.12 H new ATOM 0 HG13 VAL A 38 20.126 16.169 8.570 1.00 73.12 H new ATOM 0 HG21 VAL A 38 18.616 18.377 7.034 1.00 53.43 H new ATOM 0 HG22 VAL A 38 19.865 17.347 6.298 1.00 53.43 H new ATOM 0 HG23 VAL A 38 18.244 17.436 5.571 1.00 53.43 H new ATOM 588 N LYS A 39 20.508 14.826 5.160 1.00 64.33 N ATOM 589 CA LYS A 39 21.916 14.682 4.806 1.00 75.33 C ATOM 590 C LYS A 39 22.457 15.969 4.192 1.00 73.13 C ATOM 591 O LYS A 39 21.946 16.448 3.179 1.00 10.13 O ATOM 592 CB LYS A 39 22.100 13.520 3.826 1.00 10.24 C ATOM 593 CG LYS A 39 23.549 13.102 3.645 1.00 52.24 C ATOM 594 CD LYS A 39 24.246 13.950 2.594 1.00 60.34 C ATOM 595 CE LYS A 39 25.288 13.146 1.831 1.00 72.13 C ATOM 596 NZ LYS A 39 26.483 13.967 1.492 1.00 23.25 N ATOM 0 H LYS A 39 19.886 14.970 4.364 1.00 64.33 H new ATOM 0 HA LYS A 39 22.475 14.473 5.718 1.00 75.33 H new ATOM 0 HB2 LYS A 39 21.525 12.664 4.178 1.00 10.24 H new ATOM 0 HB3 LYS A 39 21.689 13.804 2.857 1.00 10.24 H new ATOM 0 HG2 LYS A 39 24.076 13.192 4.595 1.00 52.24 H new ATOM 0 HG3 LYS A 39 23.592 12.052 3.355 1.00 52.24 H new ATOM 0 HD2 LYS A 39 23.508 14.346 1.896 1.00 60.34 H new ATOM 0 HD3 LYS A 39 24.723 14.805 3.073 1.00 60.34 H new ATOM 0 HE2 LYS A 39 25.595 12.288 2.430 1.00 72.13 H new ATOM 0 HE3 LYS A 39 24.845 12.754 0.915 1.00 72.13 H new ATOM 0 HZ1 LYS A 39 26.612 13.982 0.460 1.00 23.25 H new ATOM 0 HZ2 LYS A 39 26.347 14.938 1.838 1.00 23.25 H new ATOM 0 HZ3 LYS A 39 27.326 13.555 1.940 1.00 23.25 H new ATOM 610 N VAL A 40 23.494 16.524 4.810 1.00 23.42 N ATOM 611 CA VAL A 40 24.106 17.754 4.323 1.00 64.11 C ATOM 612 C VAL A 40 25.521 17.500 3.813 1.00 34.24 C ATOM 613 O VAL A 40 26.291 16.763 4.430 1.00 53.51 O ATOM 614 CB VAL A 40 24.155 18.831 5.423 1.00 33.20 C ATOM 615 CG1 VAL A 40 24.612 20.163 4.847 1.00 34.52 C ATOM 616 CG2 VAL A 40 22.796 18.968 6.093 1.00 1.43 C ATOM 0 H VAL A 40 23.928 16.141 5.650 1.00 23.42 H new ATOM 0 HA VAL A 40 23.485 18.112 3.502 1.00 64.11 H new ATOM 0 HB VAL A 40 24.878 18.523 6.178 1.00 33.20 H new ATOM 0 HG11 VAL A 40 24.640 20.911 5.639 1.00 34.52 H new ATOM 0 HG12 VAL A 40 25.608 20.051 4.417 1.00 34.52 H new ATOM 0 HG13 VAL A 40 23.916 20.482 4.071 1.00 34.52 H new ATOM 0 HG21 VAL A 40 22.848 19.733 6.868 1.00 1.43 H new ATOM 0 HG22 VAL A 40 22.051 19.254 5.350 1.00 1.43 H new ATOM 0 HG23 VAL A 40 22.514 18.016 6.542 1.00 1.43 H new ATOM 626 N SER A 41 25.856 18.115 2.684 1.00 62.33 N ATOM 627 CA SER A 41 27.178 17.953 2.089 1.00 74.34 C ATOM 628 C SER A 41 27.976 19.249 2.178 1.00 4.42 C ATOM 629 O SER A 41 27.693 20.217 1.471 1.00 13.32 O ATOM 630 CB SER A 41 27.052 17.518 0.627 1.00 21.43 C ATOM 631 OG SER A 41 28.314 17.161 0.091 1.00 25.02 O ATOM 0 H SER A 41 25.231 18.730 2.163 1.00 62.33 H new ATOM 0 HA SER A 41 27.708 17.181 2.647 1.00 74.34 H new ATOM 0 HB2 SER A 41 26.370 16.671 0.554 1.00 21.43 H new ATOM 0 HB3 SER A 41 26.620 18.328 0.039 1.00 21.43 H new ATOM 0 HG SER A 41 28.206 16.885 -0.843 1.00 25.02 H new ATOM 637 N LEU A 42 28.977 19.261 3.052 1.00 14.24 N ATOM 638 CA LEU A 42 29.818 20.439 3.236 1.00 23.50 C ATOM 639 C LEU A 42 30.652 20.712 1.988 1.00 23.35 C ATOM 640 O LEU A 42 30.984 21.859 1.690 1.00 32.02 O ATOM 641 CB LEU A 42 30.736 20.250 4.446 1.00 53.25 C ATOM 642 CG LEU A 42 31.770 19.130 4.335 1.00 24.22 C ATOM 643 CD1 LEU A 42 33.052 19.647 3.700 1.00 55.04 C ATOM 644 CD2 LEU A 42 32.056 18.531 5.705 1.00 43.03 C ATOM 0 H LEU A 42 29.226 18.469 3.644 1.00 14.24 H new ATOM 0 HA LEU A 42 29.168 21.296 3.411 1.00 23.50 H new ATOM 0 HB2 LEU A 42 31.263 21.187 4.627 1.00 53.25 H new ATOM 0 HB3 LEU A 42 30.115 20.059 5.321 1.00 53.25 H new ATOM 0 HG LEU A 42 31.362 18.347 3.695 1.00 24.22 H new ATOM 0 HD11 LEU A 42 33.776 18.835 3.629 1.00 55.04 H new ATOM 0 HD12 LEU A 42 32.836 20.028 2.702 1.00 55.04 H new ATOM 0 HD13 LEU A 42 33.464 20.449 4.313 1.00 55.04 H new ATOM 0 HD21 LEU A 42 32.794 17.735 5.607 1.00 43.03 H new ATOM 0 HD22 LEU A 42 32.443 19.306 6.367 1.00 43.03 H new ATOM 0 HD23 LEU A 42 31.136 18.123 6.123 1.00 43.03 H new ATOM 656 N SER A 43 30.986 19.650 1.262 1.00 24.21 N ATOM 657 CA SER A 43 31.783 19.775 0.047 1.00 30.21 C ATOM 658 C SER A 43 30.969 20.417 -1.072 1.00 45.42 C ATOM 659 O SER A 43 31.513 21.113 -1.929 1.00 23.02 O ATOM 660 CB SER A 43 32.290 18.402 -0.399 1.00 60.00 C ATOM 661 OG SER A 43 31.241 17.626 -0.951 1.00 60.43 O ATOM 0 H SER A 43 30.717 18.694 1.494 1.00 24.21 H new ATOM 0 HA SER A 43 32.637 20.416 0.266 1.00 30.21 H new ATOM 0 HB2 SER A 43 33.082 18.526 -1.137 1.00 60.00 H new ATOM 0 HB3 SER A 43 32.726 17.878 0.452 1.00 60.00 H new ATOM 0 HG SER A 43 30.449 17.691 -0.377 1.00 60.43 H new ATOM 667 N ASN A 44 29.662 20.178 -1.057 1.00 41.32 N ATOM 668 CA ASN A 44 28.772 20.733 -2.071 1.00 21.31 C ATOM 669 C ASN A 44 28.021 21.945 -1.530 1.00 54.54 C ATOM 670 O ASN A 44 27.238 22.572 -2.245 1.00 65.41 O ATOM 671 CB ASN A 44 27.777 19.670 -2.542 1.00 11.22 C ATOM 672 CG ASN A 44 27.213 19.975 -3.916 1.00 65.34 C ATOM 673 OD1 ASN A 44 27.300 21.104 -4.399 1.00 64.10 O ATOM 674 ND2 ASN A 44 26.631 18.966 -4.554 1.00 24.52 N ATOM 0 H ASN A 44 29.195 19.604 -0.355 1.00 41.32 H new ATOM 0 HA ASN A 44 29.380 21.053 -2.918 1.00 21.31 H new ATOM 0 HB2 ASN A 44 28.270 18.698 -2.562 1.00 11.22 H new ATOM 0 HB3 ASN A 44 26.960 19.598 -1.824 1.00 11.22 H new ATOM 0 HD21 ASN A 44 26.234 19.111 -5.482 1.00 24.52 H new ATOM 0 HD22 ASN A 44 26.581 18.046 -4.116 1.00 24.52 H new ATOM 681 N GLN A 45 28.265 22.270 -0.265 1.00 14.31 N ATOM 682 CA GLN A 45 27.611 23.408 0.371 1.00 73.11 C ATOM 683 C GLN A 45 26.100 23.350 0.170 1.00 20.40 C ATOM 684 O GLN A 45 25.459 24.369 -0.083 1.00 71.11 O ATOM 685 CB GLN A 45 28.162 24.719 -0.191 1.00 53.54 C ATOM 686 CG GLN A 45 29.610 24.983 0.187 1.00 22.22 C ATOM 687 CD GLN A 45 30.067 26.379 -0.188 1.00 31.11 C ATOM 688 OE1 GLN A 45 29.283 27.328 -0.166 1.00 75.14 O ATOM 689 NE2 GLN A 45 31.342 26.512 -0.534 1.00 72.25 N ATOM 0 H GLN A 45 28.910 21.762 0.340 1.00 14.31 H new ATOM 0 HA GLN A 45 27.819 23.363 1.440 1.00 73.11 H new ATOM 0 HB2 GLN A 45 28.076 24.703 -1.277 1.00 53.54 H new ATOM 0 HB3 GLN A 45 27.546 25.545 0.165 1.00 53.54 H new ATOM 0 HG2 GLN A 45 29.733 24.841 1.261 1.00 22.22 H new ATOM 0 HG3 GLN A 45 30.249 24.251 -0.306 1.00 22.22 H new ATOM 0 HE21 GLN A 45 31.957 25.698 -0.538 1.00 72.25 H new ATOM 0 HE22 GLN A 45 31.707 27.428 -0.795 1.00 72.25 H new ATOM 698 N GLU A 46 25.539 22.150 0.284 1.00 15.13 N ATOM 699 CA GLU A 46 24.103 21.960 0.114 1.00 71.03 C ATOM 700 C GLU A 46 23.526 21.124 1.253 1.00 54.34 C ATOM 701 O GLU A 46 24.259 20.452 1.977 1.00 1.31 O ATOM 702 CB GLU A 46 23.811 21.284 -1.228 1.00 3.32 C ATOM 703 CG GLU A 46 23.926 19.770 -1.184 1.00 63.13 C ATOM 704 CD GLU A 46 24.403 19.183 -2.499 1.00 1.03 C ATOM 705 OE1 GLU A 46 24.133 19.793 -3.554 1.00 44.31 O ATOM 706 OE2 GLU A 46 25.046 18.113 -2.471 1.00 64.11 O ATOM 0 H GLU A 46 26.056 21.296 0.493 1.00 15.13 H new ATOM 0 HA GLU A 46 23.628 22.941 0.130 1.00 71.03 H new ATOM 0 HB2 GLU A 46 22.805 21.554 -1.550 1.00 3.32 H new ATOM 0 HB3 GLU A 46 24.501 21.671 -1.978 1.00 3.32 H new ATOM 0 HG2 GLU A 46 24.617 19.485 -0.391 1.00 63.13 H new ATOM 0 HG3 GLU A 46 22.956 19.343 -0.930 1.00 63.13 H new ATOM 713 N ALA A 47 22.206 21.172 1.404 1.00 1.51 N ATOM 714 CA ALA A 47 21.530 20.420 2.453 1.00 74.41 C ATOM 715 C ALA A 47 20.357 19.624 1.889 1.00 42.33 C ATOM 716 O ALA A 47 19.475 20.180 1.234 1.00 32.23 O ATOM 717 CB ALA A 47 21.053 21.357 3.552 1.00 4.44 C ATOM 0 H ALA A 47 21.584 21.724 0.813 1.00 1.51 H new ATOM 0 HA ALA A 47 22.245 19.715 2.877 1.00 74.41 H new ATOM 0 HB1 ALA A 47 20.550 20.781 4.329 1.00 4.44 H new ATOM 0 HB2 ALA A 47 21.908 21.878 3.983 1.00 4.44 H new ATOM 0 HB3 ALA A 47 20.358 22.085 3.133 1.00 4.44 H new ATOM 723 N VAL A 48 20.354 18.320 2.146 1.00 44.12 N ATOM 724 CA VAL A 48 19.290 17.448 1.664 1.00 52.23 C ATOM 725 C VAL A 48 18.383 17.005 2.806 1.00 13.21 C ATOM 726 O VAL A 48 18.851 16.477 3.815 1.00 3.42 O ATOM 727 CB VAL A 48 19.860 16.201 0.963 1.00 42.05 C ATOM 728 CG1 VAL A 48 18.764 15.464 0.208 1.00 50.30 C ATOM 729 CG2 VAL A 48 20.995 16.589 0.027 1.00 60.24 C ATOM 0 H VAL A 48 21.077 17.844 2.686 1.00 44.12 H new ATOM 0 HA VAL A 48 18.709 18.026 0.945 1.00 52.23 H new ATOM 0 HB VAL A 48 20.259 15.529 1.723 1.00 42.05 H new ATOM 0 HG11 VAL A 48 19.186 14.586 -0.281 1.00 50.30 H new ATOM 0 HG12 VAL A 48 17.987 15.152 0.906 1.00 50.30 H new ATOM 0 HG13 VAL A 48 18.332 16.125 -0.543 1.00 50.30 H new ATOM 0 HG21 VAL A 48 21.386 15.696 -0.460 1.00 60.24 H new ATOM 0 HG22 VAL A 48 20.623 17.281 -0.729 1.00 60.24 H new ATOM 0 HG23 VAL A 48 21.790 17.068 0.598 1.00 60.24 H new ATOM 739 N ILE A 49 17.082 17.223 2.640 1.00 25.12 N ATOM 740 CA ILE A 49 16.109 16.844 3.657 1.00 2.41 C ATOM 741 C ILE A 49 15.164 15.765 3.139 1.00 3.51 C ATOM 742 O ILE A 49 14.408 15.988 2.193 1.00 50.01 O ATOM 743 CB ILE A 49 15.281 18.057 4.122 1.00 33.51 C ATOM 744 CG1 ILE A 49 16.201 19.227 4.472 1.00 5.24 C ATOM 745 CG2 ILE A 49 14.416 17.680 5.316 1.00 52.31 C ATOM 746 CD1 ILE A 49 16.089 20.392 3.514 1.00 42.01 C ATOM 0 H ILE A 49 16.678 17.660 1.811 1.00 25.12 H new ATOM 0 HA ILE A 49 16.673 16.453 4.504 1.00 2.41 H new ATOM 0 HB ILE A 49 14.627 18.366 3.307 1.00 33.51 H new ATOM 0 HG12 ILE A 49 15.969 19.572 5.480 1.00 5.24 H new ATOM 0 HG13 ILE A 49 17.233 18.876 4.485 1.00 5.24 H new ATOM 0 HG21 ILE A 49 13.837 18.547 5.634 1.00 52.31 H new ATOM 0 HG22 ILE A 49 13.738 16.874 5.034 1.00 52.31 H new ATOM 0 HG23 ILE A 49 15.053 17.349 6.136 1.00 52.31 H new ATOM 0 HD11 ILE A 49 16.770 21.185 3.824 1.00 42.01 H new ATOM 0 HD12 ILE A 49 16.350 20.062 2.508 1.00 42.01 H new ATOM 0 HD13 ILE A 49 15.066 20.770 3.518 1.00 42.01 H new ATOM 758 N THR A 50 15.211 14.594 3.767 1.00 50.42 N ATOM 759 CA THR A 50 14.359 13.480 3.370 1.00 1.34 C ATOM 760 C THR A 50 13.120 13.395 4.254 1.00 75.35 C ATOM 761 O THR A 50 13.222 13.285 5.476 1.00 44.54 O ATOM 762 CB THR A 50 15.117 12.141 3.439 1.00 44.35 C ATOM 763 OG1 THR A 50 16.293 12.202 2.623 1.00 2.24 O ATOM 764 CG2 THR A 50 14.232 10.994 2.976 1.00 63.12 C ATOM 0 H THR A 50 15.830 14.393 4.552 1.00 50.42 H new ATOM 0 HA THR A 50 14.056 13.665 2.339 1.00 1.34 H new ATOM 0 HB THR A 50 15.403 11.963 4.476 1.00 44.35 H new ATOM 0 HG1 THR A 50 16.771 11.348 2.673 1.00 2.24 H new ATOM 0 HG21 THR A 50 14.789 10.059 3.033 1.00 63.12 H new ATOM 0 HG22 THR A 50 13.352 10.932 3.616 1.00 63.12 H new ATOM 0 HG23 THR A 50 13.920 11.168 1.946 1.00 63.12 H new ATOM 772 N TYR A 51 11.949 13.444 3.628 1.00 52.31 N ATOM 773 CA TYR A 51 10.689 13.374 4.358 1.00 54.11 C ATOM 774 C TYR A 51 9.710 12.430 3.666 1.00 50.21 C ATOM 775 O TYR A 51 9.989 11.914 2.584 1.00 3.21 O ATOM 776 CB TYR A 51 10.069 14.767 4.483 1.00 40.01 C ATOM 777 CG TYR A 51 9.235 15.168 3.287 1.00 14.04 C ATOM 778 CD1 TYR A 51 9.802 15.273 2.023 1.00 1.24 C ATOM 779 CD2 TYR A 51 7.879 15.443 3.422 1.00 64.32 C ATOM 780 CE1 TYR A 51 9.044 15.640 0.928 1.00 31.13 C ATOM 781 CE2 TYR A 51 7.113 15.809 2.332 1.00 22.42 C ATOM 782 CZ TYR A 51 7.700 15.906 1.088 1.00 50.13 C ATOM 783 OH TYR A 51 6.941 16.272 0.000 1.00 75.30 O ATOM 0 H TYR A 51 11.846 13.532 2.617 1.00 52.31 H new ATOM 0 HA TYR A 51 10.898 12.986 5.355 1.00 54.11 H new ATOM 0 HB2 TYR A 51 9.446 14.799 5.377 1.00 40.01 H new ATOM 0 HB3 TYR A 51 10.865 15.499 4.622 1.00 40.01 H new ATOM 0 HD1 TYR A 51 10.854 15.064 1.894 1.00 1.24 H new ATOM 0 HD2 TYR A 51 7.417 15.369 4.395 1.00 64.32 H new ATOM 0 HE1 TYR A 51 9.501 15.718 -0.047 1.00 31.13 H new ATOM 0 HE2 TYR A 51 6.060 16.018 2.454 1.00 22.42 H new ATOM 0 HH TYR A 51 6.157 15.688 -0.063 1.00 75.30 H new ATOM 793 N GLN A 52 8.562 12.211 4.299 1.00 60.53 N ATOM 794 CA GLN A 52 7.541 11.329 3.744 1.00 24.15 C ATOM 795 C GLN A 52 6.219 12.068 3.572 1.00 14.32 C ATOM 796 O GLN A 52 5.765 12.794 4.457 1.00 22.15 O ATOM 797 CB GLN A 52 7.344 10.111 4.648 1.00 23.42 C ATOM 798 CG GLN A 52 8.553 9.190 4.700 1.00 32.13 C ATOM 799 CD GLN A 52 8.603 8.364 5.971 1.00 71.05 C ATOM 800 OE1 GLN A 52 8.689 8.905 7.073 1.00 34.24 O ATOM 801 NE2 GLN A 52 8.549 7.045 5.822 1.00 4.51 N ATOM 0 H GLN A 52 8.315 12.631 5.195 1.00 60.53 H new ATOM 0 HA GLN A 52 7.879 10.994 2.763 1.00 24.15 H new ATOM 0 HB2 GLN A 52 7.113 10.452 5.657 1.00 23.42 H new ATOM 0 HB3 GLN A 52 6.481 9.545 4.298 1.00 23.42 H new ATOM 0 HG2 GLN A 52 8.534 8.523 3.838 1.00 32.13 H new ATOM 0 HG3 GLN A 52 9.462 9.786 4.622 1.00 32.13 H new ATOM 0 HE21 GLN A 52 8.478 6.640 4.889 1.00 4.51 H new ATOM 0 HE22 GLN A 52 8.579 6.438 6.641 1.00 4.51 H new ATOM 810 N PRO A 53 5.584 11.882 2.406 1.00 75.14 N ATOM 811 CA PRO A 53 4.304 12.523 2.090 1.00 75.21 C ATOM 812 C PRO A 53 3.154 11.960 2.918 1.00 35.11 C ATOM 813 O PRO A 53 2.108 12.595 3.058 1.00 31.24 O ATOM 814 CB PRO A 53 4.102 12.201 0.607 1.00 40.20 C ATOM 815 CG PRO A 53 4.882 10.953 0.381 1.00 64.43 C ATOM 816 CD PRO A 53 6.066 11.031 1.305 1.00 31.31 C ATOM 0 HA PRO A 53 4.318 13.590 2.311 1.00 75.21 H new ATOM 0 HB2 PRO A 53 3.047 12.056 0.373 1.00 40.20 H new ATOM 0 HB3 PRO A 53 4.461 13.012 -0.027 1.00 40.20 H new ATOM 0 HG2 PRO A 53 4.278 10.071 0.595 1.00 64.43 H new ATOM 0 HG3 PRO A 53 5.202 10.876 -0.658 1.00 64.43 H new ATOM 0 HD2 PRO A 53 6.364 10.045 1.660 1.00 31.31 H new ATOM 0 HD3 PRO A 53 6.934 11.467 0.810 1.00 31.31 H new ATOM 824 N TYR A 54 3.354 10.766 3.465 1.00 74.02 N ATOM 825 CA TYR A 54 2.332 10.117 4.278 1.00 60.22 C ATOM 826 C TYR A 54 2.320 10.685 5.694 1.00 64.32 C ATOM 827 O TYR A 54 1.371 10.479 6.450 1.00 35.15 O ATOM 828 CB TYR A 54 2.571 8.607 4.324 1.00 73.30 C ATOM 829 CG TYR A 54 1.843 7.913 5.453 1.00 32.21 C ATOM 830 CD1 TYR A 54 2.413 7.814 6.716 1.00 25.42 C ATOM 831 CD2 TYR A 54 0.585 7.356 5.257 1.00 63.30 C ATOM 832 CE1 TYR A 54 1.753 7.180 7.751 1.00 54.02 C ATOM 833 CE2 TYR A 54 -0.083 6.722 6.286 1.00 35.30 C ATOM 834 CZ TYR A 54 0.504 6.636 7.531 1.00 43.21 C ATOM 835 OH TYR A 54 -0.158 6.004 8.558 1.00 11.12 O ATOM 0 H TYR A 54 4.214 10.228 3.360 1.00 74.02 H new ATOM 0 HA TYR A 54 1.362 10.311 3.820 1.00 60.22 H new ATOM 0 HB2 TYR A 54 2.257 8.169 3.377 1.00 73.30 H new ATOM 0 HB3 TYR A 54 3.640 8.420 4.423 1.00 73.30 H new ATOM 0 HD1 TYR A 54 3.390 8.240 6.892 1.00 25.42 H new ATOM 0 HD2 TYR A 54 0.122 7.420 4.283 1.00 63.30 H new ATOM 0 HE1 TYR A 54 2.212 7.111 8.726 1.00 54.02 H new ATOM 0 HE2 TYR A 54 -1.061 6.295 6.117 1.00 35.30 H new ATOM 0 HH TYR A 54 -1.025 5.678 8.237 1.00 11.12 H new ATOM 845 N LEU A 55 3.382 11.401 6.045 1.00 4.12 N ATOM 846 CA LEU A 55 3.496 12.001 7.370 1.00 23.12 C ATOM 847 C LEU A 55 3.409 13.522 7.289 1.00 74.50 C ATOM 848 O LEU A 55 2.387 14.113 7.637 1.00 15.43 O ATOM 849 CB LEU A 55 4.815 11.589 8.026 1.00 4.13 C ATOM 850 CG LEU A 55 5.027 10.088 8.223 1.00 64.44 C ATOM 851 CD1 LEU A 55 6.447 9.805 8.689 1.00 10.54 C ATOM 852 CD2 LEU A 55 4.017 9.532 9.215 1.00 21.45 C ATOM 0 H LEU A 55 4.177 11.580 5.431 1.00 4.12 H new ATOM 0 HA LEU A 55 2.666 11.640 7.978 1.00 23.12 H new ATOM 0 HB2 LEU A 55 5.635 11.975 7.420 1.00 4.13 H new ATOM 0 HB3 LEU A 55 4.881 12.076 8.999 1.00 4.13 H new ATOM 0 HG LEU A 55 4.876 9.591 7.265 1.00 64.44 H new ATOM 0 HD11 LEU A 55 6.579 8.731 8.824 1.00 10.54 H new ATOM 0 HD12 LEU A 55 7.154 10.166 7.942 1.00 10.54 H new ATOM 0 HD13 LEU A 55 6.628 10.314 9.636 1.00 10.54 H new ATOM 0 HD21 LEU A 55 4.183 8.462 9.343 1.00 21.45 H new ATOM 0 HD22 LEU A 55 4.135 10.035 10.175 1.00 21.45 H new ATOM 0 HD23 LEU A 55 3.008 9.700 8.839 1.00 21.45 H new ATOM 864 N ILE A 56 4.485 14.147 6.825 1.00 2.23 N ATOM 865 CA ILE A 56 4.528 15.598 6.695 1.00 0.31 C ATOM 866 C ILE A 56 4.669 16.015 5.235 1.00 13.41 C ATOM 867 O ILE A 56 5.171 15.255 4.408 1.00 21.34 O ATOM 868 CB ILE A 56 5.691 16.202 7.504 1.00 2.01 C ATOM 869 CG1 ILE A 56 5.577 17.727 7.542 1.00 0.33 C ATOM 870 CG2 ILE A 56 7.026 15.780 6.908 1.00 11.03 C ATOM 871 CD1 ILE A 56 6.660 18.394 8.362 1.00 72.04 C ATOM 0 H ILE A 56 5.339 13.672 6.533 1.00 2.23 H new ATOM 0 HA ILE A 56 3.586 15.978 7.090 1.00 0.31 H new ATOM 0 HB ILE A 56 5.636 15.827 8.526 1.00 2.01 H new ATOM 0 HG12 ILE A 56 5.615 18.112 6.523 1.00 0.33 H new ATOM 0 HG13 ILE A 56 4.604 18.000 7.949 1.00 0.33 H new ATOM 0 HG21 ILE A 56 7.838 16.215 7.491 1.00 11.03 H new ATOM 0 HG22 ILE A 56 7.106 14.693 6.928 1.00 11.03 H new ATOM 0 HG23 ILE A 56 7.091 16.129 5.878 1.00 11.03 H new ATOM 0 HD11 ILE A 56 6.516 19.474 8.344 1.00 72.04 H new ATOM 0 HD12 ILE A 56 6.609 18.038 9.391 1.00 72.04 H new ATOM 0 HD13 ILE A 56 7.636 18.151 7.942 1.00 72.04 H new ATOM 883 N GLN A 57 4.223 17.229 4.927 1.00 61.15 N ATOM 884 CA GLN A 57 4.301 17.748 3.566 1.00 74.51 C ATOM 885 C GLN A 57 5.650 18.412 3.313 1.00 71.13 C ATOM 886 O GLN A 57 6.422 18.676 4.235 1.00 62.45 O ATOM 887 CB GLN A 57 3.171 18.748 3.314 1.00 70.54 C ATOM 888 CG GLN A 57 2.020 18.173 2.504 1.00 53.21 C ATOM 889 CD GLN A 57 1.155 17.224 3.310 1.00 2.34 C ATOM 890 OE1 GLN A 57 0.699 17.559 4.404 1.00 54.43 O ATOM 891 NE2 GLN A 57 0.925 16.032 2.774 1.00 65.51 N ATOM 0 H GLN A 57 3.804 17.871 5.600 1.00 61.15 H new ATOM 0 HA GLN A 57 4.195 16.910 2.877 1.00 74.51 H new ATOM 0 HB2 GLN A 57 2.789 19.102 4.272 1.00 70.54 H new ATOM 0 HB3 GLN A 57 3.574 19.616 2.792 1.00 70.54 H new ATOM 0 HG2 GLN A 57 1.403 18.989 2.127 1.00 53.21 H new ATOM 0 HG3 GLN A 57 2.419 17.647 1.636 1.00 53.21 H new ATOM 0 HE21 GLN A 57 1.323 15.796 1.865 1.00 65.51 H new ATOM 0 HE22 GLN A 57 0.350 15.352 3.271 1.00 65.51 H new ATOM 900 N PRO A 58 5.942 18.689 2.033 1.00 5.55 N ATOM 901 CA PRO A 58 7.199 19.327 1.629 1.00 22.12 C ATOM 902 C PRO A 58 7.276 20.786 2.066 1.00 72.13 C ATOM 903 O PRO A 58 8.296 21.234 2.588 1.00 61.24 O ATOM 904 CB PRO A 58 7.173 19.226 0.102 1.00 13.20 C ATOM 905 CG PRO A 58 5.727 19.145 -0.247 1.00 72.22 C ATOM 906 CD PRO A 58 5.069 18.403 0.883 1.00 32.02 C ATOM 0 HA PRO A 58 8.065 18.848 2.087 1.00 22.12 H new ATOM 0 HB2 PRO A 58 7.644 20.094 -0.360 1.00 13.20 H new ATOM 0 HB3 PRO A 58 7.714 18.346 -0.246 1.00 13.20 H new ATOM 0 HG2 PRO A 58 5.297 20.140 -0.363 1.00 72.22 H new ATOM 0 HG3 PRO A 58 5.583 18.623 -1.193 1.00 72.22 H new ATOM 0 HD2 PRO A 58 4.051 18.753 1.055 1.00 32.02 H new ATOM 0 HD3 PRO A 58 5.009 17.334 0.680 1.00 32.02 H new ATOM 914 N GLU A 59 6.190 21.522 1.849 1.00 70.44 N ATOM 915 CA GLU A 59 6.136 22.931 2.220 1.00 61.30 C ATOM 916 C GLU A 59 6.307 23.103 3.727 1.00 53.25 C ATOM 917 O GLU A 59 6.928 24.062 4.186 1.00 60.31 O ATOM 918 CB GLU A 59 4.810 23.549 1.772 1.00 60.22 C ATOM 919 CG GLU A 59 4.835 25.067 1.714 1.00 32.12 C ATOM 920 CD GLU A 59 3.445 25.671 1.656 1.00 43.24 C ATOM 921 OE1 GLU A 59 2.652 25.253 0.787 1.00 32.32 O ATOM 922 OE2 GLU A 59 3.152 26.563 2.479 1.00 13.03 O ATOM 0 H GLU A 59 5.337 21.166 1.419 1.00 70.44 H new ATOM 0 HA GLU A 59 6.956 23.445 1.717 1.00 61.30 H new ATOM 0 HB2 GLU A 59 4.552 23.160 0.787 1.00 60.22 H new ATOM 0 HB3 GLU A 59 4.022 23.233 2.456 1.00 60.22 H new ATOM 0 HG2 GLU A 59 5.358 25.452 2.589 1.00 32.12 H new ATOM 0 HG3 GLU A 59 5.402 25.384 0.839 1.00 32.12 H new ATOM 929 N ASP A 60 5.750 22.169 4.490 1.00 64.14 N ATOM 930 CA ASP A 60 5.841 22.216 5.944 1.00 13.24 C ATOM 931 C ASP A 60 7.276 21.985 6.408 1.00 53.45 C ATOM 932 O ASP A 60 7.766 22.668 7.308 1.00 45.45 O ATOM 933 CB ASP A 60 4.916 21.170 6.568 1.00 13.03 C ATOM 934 CG ASP A 60 3.818 21.794 7.407 1.00 53.43 C ATOM 935 OD1 ASP A 60 2.780 22.183 6.831 1.00 15.12 O ATOM 936 OD2 ASP A 60 3.996 21.894 8.638 1.00 22.35 O ATOM 0 H ASP A 60 5.231 21.370 4.125 1.00 64.14 H new ATOM 0 HA ASP A 60 5.529 23.208 6.270 1.00 13.24 H new ATOM 0 HB2 ASP A 60 4.468 20.568 5.778 1.00 13.03 H new ATOM 0 HB3 ASP A 60 5.504 20.494 7.189 1.00 13.03 H new ATOM 941 N LEU A 61 7.943 21.018 5.788 1.00 5.41 N ATOM 942 CA LEU A 61 9.323 20.696 6.137 1.00 12.22 C ATOM 943 C LEU A 61 10.263 21.833 5.749 1.00 54.02 C ATOM 944 O LEU A 61 11.319 22.013 6.355 1.00 62.43 O ATOM 945 CB LEU A 61 9.756 19.402 5.445 1.00 12.44 C ATOM 946 CG LEU A 61 10.524 19.567 4.134 1.00 45.31 C ATOM 947 CD1 LEU A 61 12.011 19.736 4.404 1.00 4.54 C ATOM 948 CD2 LEU A 61 10.279 18.377 3.219 1.00 61.34 C ATOM 0 H LEU A 61 7.551 20.443 5.042 1.00 5.41 H new ATOM 0 HA LEU A 61 9.376 20.559 7.217 1.00 12.22 H new ATOM 0 HB2 LEU A 61 10.377 18.833 6.137 1.00 12.44 H new ATOM 0 HB3 LEU A 61 8.867 18.803 5.249 1.00 12.44 H new ATOM 0 HG LEU A 61 10.162 20.465 3.634 1.00 45.31 H new ATOM 0 HD11 LEU A 61 12.542 19.852 3.459 1.00 4.54 H new ATOM 0 HD12 LEU A 61 12.171 20.620 5.021 1.00 4.54 H new ATOM 0 HD13 LEU A 61 12.388 18.857 4.926 1.00 4.54 H new ATOM 0 HD21 LEU A 61 10.834 18.512 2.290 1.00 61.34 H new ATOM 0 HD22 LEU A 61 10.613 17.464 3.712 1.00 61.34 H new ATOM 0 HD23 LEU A 61 9.214 18.301 2.998 1.00 61.34 H new ATOM 960 N ARG A 62 9.870 22.599 4.736 1.00 13.03 N ATOM 961 CA ARG A 62 10.677 23.719 4.268 1.00 55.31 C ATOM 962 C ARG A 62 10.803 24.788 5.350 1.00 51.14 C ATOM 963 O ARG A 62 11.885 25.330 5.578 1.00 72.42 O ATOM 964 CB ARG A 62 10.061 24.326 3.006 1.00 51.22 C ATOM 965 CG ARG A 62 10.947 25.362 2.333 1.00 22.13 C ATOM 966 CD ARG A 62 10.591 26.772 2.777 1.00 52.24 C ATOM 967 NE ARG A 62 9.295 27.199 2.256 1.00 72.33 N ATOM 968 CZ ARG A 62 8.632 28.256 2.711 1.00 74.13 C ATOM 969 NH1 ARG A 62 9.140 28.990 3.690 1.00 3.43 N ATOM 970 NH2 ARG A 62 7.457 28.580 2.185 1.00 2.43 N ATOM 0 H ARG A 62 8.998 22.464 4.224 1.00 13.03 H new ATOM 0 HA ARG A 62 11.673 23.344 4.034 1.00 55.31 H new ATOM 0 HB2 ARG A 62 9.847 23.527 2.296 1.00 51.22 H new ATOM 0 HB3 ARG A 62 9.108 24.788 3.263 1.00 51.22 H new ATOM 0 HG2 ARG A 62 11.991 25.158 2.569 1.00 22.13 H new ATOM 0 HG3 ARG A 62 10.844 25.283 1.251 1.00 22.13 H new ATOM 0 HD2 ARG A 62 10.576 26.816 3.866 1.00 52.24 H new ATOM 0 HD3 ARG A 62 11.363 27.464 2.440 1.00 52.24 H new ATOM 0 HE ARG A 62 8.876 26.656 1.501 1.00 72.33 H new ATOM 0 HH11 ARG A 62 10.043 28.744 4.096 1.00 3.43 H new ATOM 0 HH12 ARG A 62 8.628 29.801 4.037 1.00 3.43 H new ATOM 0 HH21 ARG A 62 7.063 28.017 1.431 1.00 2.43 H new ATOM 0 HH22 ARG A 62 6.948 29.392 2.535 1.00 2.43 H new ATOM 984 N ASP A 63 9.691 25.087 6.012 1.00 74.43 N ATOM 985 CA ASP A 63 9.677 26.090 7.070 1.00 54.12 C ATOM 986 C ASP A 63 10.504 25.630 8.266 1.00 42.21 C ATOM 987 O ASP A 63 11.135 26.440 8.946 1.00 10.10 O ATOM 988 CB ASP A 63 8.240 26.379 7.509 1.00 43.45 C ATOM 989 CG ASP A 63 8.176 27.103 8.839 1.00 1.40 C ATOM 990 OD1 ASP A 63 8.610 28.273 8.899 1.00 33.32 O ATOM 991 OD2 ASP A 63 7.693 26.500 9.820 1.00 11.34 O ATOM 0 H ASP A 63 8.787 24.649 5.835 1.00 74.43 H new ATOM 0 HA ASP A 63 10.119 27.005 6.675 1.00 54.12 H new ATOM 0 HB2 ASP A 63 7.744 26.980 6.747 1.00 43.45 H new ATOM 0 HB3 ASP A 63 7.690 25.441 7.582 1.00 43.45 H new ATOM 996 N HIS A 64 10.496 24.325 8.518 1.00 64.03 N ATOM 997 CA HIS A 64 11.246 23.757 9.633 1.00 41.04 C ATOM 998 C HIS A 64 12.748 23.919 9.416 1.00 33.20 C ATOM 999 O HIS A 64 13.495 24.192 10.356 1.00 60.35 O ATOM 1000 CB HIS A 64 10.901 22.278 9.806 1.00 34.21 C ATOM 1001 CG HIS A 64 10.806 21.849 11.238 1.00 73.20 C ATOM 1002 ND1 HIS A 64 9.678 21.264 11.775 1.00 3.45 N ATOM 1003 CD2 HIS A 64 11.707 21.921 12.245 1.00 21.52 C ATOM 1004 CE1 HIS A 64 9.890 20.997 13.052 1.00 73.12 C ATOM 1005 NE2 HIS A 64 11.114 21.385 13.362 1.00 74.13 N ATOM 0 H HIS A 64 9.979 23.641 7.966 1.00 64.03 H new ATOM 0 HA HIS A 64 10.967 24.296 10.538 1.00 41.04 H new ATOM 0 HB2 HIS A 64 9.952 22.074 9.310 1.00 34.21 H new ATOM 0 HB3 HIS A 64 11.658 21.676 9.304 1.00 34.21 H new ATOM 0 HD1 HIS A 64 8.816 21.068 11.266 1.00 3.45 H new ATOM 0 HD2 HIS A 64 12.707 22.325 12.182 1.00 21.52 H new ATOM 0 HE1 HIS A 64 9.182 20.539 13.727 1.00 73.12 H new ATOM 1013 N VAL A 65 13.183 23.748 8.172 1.00 62.12 N ATOM 1014 CA VAL A 65 14.595 23.875 7.832 1.00 42.23 C ATOM 1015 C VAL A 65 15.138 25.240 8.240 1.00 52.34 C ATOM 1016 O VAL A 65 16.220 25.342 8.816 1.00 14.43 O ATOM 1017 CB VAL A 65 14.830 23.672 6.323 1.00 32.41 C ATOM 1018 CG1 VAL A 65 16.319 23.636 6.014 1.00 33.41 C ATOM 1019 CG2 VAL A 65 14.147 22.399 5.845 1.00 12.21 C ATOM 0 H VAL A 65 12.578 23.521 7.383 1.00 62.12 H new ATOM 0 HA VAL A 65 15.124 23.097 8.383 1.00 42.23 H new ATOM 0 HB VAL A 65 14.393 24.515 5.788 1.00 32.41 H new ATOM 0 HG11 VAL A 65 16.465 23.492 4.943 1.00 33.41 H new ATOM 0 HG12 VAL A 65 16.777 24.577 6.319 1.00 33.41 H new ATOM 0 HG13 VAL A 65 16.784 22.813 6.558 1.00 33.41 H new ATOM 0 HG21 VAL A 65 14.323 22.271 4.777 1.00 12.21 H new ATOM 0 HG22 VAL A 65 14.553 21.544 6.385 1.00 12.21 H new ATOM 0 HG23 VAL A 65 13.075 22.470 6.030 1.00 12.21 H new ATOM 1029 N ASN A 66 14.378 26.288 7.936 1.00 30.30 N ATOM 1030 CA ASN A 66 14.783 27.648 8.271 1.00 14.22 C ATOM 1031 C ASN A 66 14.811 27.850 9.783 1.00 4.41 C ATOM 1032 O ASN A 66 15.516 28.723 10.290 1.00 44.33 O ATOM 1033 CB ASN A 66 13.830 28.659 7.628 1.00 25.33 C ATOM 1034 CG ASN A 66 13.895 30.019 8.296 1.00 55.05 C ATOM 1035 OD1 ASN A 66 12.967 30.423 8.997 1.00 52.23 O ATOM 1036 ND2 ASN A 66 14.993 30.733 8.079 1.00 24.34 N ATOM 0 H ASN A 66 13.479 26.221 7.459 1.00 30.30 H new ATOM 0 HA ASN A 66 15.789 27.808 7.882 1.00 14.22 H new ATOM 0 HB2 ASN A 66 14.075 28.764 6.571 1.00 25.33 H new ATOM 0 HB3 ASN A 66 12.810 28.279 7.683 1.00 25.33 H new ATOM 0 HD21 ASN A 66 15.092 31.656 8.501 1.00 24.34 H new ATOM 0 HD22 ASN A 66 15.737 30.358 7.491 1.00 24.34 H new ATOM 1043 N ASP A 67 14.041 27.037 10.498 1.00 42.53 N ATOM 1044 CA ASP A 67 13.979 27.125 11.952 1.00 2.31 C ATOM 1045 C ASP A 67 15.307 26.710 12.579 1.00 52.44 C ATOM 1046 O ASP A 67 15.627 27.109 13.698 1.00 64.01 O ATOM 1047 CB ASP A 67 12.850 26.245 12.490 1.00 60.12 C ATOM 1048 CG ASP A 67 12.399 26.664 13.875 1.00 13.11 C ATOM 1049 OD1 ASP A 67 11.758 27.729 13.994 1.00 53.53 O ATOM 1050 OD2 ASP A 67 12.686 25.926 14.841 1.00 52.33 O ATOM 0 H ASP A 67 13.451 26.310 10.094 1.00 42.53 H new ATOM 0 HA ASP A 67 13.780 28.163 12.220 1.00 2.31 H new ATOM 0 HB2 ASP A 67 12.002 26.289 11.806 1.00 60.12 H new ATOM 0 HB3 ASP A 67 13.184 25.208 12.518 1.00 60.12 H new ATOM 1055 N MET A 68 16.074 25.907 11.849 1.00 30.22 N ATOM 1056 CA MET A 68 17.367 25.438 12.334 1.00 10.00 C ATOM 1057 C MET A 68 18.345 26.599 12.485 1.00 15.20 C ATOM 1058 O MET A 68 19.393 26.463 13.114 1.00 61.33 O ATOM 1059 CB MET A 68 17.944 24.391 11.380 1.00 63.13 C ATOM 1060 CG MET A 68 16.962 23.287 11.023 1.00 42.05 C ATOM 1061 SD MET A 68 16.106 22.626 12.465 1.00 72.21 S ATOM 1062 CE MET A 68 15.096 21.356 11.706 1.00 30.23 C ATOM 0 H MET A 68 15.823 25.568 10.920 1.00 30.22 H new ATOM 0 HA MET A 68 17.216 24.983 13.313 1.00 10.00 H new ATOM 0 HB2 MET A 68 18.270 24.886 10.465 1.00 63.13 H new ATOM 0 HB3 MET A 68 18.829 23.946 11.835 1.00 63.13 H new ATOM 0 HG2 MET A 68 16.228 23.673 10.315 1.00 42.05 H new ATOM 0 HG3 MET A 68 17.495 22.480 10.520 1.00 42.05 H new ATOM 0 HE1 MET A 68 14.519 20.843 12.475 1.00 30.23 H new ATOM 0 HE2 MET A 68 14.417 21.813 10.987 1.00 30.23 H new ATOM 0 HE3 MET A 68 15.737 20.639 11.194 1.00 30.23 H new ATOM 1072 N GLY A 69 17.993 27.742 11.903 1.00 4.35 N ATOM 1073 CA GLY A 69 18.851 28.910 11.985 1.00 1.20 C ATOM 1074 C GLY A 69 19.872 28.959 10.865 1.00 13.24 C ATOM 1075 O GLY A 69 20.979 29.467 11.047 1.00 72.54 O ATOM 0 H GLY A 69 17.130 27.880 11.377 1.00 4.35 H new ATOM 0 HA2 GLY A 69 18.238 29.811 11.953 1.00 1.20 H new ATOM 0 HA3 GLY A 69 19.368 28.910 12.944 1.00 1.20 H new ATOM 1079 N PHE A 70 19.500 28.429 9.705 1.00 44.23 N ATOM 1080 CA PHE A 70 20.393 28.412 8.552 1.00 40.23 C ATOM 1081 C PHE A 70 19.818 29.240 7.406 1.00 11.44 C ATOM 1082 O PHE A 70 18.623 29.531 7.377 1.00 13.41 O ATOM 1083 CB PHE A 70 20.632 26.974 8.086 1.00 1.33 C ATOM 1084 CG PHE A 70 21.514 26.184 9.010 1.00 45.20 C ATOM 1085 CD1 PHE A 70 21.019 25.682 10.202 1.00 14.23 C ATOM 1086 CD2 PHE A 70 22.840 25.944 8.686 1.00 61.10 C ATOM 1087 CE1 PHE A 70 21.828 24.954 11.054 1.00 13.44 C ATOM 1088 CE2 PHE A 70 23.654 25.217 9.534 1.00 72.52 C ATOM 1089 CZ PHE A 70 23.147 24.722 10.720 1.00 4.20 C ATOM 0 H PHE A 70 18.587 28.006 9.538 1.00 44.23 H new ATOM 0 HA PHE A 70 21.343 28.852 8.854 1.00 40.23 H new ATOM 0 HB2 PHE A 70 19.672 26.467 7.991 1.00 1.33 H new ATOM 0 HB3 PHE A 70 21.082 26.992 7.094 1.00 1.33 H new ATOM 0 HD1 PHE A 70 19.988 25.862 10.469 1.00 14.23 H new ATOM 0 HD2 PHE A 70 23.242 26.329 7.761 1.00 61.10 H new ATOM 0 HE1 PHE A 70 21.429 24.567 11.980 1.00 13.44 H new ATOM 0 HE2 PHE A 70 24.685 25.036 9.270 1.00 72.52 H new ATOM 0 HZ PHE A 70 23.782 24.155 11.385 1.00 4.20 H new ATOM 1099 N GLU A 71 20.679 29.617 6.466 1.00 74.43 N ATOM 1100 CA GLU A 71 20.256 30.412 5.319 1.00 3.51 C ATOM 1101 C GLU A 71 19.705 29.520 4.211 1.00 54.10 C ATOM 1102 O GLU A 71 19.365 29.996 3.128 1.00 65.42 O ATOM 1103 CB GLU A 71 21.427 31.241 4.786 1.00 1.13 C ATOM 1104 CG GLU A 71 21.043 32.660 4.402 1.00 63.04 C ATOM 1105 CD GLU A 71 20.412 33.425 5.548 1.00 34.25 C ATOM 1106 OE1 GLU A 71 21.152 33.842 6.463 1.00 41.50 O ATOM 1107 OE2 GLU A 71 19.176 33.606 5.531 1.00 70.23 O ATOM 0 H GLU A 71 21.672 29.385 6.476 1.00 74.43 H new ATOM 0 HA GLU A 71 19.463 31.084 5.648 1.00 3.51 H new ATOM 0 HB2 GLU A 71 22.210 31.278 5.544 1.00 1.13 H new ATOM 0 HB3 GLU A 71 21.850 30.740 3.915 1.00 1.13 H new ATOM 0 HG2 GLU A 71 21.931 33.192 4.060 1.00 63.04 H new ATOM 0 HG3 GLU A 71 20.347 32.630 3.564 1.00 63.04 H new ATOM 1114 N ALA A 72 19.619 28.224 4.491 1.00 74.21 N ATOM 1115 CA ALA A 72 19.107 27.265 3.520 1.00 63.24 C ATOM 1116 C ALA A 72 17.886 27.817 2.793 1.00 13.52 C ATOM 1117 O ALA A 72 17.002 28.412 3.409 1.00 34.34 O ATOM 1118 CB ALA A 72 18.766 25.950 4.205 1.00 10.13 C ATOM 0 H ALA A 72 19.897 27.814 5.382 1.00 74.21 H new ATOM 0 HA ALA A 72 19.887 27.085 2.780 1.00 63.24 H new ATOM 0 HB1 ALA A 72 18.385 25.244 3.467 1.00 10.13 H new ATOM 0 HB2 ALA A 72 19.662 25.540 4.671 1.00 10.13 H new ATOM 0 HB3 ALA A 72 18.007 26.123 4.968 1.00 10.13 H new ATOM 1124 N ALA A 73 17.844 27.618 1.480 1.00 54.31 N ATOM 1125 CA ALA A 73 16.730 28.096 0.670 1.00 34.31 C ATOM 1126 C ALA A 73 16.316 27.054 -0.363 1.00 72.43 C ATOM 1127 O ALA A 73 17.133 26.246 -0.805 1.00 63.24 O ATOM 1128 CB ALA A 73 17.097 29.404 -0.015 1.00 24.25 C ATOM 0 H ALA A 73 18.568 27.129 0.954 1.00 54.31 H new ATOM 0 HA ALA A 73 15.882 28.271 1.332 1.00 34.31 H new ATOM 0 HB1 ALA A 73 16.256 29.749 -0.616 1.00 24.25 H new ATOM 0 HB2 ALA A 73 17.336 30.155 0.738 1.00 24.25 H new ATOM 0 HB3 ALA A 73 17.963 29.247 -0.659 1.00 24.25 H new ATOM 1134 N ILE A 74 15.043 27.077 -0.743 1.00 51.14 N ATOM 1135 CA ILE A 74 14.522 26.134 -1.725 1.00 52.12 C ATOM 1136 C ILE A 74 15.229 26.291 -3.067 1.00 55.13 C ATOM 1137 O ILE A 74 15.225 27.370 -3.661 1.00 70.53 O ATOM 1138 CB ILE A 74 13.006 26.316 -1.931 1.00 64.14 C ATOM 1139 CG1 ILE A 74 12.290 26.376 -0.581 1.00 15.00 C ATOM 1140 CG2 ILE A 74 12.448 25.186 -2.784 1.00 25.24 C ATOM 1141 CD1 ILE A 74 11.856 27.771 -0.188 1.00 42.15 C ATOM 0 H ILE A 74 14.353 27.738 -0.386 1.00 51.14 H new ATOM 0 HA ILE A 74 14.710 25.134 -1.333 1.00 52.12 H new ATOM 0 HB ILE A 74 12.835 27.257 -2.453 1.00 64.14 H new ATOM 0 HG12 ILE A 74 11.414 25.728 -0.614 1.00 15.00 H new ATOM 0 HG13 ILE A 74 12.951 25.979 0.190 1.00 15.00 H new ATOM 0 HG21 ILE A 74 11.376 25.329 -2.921 1.00 25.24 H new ATOM 0 HG22 ILE A 74 12.941 25.186 -3.756 1.00 25.24 H new ATOM 0 HG23 ILE A 74 12.627 24.233 -2.287 1.00 25.24 H new ATOM 0 HD11 ILE A 74 11.355 27.737 0.780 1.00 42.15 H new ATOM 0 HD12 ILE A 74 12.730 28.419 -0.122 1.00 42.15 H new ATOM 0 HD13 ILE A 74 11.169 28.163 -0.938 1.00 42.15 H new ATOM 1153 N LYS A 75 15.833 25.207 -3.542 1.00 4.35 N ATOM 1154 CA LYS A 75 16.542 25.222 -4.816 1.00 24.25 C ATOM 1155 C LYS A 75 15.654 25.774 -5.926 1.00 64.01 C ATOM 1156 O LYS A 75 16.130 26.462 -6.830 1.00 33.44 O ATOM 1157 CB LYS A 75 17.012 23.811 -5.177 1.00 60.04 C ATOM 1158 CG LYS A 75 15.874 22.840 -5.440 1.00 21.34 C ATOM 1159 CD LYS A 75 15.604 22.685 -6.927 1.00 25.00 C ATOM 1160 CE LYS A 75 15.013 21.321 -7.247 1.00 75.02 C ATOM 1161 NZ LYS A 75 16.070 20.299 -7.481 1.00 73.33 N ATOM 0 H LYS A 75 15.846 24.306 -3.063 1.00 4.35 H new ATOM 0 HA LYS A 75 17.411 25.872 -4.713 1.00 24.25 H new ATOM 0 HB2 LYS A 75 17.646 23.863 -6.062 1.00 60.04 H new ATOM 0 HB3 LYS A 75 17.629 23.424 -4.366 1.00 60.04 H new ATOM 0 HG2 LYS A 75 16.117 21.868 -5.011 1.00 21.34 H new ATOM 0 HG3 LYS A 75 14.972 23.192 -4.940 1.00 21.34 H new ATOM 0 HD2 LYS A 75 14.919 23.466 -7.257 1.00 25.00 H new ATOM 0 HD3 LYS A 75 16.532 22.820 -7.482 1.00 25.00 H new ATOM 0 HE2 LYS A 75 14.374 21.000 -6.424 1.00 75.02 H new ATOM 0 HE3 LYS A 75 14.380 21.398 -8.131 1.00 75.02 H new ATOM 0 HZ1 LYS A 75 15.626 19.383 -7.696 1.00 73.33 H new ATOM 0 HZ2 LYS A 75 16.665 20.592 -8.282 1.00 73.33 H new ATOM 0 HZ3 LYS A 75 16.658 20.207 -6.628 1.00 73.33 H new ATOM 1175 N SER A 76 14.363 25.469 -5.851 1.00 53.53 N ATOM 1176 CA SER A 76 13.409 25.934 -6.852 1.00 32.32 C ATOM 1177 C SER A 76 12.938 27.350 -6.537 1.00 53.22 C ATOM 1178 O SER A 76 13.362 27.951 -5.552 1.00 1.43 O ATOM 1179 CB SER A 76 12.208 24.988 -6.920 1.00 21.03 C ATOM 1180 OG SER A 76 11.337 25.346 -7.978 1.00 73.54 O ATOM 0 H SER A 76 13.953 24.902 -5.108 1.00 53.53 H new ATOM 0 HA SER A 76 13.911 25.944 -7.820 1.00 32.32 H new ATOM 0 HB2 SER A 76 12.555 23.964 -7.061 1.00 21.03 H new ATOM 0 HB3 SER A 76 11.667 25.014 -5.974 1.00 21.03 H new ATOM 0 HG SER A 76 10.579 24.726 -8.002 1.00 73.54 H new TER 1186 SER A 76