USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -117:sc= -1.66 (180deg=-6.98!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.271 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.011) USER MOD Single : A 20 SER OG : rot 63:sc= 0.678 USER MOD Single : A 21 CYS SG : rot 180:sc=-0.00218 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 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.0679 (180deg=-0.391) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.097 X(o=-0.097,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.4) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 51 TYR OH : rot 130:sc= -1.64 USER MOD Single : A 52 GLN : amide:sc= -1.34 K(o=-1.3,f=-7.9!) 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) USER MOD Single : A 64 HIS : no HE2:sc= -3.04 K(o=-3,f=-4.8!) USER MOD Single : A 66 ASN : amide:sc= -0.0831 X(o=-0.083,f=-0.074) USER MOD Single : A 68 MET CE :methyl 146:sc= -3.8! (180deg=-6.89!) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc=-0.00453 (180deg=-0.016) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.900 -2.356 3.204 1.00 71.21 N ATOM 2 CA ALA A 1 3.811 -1.669 1.921 1.00 21.43 C ATOM 3 C ALA A 1 4.407 -0.268 2.006 1.00 22.42 C ATOM 4 O ALA A 1 3.959 0.560 2.797 1.00 3.44 O ATOM 5 CB ALA A 1 2.363 -1.602 1.458 1.00 44.11 C ATOM 0 H1 ALA A 1 3.487 -3.307 3.118 1.00 71.21 H new ATOM 0 H2 ALA A 1 4.898 -2.436 3.487 1.00 71.21 H new ATOM 0 H3 ALA A 1 3.378 -1.816 3.924 1.00 71.21 H new ATOM 0 HA ALA A 1 4.388 -2.237 1.191 1.00 21.43 H new ATOM 0 HB1 ALA A 1 2.311 -1.087 0.499 1.00 44.11 H new ATOM 0 HB2 ALA A 1 1.969 -2.612 1.349 1.00 44.11 H new ATOM 0 HB3 ALA A 1 1.770 -1.059 2.194 1.00 44.11 H new ATOM 11 N GLY A 2 5.421 -0.011 1.186 1.00 45.12 N ATOM 12 CA GLY A 2 6.063 1.291 1.185 1.00 31.12 C ATOM 13 C GLY A 2 7.575 1.192 1.230 1.00 12.32 C ATOM 14 O GLY A 2 8.156 0.930 2.284 1.00 61.13 O ATOM 0 H GLY A 2 5.810 -0.681 0.522 1.00 45.12 H new ATOM 0 HA2 GLY A 2 5.764 1.839 0.291 1.00 31.12 H new ATOM 0 HA3 GLY A 2 5.714 1.865 2.043 1.00 31.12 H new ATOM 18 N HIS A 3 8.214 1.401 0.084 1.00 44.22 N ATOM 19 CA HIS A 3 9.669 1.333 -0.004 1.00 12.34 C ATOM 20 C HIS A 3 10.243 2.643 -0.535 1.00 10.45 C ATOM 21 O HIS A 3 11.277 3.115 -0.063 1.00 65.33 O ATOM 22 CB HIS A 3 10.093 0.174 -0.906 1.00 0.21 C ATOM 23 CG HIS A 3 10.059 -1.159 -0.224 1.00 42.13 C ATOM 24 ND1 HIS A 3 8.913 -1.696 0.322 1.00 75.24 N ATOM 25 CD2 HIS A 3 11.040 -2.065 -0.003 1.00 72.31 C ATOM 26 CE1 HIS A 3 9.190 -2.875 0.851 1.00 53.54 C ATOM 27 NE2 HIS A 3 10.474 -3.122 0.667 1.00 70.24 N ATOM 0 H HIS A 3 7.748 1.619 -0.797 1.00 44.22 H new ATOM 0 HA HIS A 3 10.061 1.165 0.999 1.00 12.34 H new ATOM 0 HB2 HIS A 3 9.438 0.144 -1.777 1.00 0.21 H new ATOM 0 HB3 HIS A 3 11.103 0.360 -1.272 1.00 0.21 H new ATOM 0 HD2 HIS A 3 12.075 -1.974 -0.298 1.00 72.31 H new ATOM 0 HE1 HIS A 3 8.486 -3.526 1.349 1.00 53.54 H new ATOM 0 HE2 HIS A 3 10.966 -3.962 0.973 1.00 70.24 H new ATOM 35 N MET A 4 9.565 3.225 -1.518 1.00 52.51 N ATOM 36 CA MET A 4 10.008 4.481 -2.112 1.00 51.34 C ATOM 37 C MET A 4 8.905 5.533 -2.045 1.00 44.43 C ATOM 38 O MET A 4 8.648 6.238 -3.021 1.00 72.41 O ATOM 39 CB MET A 4 10.431 4.261 -3.566 1.00 51.11 C ATOM 40 CG MET A 4 9.311 3.743 -4.453 1.00 74.22 C ATOM 41 SD MET A 4 9.230 1.942 -4.490 1.00 22.13 S ATOM 42 CE MET A 4 9.159 1.642 -6.254 1.00 62.10 C ATOM 0 H MET A 4 8.707 2.847 -1.920 1.00 52.51 H new ATOM 0 HA MET A 4 10.865 4.841 -1.542 1.00 51.34 H new ATOM 0 HB2 MET A 4 10.801 5.201 -3.974 1.00 51.11 H new ATOM 0 HB3 MET A 4 11.260 3.554 -3.592 1.00 51.11 H new ATOM 0 HG2 MET A 4 8.359 4.138 -4.098 1.00 74.22 H new ATOM 0 HG3 MET A 4 9.453 4.117 -5.467 1.00 74.22 H new ATOM 0 HE1 MET A 4 9.105 0.569 -6.439 1.00 62.10 H new ATOM 0 HE2 MET A 4 8.276 2.126 -6.670 1.00 62.10 H new ATOM 0 HE3 MET A 4 10.053 2.048 -6.728 1.00 62.10 H new ATOM 52 N GLN A 5 8.259 5.633 -0.888 1.00 54.45 N ATOM 53 CA GLN A 5 7.183 6.599 -0.696 1.00 43.21 C ATOM 54 C GLN A 5 7.716 7.893 -0.090 1.00 12.24 C ATOM 55 O GLN A 5 7.054 8.929 -0.136 1.00 14.24 O ATOM 56 CB GLN A 5 6.095 6.010 0.204 1.00 43.35 C ATOM 57 CG GLN A 5 5.067 5.181 -0.549 1.00 30.15 C ATOM 58 CD GLN A 5 3.886 6.005 -1.022 1.00 60.13 C ATOM 59 OE1 GLN A 5 3.618 6.094 -2.221 1.00 15.44 O ATOM 60 NE2 GLN A 5 3.172 6.613 -0.082 1.00 25.34 N ATOM 0 H GLN A 5 8.461 5.058 -0.070 1.00 54.45 H new ATOM 0 HA GLN A 5 6.753 6.826 -1.672 1.00 43.21 H new ATOM 0 HB2 GLN A 5 6.563 5.388 0.967 1.00 43.35 H new ATOM 0 HB3 GLN A 5 5.585 6.822 0.723 1.00 43.35 H new ATOM 0 HG2 GLN A 5 5.544 4.711 -1.409 1.00 30.15 H new ATOM 0 HG3 GLN A 5 4.710 4.378 0.096 1.00 30.15 H new ATOM 0 HE21 GLN A 5 3.430 6.512 0.900 1.00 25.34 H new ATOM 0 HE22 GLN A 5 2.366 7.181 -0.342 1.00 25.34 H new ATOM 69 N GLU A 6 8.916 7.825 0.479 1.00 72.15 N ATOM 70 CA GLU A 6 9.536 8.992 1.095 1.00 32.32 C ATOM 71 C GLU A 6 10.121 9.921 0.035 1.00 34.04 C ATOM 72 O GLU A 6 10.691 9.468 -0.956 1.00 74.45 O ATOM 73 CB GLU A 6 10.632 8.559 2.071 1.00 64.45 C ATOM 74 CG GLU A 6 10.294 7.296 2.845 1.00 63.44 C ATOM 75 CD GLU A 6 10.897 6.051 2.223 1.00 44.14 C ATOM 76 OE1 GLU A 6 11.132 6.054 0.996 1.00 35.11 O ATOM 77 OE2 GLU A 6 11.135 5.074 2.963 1.00 5.14 O ATOM 0 H GLU A 6 9.477 6.975 0.526 1.00 72.15 H new ATOM 0 HA GLU A 6 8.765 9.534 1.643 1.00 32.32 H new ATOM 0 HB2 GLU A 6 11.557 8.399 1.517 1.00 64.45 H new ATOM 0 HB3 GLU A 6 10.819 9.368 2.777 1.00 64.45 H new ATOM 0 HG2 GLU A 6 10.652 7.396 3.870 1.00 63.44 H new ATOM 0 HG3 GLU A 6 9.211 7.184 2.895 1.00 63.44 H new ATOM 84 N ALA A 7 9.974 11.224 0.253 1.00 31.23 N ATOM 85 CA ALA A 7 10.488 12.217 -0.681 1.00 42.22 C ATOM 86 C ALA A 7 11.536 13.104 -0.018 1.00 1.43 C ATOM 87 O ALA A 7 11.411 13.461 1.154 1.00 74.30 O ATOM 88 CB ALA A 7 9.350 13.063 -1.232 1.00 15.25 C ATOM 0 H ALA A 7 9.503 11.616 1.068 1.00 31.23 H new ATOM 0 HA ALA A 7 10.966 11.689 -1.506 1.00 42.22 H new ATOM 0 HB1 ALA A 7 9.749 13.801 -1.928 1.00 15.25 H new ATOM 0 HB2 ALA A 7 8.638 12.421 -1.751 1.00 15.25 H new ATOM 0 HB3 ALA A 7 8.846 13.574 -0.412 1.00 15.25 H new ATOM 94 N VAL A 8 12.571 13.457 -0.774 1.00 54.51 N ATOM 95 CA VAL A 8 13.641 14.304 -0.259 1.00 74.42 C ATOM 96 C VAL A 8 13.799 15.563 -1.103 1.00 43.31 C ATOM 97 O VAL A 8 13.675 15.523 -2.327 1.00 44.33 O ATOM 98 CB VAL A 8 14.984 13.550 -0.223 1.00 54.42 C ATOM 99 CG1 VAL A 8 16.035 14.369 0.510 1.00 65.12 C ATOM 100 CG2 VAL A 8 14.811 12.185 0.425 1.00 1.24 C ATOM 0 H VAL A 8 12.691 13.170 -1.745 1.00 54.51 H new ATOM 0 HA VAL A 8 13.363 14.585 0.757 1.00 74.42 H new ATOM 0 HB VAL A 8 15.325 13.399 -1.247 1.00 54.42 H new ATOM 0 HG11 VAL A 8 16.977 13.821 0.526 1.00 65.12 H new ATOM 0 HG12 VAL A 8 16.177 15.321 -0.002 1.00 65.12 H new ATOM 0 HG13 VAL A 8 15.705 14.553 1.532 1.00 65.12 H new ATOM 0 HG21 VAL A 8 15.769 11.666 0.442 1.00 1.24 H new ATOM 0 HG22 VAL A 8 14.448 12.310 1.445 1.00 1.24 H new ATOM 0 HG23 VAL A 8 14.092 11.599 -0.147 1.00 1.24 H new ATOM 110 N VAL A 9 14.075 16.682 -0.440 1.00 40.14 N ATOM 111 CA VAL A 9 14.253 17.955 -1.129 1.00 73.34 C ATOM 112 C VAL A 9 15.614 18.565 -0.814 1.00 14.12 C ATOM 113 O VAL A 9 16.029 18.619 0.344 1.00 40.50 O ATOM 114 CB VAL A 9 13.150 18.959 -0.746 1.00 2.54 C ATOM 115 CG1 VAL A 9 13.231 20.201 -1.621 1.00 32.03 C ATOM 116 CG2 VAL A 9 11.778 18.311 -0.851 1.00 64.34 C ATOM 0 H VAL A 9 14.180 16.733 0.573 1.00 40.14 H new ATOM 0 HA VAL A 9 14.190 17.749 -2.197 1.00 73.34 H new ATOM 0 HB VAL A 9 13.304 19.263 0.290 1.00 2.54 H new ATOM 0 HG11 VAL A 9 12.444 20.899 -1.336 1.00 32.03 H new ATOM 0 HG12 VAL A 9 14.203 20.676 -1.489 1.00 32.03 H new ATOM 0 HG13 VAL A 9 13.104 19.919 -2.666 1.00 32.03 H new ATOM 0 HG21 VAL A 9 11.011 19.036 -0.577 1.00 64.34 H new ATOM 0 HG22 VAL A 9 11.611 17.976 -1.875 1.00 64.34 H new ATOM 0 HG23 VAL A 9 11.727 17.456 -0.177 1.00 64.34 H new ATOM 126 N LYS A 10 16.305 19.025 -1.851 1.00 73.44 N ATOM 127 CA LYS A 10 17.619 19.634 -1.687 1.00 22.34 C ATOM 128 C LYS A 10 17.559 21.136 -1.946 1.00 22.31 C ATOM 129 O LYS A 10 17.032 21.579 -2.967 1.00 43.22 O ATOM 130 CB LYS A 10 18.629 18.982 -2.634 1.00 74.32 C ATOM 131 CG LYS A 10 18.122 18.841 -4.059 1.00 43.43 C ATOM 132 CD LYS A 10 17.483 17.483 -4.293 1.00 34.04 C ATOM 133 CE LYS A 10 16.406 17.551 -5.365 1.00 31.42 C ATOM 134 NZ LYS A 10 15.697 16.251 -5.522 1.00 31.44 N ATOM 0 H LYS A 10 15.976 18.987 -2.816 1.00 73.44 H new ATOM 0 HA LYS A 10 17.940 19.473 -0.658 1.00 22.34 H new ATOM 0 HB2 LYS A 10 19.544 19.574 -2.640 1.00 74.32 H new ATOM 0 HB3 LYS A 10 18.890 17.996 -2.251 1.00 74.32 H new ATOM 0 HG2 LYS A 10 17.395 19.626 -4.267 1.00 43.43 H new ATOM 0 HG3 LYS A 10 18.949 18.980 -4.755 1.00 43.43 H new ATOM 0 HD2 LYS A 10 18.248 16.766 -4.590 1.00 34.04 H new ATOM 0 HD3 LYS A 10 17.049 17.119 -3.362 1.00 34.04 H new ATOM 0 HE2 LYS A 10 15.686 18.328 -5.108 1.00 31.42 H new ATOM 0 HE3 LYS A 10 16.857 17.836 -6.316 1.00 31.42 H new ATOM 0 HZ1 LYS A 10 14.971 16.339 -6.262 1.00 31.44 H new ATOM 0 HZ2 LYS A 10 16.379 15.514 -5.792 1.00 31.44 H new ATOM 0 HZ3 LYS A 10 15.245 15.991 -4.622 1.00 31.44 H new ATOM 148 N LEU A 11 18.103 21.914 -1.017 1.00 20.12 N ATOM 149 CA LEU A 11 18.113 23.367 -1.146 1.00 31.02 C ATOM 150 C LEU A 11 19.530 23.916 -1.016 1.00 62.45 C ATOM 151 O LEU A 11 20.440 23.215 -0.573 1.00 33.54 O ATOM 152 CB LEU A 11 17.210 23.999 -0.085 1.00 24.04 C ATOM 153 CG LEU A 11 15.723 23.654 -0.176 1.00 45.44 C ATOM 154 CD1 LEU A 11 15.414 22.406 0.635 1.00 14.11 C ATOM 155 CD2 LEU A 11 14.874 24.825 0.297 1.00 5.14 C ATOM 0 H LEU A 11 18.543 21.563 -0.166 1.00 20.12 H new ATOM 0 HA LEU A 11 17.734 23.622 -2.136 1.00 31.02 H new ATOM 0 HB2 LEU A 11 17.573 23.698 0.898 1.00 24.04 H new ATOM 0 HB3 LEU A 11 17.315 25.082 -0.146 1.00 24.04 H new ATOM 0 HG LEU A 11 15.479 23.453 -1.219 1.00 45.44 H new ATOM 0 HD11 LEU A 11 14.351 22.176 0.558 1.00 14.11 H new ATOM 0 HD12 LEU A 11 15.995 21.568 0.249 1.00 14.11 H new ATOM 0 HD13 LEU A 11 15.674 22.577 1.680 1.00 14.11 H new ATOM 0 HD21 LEU A 11 13.819 24.562 0.225 1.00 5.14 H new ATOM 0 HD22 LEU A 11 15.120 25.058 1.333 1.00 5.14 H new ATOM 0 HD23 LEU A 11 15.074 25.695 -0.328 1.00 5.14 H new ATOM 167 N ARG A 12 19.710 25.174 -1.405 1.00 70.32 N ATOM 168 CA ARG A 12 21.016 25.817 -1.332 1.00 23.22 C ATOM 169 C ARG A 12 21.139 26.654 -0.062 1.00 45.21 C ATOM 170 O ARG A 12 20.362 27.582 0.160 1.00 50.51 O ATOM 171 CB ARG A 12 21.244 26.698 -2.561 1.00 43.40 C ATOM 172 CG ARG A 12 22.704 26.806 -2.971 1.00 72.33 C ATOM 173 CD ARG A 12 23.082 25.725 -3.972 1.00 40.45 C ATOM 174 NE ARG A 12 24.198 26.133 -4.822 1.00 20.31 N ATOM 175 CZ ARG A 12 24.526 25.515 -5.951 1.00 73.12 C ATOM 176 NH1 ARG A 12 23.826 24.467 -6.365 1.00 10.42 N ATOM 177 NH2 ARG A 12 25.555 25.945 -6.670 1.00 11.13 N ATOM 0 H ARG A 12 18.968 25.768 -1.774 1.00 70.32 H new ATOM 0 HA ARG A 12 21.777 25.037 -1.307 1.00 23.22 H new ATOM 0 HB2 ARG A 12 20.670 26.297 -3.396 1.00 43.40 H new ATOM 0 HB3 ARG A 12 20.858 27.697 -2.358 1.00 43.40 H new ATOM 0 HG2 ARG A 12 22.889 27.788 -3.407 1.00 72.33 H new ATOM 0 HG3 ARG A 12 23.338 26.724 -2.088 1.00 72.33 H new ATOM 0 HD2 ARG A 12 23.348 24.813 -3.438 1.00 40.45 H new ATOM 0 HD3 ARG A 12 22.219 25.490 -4.595 1.00 40.45 H new ATOM 0 HE ARG A 12 24.756 26.936 -4.533 1.00 20.31 H new ATOM 0 HH11 ARG A 12 23.034 24.134 -5.816 1.00 10.42 H new ATOM 0 HH12 ARG A 12 24.080 23.994 -7.232 1.00 10.42 H new ATOM 0 HH21 ARG A 12 26.095 26.751 -6.356 1.00 11.13 H new ATOM 0 HH22 ARG A 12 25.806 25.469 -7.537 1.00 11.13 H new ATOM 191 N VAL A 13 22.122 26.319 0.769 1.00 54.13 N ATOM 192 CA VAL A 13 22.347 27.040 2.016 1.00 63.02 C ATOM 193 C VAL A 13 23.153 28.312 1.777 1.00 23.22 C ATOM 194 O VAL A 13 24.132 28.307 1.032 1.00 24.31 O ATOM 195 CB VAL A 13 23.085 26.163 3.045 1.00 0.32 C ATOM 196 CG1 VAL A 13 23.020 26.794 4.428 1.00 71.31 C ATOM 197 CG2 VAL A 13 22.502 24.758 3.063 1.00 42.32 C ATOM 0 H VAL A 13 22.774 25.553 0.601 1.00 54.13 H new ATOM 0 HA VAL A 13 21.366 27.304 2.411 1.00 63.02 H new ATOM 0 HB VAL A 13 24.133 26.093 2.752 1.00 0.32 H new ATOM 0 HG11 VAL A 13 23.547 26.161 5.142 1.00 71.31 H new ATOM 0 HG12 VAL A 13 23.488 27.778 4.401 1.00 71.31 H new ATOM 0 HG13 VAL A 13 21.978 26.896 4.733 1.00 71.31 H new ATOM 0 HG21 VAL A 13 23.035 24.152 3.796 1.00 42.32 H new ATOM 0 HG22 VAL A 13 21.446 24.805 3.331 1.00 42.32 H new ATOM 0 HG23 VAL A 13 22.606 24.308 2.076 1.00 42.32 H new ATOM 207 N GLU A 14 22.734 29.400 2.416 1.00 63.02 N ATOM 208 CA GLU A 14 23.418 30.680 2.272 1.00 31.11 C ATOM 209 C GLU A 14 24.246 30.997 3.514 1.00 21.30 C ATOM 210 O GLU A 14 25.171 31.806 3.467 1.00 42.43 O ATOM 211 CB GLU A 14 22.405 31.799 2.022 1.00 10.21 C ATOM 212 CG GLU A 14 22.620 32.533 0.709 1.00 24.11 C ATOM 213 CD GLU A 14 23.793 33.493 0.763 1.00 62.42 C ATOM 214 OE1 GLU A 14 24.078 34.022 1.857 1.00 31.12 O ATOM 215 OE2 GLU A 14 24.427 33.714 -0.291 1.00 34.23 O ATOM 0 H GLU A 14 21.925 29.421 3.037 1.00 63.02 H new ATOM 0 HA GLU A 14 24.090 30.610 1.417 1.00 31.11 H new ATOM 0 HB2 GLU A 14 21.400 31.377 2.032 1.00 10.21 H new ATOM 0 HB3 GLU A 14 22.458 32.515 2.842 1.00 10.21 H new ATOM 0 HG2 GLU A 14 22.786 31.806 -0.086 1.00 24.11 H new ATOM 0 HG3 GLU A 14 21.715 33.084 0.453 1.00 24.11 H new ATOM 222 N GLY A 15 23.906 30.352 4.626 1.00 74.21 N ATOM 223 CA GLY A 15 24.626 30.578 5.865 1.00 2.10 C ATOM 224 C GLY A 15 25.857 29.702 5.988 1.00 10.04 C ATOM 225 O GLY A 15 26.972 30.203 6.132 1.00 53.23 O ATOM 0 H GLY A 15 23.144 29.677 4.690 1.00 74.21 H new ATOM 0 HA2 GLY A 15 24.922 31.625 5.924 1.00 2.10 H new ATOM 0 HA3 GLY A 15 23.962 30.386 6.708 1.00 2.10 H new ATOM 229 N MET A 16 25.655 28.390 5.934 1.00 30.42 N ATOM 230 CA MET A 16 26.758 27.442 6.041 1.00 22.14 C ATOM 231 C MET A 16 27.886 27.809 5.082 1.00 54.22 C ATOM 232 O MET A 16 27.642 28.305 3.981 1.00 12.43 O ATOM 233 CB MET A 16 26.269 26.022 5.752 1.00 73.30 C ATOM 234 CG MET A 16 27.377 24.981 5.771 1.00 13.22 C ATOM 235 SD MET A 16 26.883 23.456 6.597 1.00 42.04 S ATOM 236 CE MET A 16 25.699 22.803 5.422 1.00 65.03 C ATOM 0 H MET A 16 24.738 27.959 5.817 1.00 30.42 H new ATOM 0 HA MET A 16 27.143 27.485 7.060 1.00 22.14 H new ATOM 0 HB2 MET A 16 25.514 25.750 6.489 1.00 73.30 H new ATOM 0 HB3 MET A 16 25.783 26.006 4.776 1.00 73.30 H new ATOM 0 HG2 MET A 16 27.675 24.755 4.747 1.00 13.22 H new ATOM 0 HG3 MET A 16 28.251 25.395 6.274 1.00 13.22 H new ATOM 0 HE1 MET A 16 24.715 22.751 5.888 1.00 65.03 H new ATOM 0 HE2 MET A 16 25.654 23.456 4.550 1.00 65.03 H new ATOM 0 HE3 MET A 16 26.007 21.804 5.112 1.00 65.03 H new ATOM 246 N THR A 17 29.121 27.563 5.505 1.00 25.34 N ATOM 247 CA THR A 17 30.286 27.869 4.684 1.00 21.35 C ATOM 248 C THR A 17 31.322 26.753 4.762 1.00 0.11 C ATOM 249 O THR A 17 31.480 25.973 3.822 1.00 35.12 O ATOM 250 CB THR A 17 30.943 29.194 5.113 1.00 11.42 C ATOM 251 OG1 THR A 17 31.077 29.237 6.538 1.00 34.52 O ATOM 252 CG2 THR A 17 30.120 30.384 4.641 1.00 63.44 C ATOM 0 H THR A 17 29.341 27.152 6.412 1.00 25.34 H new ATOM 0 HA THR A 17 29.933 27.963 3.657 1.00 21.35 H new ATOM 0 HB THR A 17 31.930 29.249 4.654 1.00 11.42 H new ATOM 0 HG1 THR A 17 31.497 30.082 6.802 1.00 34.52 H new ATOM 0 HG21 THR A 17 30.604 31.309 4.956 1.00 63.44 H new ATOM 0 HG22 THR A 17 30.044 30.366 3.554 1.00 63.44 H new ATOM 0 HG23 THR A 17 29.122 30.331 5.075 1.00 63.44 H new ATOM 260 N CYS A 18 32.025 26.683 5.887 1.00 62.52 N ATOM 261 CA CYS A 18 33.047 25.661 6.087 1.00 42.13 C ATOM 262 C CYS A 18 32.774 24.859 7.355 1.00 13.41 C ATOM 263 O CYS A 18 33.012 23.653 7.401 1.00 4.01 O ATOM 264 CB CYS A 18 34.432 26.304 6.164 1.00 5.42 C ATOM 265 SG CYS A 18 34.962 27.104 4.631 1.00 31.32 S ATOM 0 H CYS A 18 31.906 27.321 6.674 1.00 62.52 H new ATOM 0 HA CYS A 18 33.017 24.981 5.236 1.00 42.13 H new ATOM 0 HB2 CYS A 18 34.434 27.042 6.966 1.00 5.42 H new ATOM 0 HB3 CYS A 18 35.161 25.540 6.433 1.00 5.42 H new ATOM 0 HG CYS A 18 36.144 27.620 4.797 1.00 31.32 H new ATOM 271 N GLN A 19 32.274 25.539 8.382 1.00 34.11 N ATOM 272 CA GLN A 19 31.970 24.890 9.652 1.00 63.41 C ATOM 273 C GLN A 19 31.101 23.655 9.438 1.00 13.11 C ATOM 274 O GLN A 19 30.272 23.618 8.529 1.00 72.42 O ATOM 275 CB GLN A 19 31.266 25.868 10.593 1.00 34.34 C ATOM 276 CG GLN A 19 32.221 26.698 11.435 1.00 64.20 C ATOM 277 CD GLN A 19 32.826 25.910 12.580 1.00 34.34 C ATOM 278 OE1 GLN A 19 32.139 25.565 13.542 1.00 33.14 O ATOM 279 NE2 GLN A 19 34.118 25.620 12.483 1.00 32.40 N ATOM 0 H GLN A 19 32.071 26.538 8.359 1.00 34.11 H new ATOM 0 HA GLN A 19 32.910 24.575 10.105 1.00 63.41 H new ATOM 0 HB2 GLN A 19 30.639 26.537 10.004 1.00 34.34 H new ATOM 0 HB3 GLN A 19 30.604 25.310 11.254 1.00 34.34 H new ATOM 0 HG2 GLN A 19 33.020 27.081 10.800 1.00 64.20 H new ATOM 0 HG3 GLN A 19 31.690 27.562 11.834 1.00 64.20 H new ATOM 0 HE21 GLN A 19 34.650 25.926 11.668 1.00 32.40 H new ATOM 0 HE22 GLN A 19 34.579 25.091 13.224 1.00 32.40 H new ATOM 288 N SER A 20 31.296 22.647 10.282 1.00 72.55 N ATOM 289 CA SER A 20 30.532 21.408 10.182 1.00 1.32 C ATOM 290 C SER A 20 29.255 21.489 11.013 1.00 2.43 C ATOM 291 O SER A 20 28.946 20.582 11.787 1.00 45.10 O ATOM 292 CB SER A 20 31.381 20.222 10.645 1.00 53.34 C ATOM 293 OG SER A 20 31.537 20.226 12.053 1.00 23.40 O ATOM 0 H SER A 20 31.976 22.663 11.042 1.00 72.55 H new ATOM 0 HA SER A 20 30.257 21.263 9.137 1.00 1.32 H new ATOM 0 HB2 SER A 20 30.912 19.290 10.331 1.00 53.34 H new ATOM 0 HB3 SER A 20 32.360 20.263 10.167 1.00 53.34 H new ATOM 0 HG SER A 20 30.662 20.116 12.479 1.00 23.40 H new ATOM 299 N CYS A 21 28.518 22.582 10.848 1.00 73.43 N ATOM 300 CA CYS A 21 27.274 22.783 11.583 1.00 40.11 C ATOM 301 C CYS A 21 26.254 21.705 11.232 1.00 61.22 C ATOM 302 O CYS A 21 25.274 21.505 11.949 1.00 0.05 O ATOM 303 CB CYS A 21 26.697 24.166 11.280 1.00 54.42 C ATOM 304 SG CYS A 21 26.979 25.386 12.584 1.00 3.30 S ATOM 0 H CYS A 21 28.760 23.342 10.212 1.00 73.43 H new ATOM 0 HA CYS A 21 27.495 22.715 12.648 1.00 40.11 H new ATOM 0 HB2 CYS A 21 27.134 24.535 10.352 1.00 54.42 H new ATOM 0 HB3 CYS A 21 25.624 24.071 11.112 1.00 54.42 H new ATOM 0 HG CYS A 21 26.456 26.524 12.234 1.00 3.30 H new ATOM 310 N VAL A 22 26.491 21.013 10.122 1.00 74.32 N ATOM 311 CA VAL A 22 25.593 19.955 9.674 1.00 34.24 C ATOM 312 C VAL A 22 25.315 18.960 10.795 1.00 35.53 C ATOM 313 O VAL A 22 24.171 18.563 11.018 1.00 54.31 O ATOM 314 CB VAL A 22 26.174 19.199 8.464 1.00 12.55 C ATOM 315 CG1 VAL A 22 25.210 18.120 7.995 1.00 0.23 C ATOM 316 CG2 VAL A 22 26.493 20.168 7.336 1.00 62.13 C ATOM 0 H VAL A 22 27.297 21.166 9.516 1.00 74.32 H new ATOM 0 HA VAL A 22 24.661 20.436 9.378 1.00 34.24 H new ATOM 0 HB VAL A 22 27.101 18.715 8.770 1.00 12.55 H new ATOM 0 HG11 VAL A 22 25.638 17.597 7.140 1.00 0.23 H new ATOM 0 HG12 VAL A 22 25.036 17.411 8.804 1.00 0.23 H new ATOM 0 HG13 VAL A 22 24.265 18.578 7.704 1.00 0.23 H new ATOM 0 HG21 VAL A 22 26.903 19.618 6.489 1.00 62.13 H new ATOM 0 HG22 VAL A 22 25.582 20.682 7.029 1.00 62.13 H new ATOM 0 HG23 VAL A 22 27.223 20.900 7.681 1.00 62.13 H new ATOM 326 N SER A 23 26.369 18.559 11.499 1.00 52.40 N ATOM 327 CA SER A 23 26.239 17.607 12.596 1.00 41.23 C ATOM 328 C SER A 23 25.151 18.047 13.571 1.00 24.21 C ATOM 329 O SER A 23 24.403 17.223 14.097 1.00 65.53 O ATOM 330 CB SER A 23 27.572 17.461 13.332 1.00 31.05 C ATOM 331 OG SER A 23 28.178 16.212 13.047 1.00 42.42 O ATOM 0 H SER A 23 27.323 18.879 11.329 1.00 52.40 H new ATOM 0 HA SER A 23 25.957 16.642 12.176 1.00 41.23 H new ATOM 0 HB2 SER A 23 28.243 18.269 13.040 1.00 31.05 H new ATOM 0 HB3 SER A 23 27.410 17.554 14.406 1.00 31.05 H new ATOM 0 HG SER A 23 29.029 16.144 13.528 1.00 42.42 H new ATOM 337 N SER A 24 25.070 19.352 13.808 1.00 42.21 N ATOM 338 CA SER A 24 24.077 19.903 14.723 1.00 61.22 C ATOM 339 C SER A 24 22.670 19.755 14.151 1.00 25.40 C ATOM 340 O SER A 24 21.723 19.447 14.876 1.00 45.53 O ATOM 341 CB SER A 24 24.373 21.377 15.003 1.00 2.33 C ATOM 342 OG SER A 24 23.455 21.913 15.940 1.00 33.32 O ATOM 0 H SER A 24 25.680 20.048 13.379 1.00 42.21 H new ATOM 0 HA SER A 24 24.131 19.345 15.658 1.00 61.22 H new ATOM 0 HB2 SER A 24 25.389 21.481 15.384 1.00 2.33 H new ATOM 0 HB3 SER A 24 24.322 21.944 14.074 1.00 2.33 H new ATOM 0 HG SER A 24 23.667 22.856 16.103 1.00 33.32 H new ATOM 348 N ILE A 25 22.543 19.975 12.847 1.00 14.20 N ATOM 349 CA ILE A 25 21.253 19.865 12.177 1.00 13.41 C ATOM 350 C ILE A 25 20.737 18.431 12.208 1.00 23.45 C ATOM 351 O ILE A 25 19.536 18.190 12.093 1.00 42.03 O ATOM 352 CB ILE A 25 21.337 20.337 10.713 1.00 14.04 C ATOM 353 CG1 ILE A 25 21.814 21.789 10.649 1.00 3.22 C ATOM 354 CG2 ILE A 25 19.985 20.188 10.031 1.00 63.45 C ATOM 355 CD1 ILE A 25 22.463 22.154 9.332 1.00 1.13 C ATOM 0 H ILE A 25 23.317 20.230 12.234 1.00 14.20 H new ATOM 0 HA ILE A 25 20.561 20.509 12.719 1.00 13.41 H new ATOM 0 HB ILE A 25 22.059 19.713 10.186 1.00 14.04 H new ATOM 0 HG12 ILE A 25 20.965 22.450 10.822 1.00 3.22 H new ATOM 0 HG13 ILE A 25 22.525 21.965 11.456 1.00 3.22 H new ATOM 0 HG21 ILE A 25 20.060 20.525 8.997 1.00 63.45 H new ATOM 0 HG22 ILE A 25 19.681 19.141 10.050 1.00 63.45 H new ATOM 0 HG23 ILE A 25 19.244 20.790 10.557 1.00 63.45 H new ATOM 0 HD11 ILE A 25 22.777 23.198 9.358 1.00 1.13 H new ATOM 0 HD12 ILE A 25 23.332 21.518 9.166 1.00 1.13 H new ATOM 0 HD13 ILE A 25 21.748 22.010 8.522 1.00 1.13 H new ATOM 367 N GLU A 26 21.654 17.481 12.368 1.00 44.45 N ATOM 368 CA GLU A 26 21.292 16.070 12.415 1.00 34.13 C ATOM 369 C GLU A 26 20.390 15.780 13.612 1.00 54.24 C ATOM 370 O GLU A 26 19.456 14.985 13.520 1.00 35.24 O ATOM 371 CB GLU A 26 22.548 15.200 12.487 1.00 20.33 C ATOM 372 CG GLU A 26 22.663 14.201 11.348 1.00 34.53 C ATOM 373 CD GLU A 26 23.872 13.296 11.485 1.00 35.45 C ATOM 374 OE1 GLU A 26 24.766 13.620 12.295 1.00 34.20 O ATOM 375 OE2 GLU A 26 23.924 12.264 10.784 1.00 51.13 O ATOM 0 H GLU A 26 22.653 17.664 12.467 1.00 44.45 H new ATOM 0 HA GLU A 26 20.745 15.831 11.503 1.00 34.13 H new ATOM 0 HB2 GLU A 26 23.427 15.845 12.484 1.00 20.33 H new ATOM 0 HB3 GLU A 26 22.552 14.660 13.434 1.00 20.33 H new ATOM 0 HG2 GLU A 26 21.760 13.592 11.312 1.00 34.53 H new ATOM 0 HG3 GLU A 26 22.722 14.739 10.402 1.00 34.53 H new ATOM 382 N GLY A 27 20.678 16.432 14.734 1.00 15.12 N ATOM 383 CA GLY A 27 19.885 16.231 15.933 1.00 54.01 C ATOM 384 C GLY A 27 18.451 16.694 15.764 1.00 2.24 C ATOM 385 O GLY A 27 17.558 16.251 16.487 1.00 62.01 O ATOM 0 H GLY A 27 21.446 17.096 14.834 1.00 15.12 H new ATOM 0 HA2 GLY A 27 19.893 15.174 16.197 1.00 54.01 H new ATOM 0 HA3 GLY A 27 20.342 16.771 16.762 1.00 54.01 H new ATOM 389 N LYS A 28 18.229 17.590 14.809 1.00 41.23 N ATOM 390 CA LYS A 28 16.894 18.115 14.547 1.00 43.23 C ATOM 391 C LYS A 28 15.944 17.000 14.123 1.00 22.55 C ATOM 392 O LYS A 28 14.815 16.916 14.606 1.00 31.33 O ATOM 393 CB LYS A 28 16.951 19.191 13.460 1.00 63.25 C ATOM 394 CG LYS A 28 17.696 20.445 13.883 1.00 14.13 C ATOM 395 CD LYS A 28 17.071 21.074 15.117 1.00 13.41 C ATOM 396 CE LYS A 28 17.802 20.661 16.385 1.00 43.11 C ATOM 397 NZ LYS A 28 17.855 21.767 17.381 1.00 53.13 N ATOM 0 H LYS A 28 18.957 17.968 14.203 1.00 41.23 H new ATOM 0 HA LYS A 28 16.518 18.558 15.469 1.00 43.23 H new ATOM 0 HB2 LYS A 28 17.431 18.775 12.574 1.00 63.25 H new ATOM 0 HB3 LYS A 28 15.934 19.461 13.175 1.00 63.25 H new ATOM 0 HG2 LYS A 28 18.738 20.199 14.087 1.00 14.13 H new ATOM 0 HG3 LYS A 28 17.693 21.165 13.065 1.00 14.13 H new ATOM 0 HD2 LYS A 28 17.090 22.160 15.022 1.00 13.41 H new ATOM 0 HD3 LYS A 28 16.024 20.778 15.187 1.00 13.41 H new ATOM 0 HE2 LYS A 28 17.303 19.798 16.827 1.00 43.11 H new ATOM 0 HE3 LYS A 28 18.816 20.349 16.134 1.00 43.11 H new ATOM 0 HZ1 LYS A 28 18.361 21.445 18.231 1.00 53.13 H new ATOM 0 HZ2 LYS A 28 18.353 22.582 16.969 1.00 53.13 H new ATOM 0 HZ3 LYS A 28 16.888 22.048 17.640 1.00 53.13 H new ATOM 411 N VAL A 29 16.410 16.143 13.220 1.00 55.25 N ATOM 412 CA VAL A 29 15.602 15.031 12.733 1.00 20.24 C ATOM 413 C VAL A 29 15.060 14.198 13.890 1.00 3.31 C ATOM 414 O VAL A 29 13.882 13.842 13.913 1.00 0.14 O ATOM 415 CB VAL A 29 16.412 14.118 11.794 1.00 72.04 C ATOM 416 CG1 VAL A 29 15.571 12.933 11.345 1.00 73.25 C ATOM 417 CG2 VAL A 29 16.921 14.905 10.596 1.00 43.13 C ATOM 0 H VAL A 29 17.343 16.197 12.811 1.00 55.25 H new ATOM 0 HA VAL A 29 14.769 15.464 12.178 1.00 20.24 H new ATOM 0 HB VAL A 29 17.273 13.735 12.341 1.00 72.04 H new ATOM 0 HG11 VAL A 29 16.160 12.299 10.682 1.00 73.25 H new ATOM 0 HG12 VAL A 29 15.260 12.357 12.216 1.00 73.25 H new ATOM 0 HG13 VAL A 29 14.690 13.293 10.814 1.00 73.25 H new ATOM 0 HG21 VAL A 29 17.491 14.245 9.943 1.00 43.13 H new ATOM 0 HG22 VAL A 29 16.075 15.318 10.046 1.00 43.13 H new ATOM 0 HG23 VAL A 29 17.562 15.717 10.940 1.00 43.13 H new ATOM 427 N ARG A 30 15.928 13.892 14.849 1.00 62.13 N ATOM 428 CA ARG A 30 15.537 13.100 16.009 1.00 41.40 C ATOM 429 C ARG A 30 14.338 13.727 16.715 1.00 23.23 C ATOM 430 O ARG A 30 13.558 13.035 17.370 1.00 71.14 O ATOM 431 CB ARG A 30 16.708 12.973 16.985 1.00 44.53 C ATOM 432 CG ARG A 30 16.649 11.724 17.849 1.00 51.34 C ATOM 433 CD ARG A 30 16.986 10.476 17.047 1.00 14.44 C ATOM 434 NE ARG A 30 16.476 9.264 17.682 1.00 13.14 N ATOM 435 CZ ARG A 30 16.473 8.072 17.096 1.00 42.44 C ATOM 436 NH1 ARG A 30 16.951 7.934 15.867 1.00 65.12 N ATOM 437 NH2 ARG A 30 15.992 7.016 17.738 1.00 1.04 N ATOM 0 H ARG A 30 16.906 14.180 14.845 1.00 62.13 H new ATOM 0 HA ARG A 30 15.254 12.107 15.661 1.00 41.40 H new ATOM 0 HB2 ARG A 30 17.641 12.971 16.421 1.00 44.53 H new ATOM 0 HB3 ARG A 30 16.728 13.851 17.631 1.00 44.53 H new ATOM 0 HG2 ARG A 30 17.346 11.822 18.681 1.00 51.34 H new ATOM 0 HG3 ARG A 30 15.652 11.624 18.278 1.00 51.34 H new ATOM 0 HD2 ARG A 30 16.566 10.565 16.045 1.00 14.44 H new ATOM 0 HD3 ARG A 30 18.067 10.399 16.934 1.00 14.44 H new ATOM 0 HE ARG A 30 16.101 9.337 18.628 1.00 13.14 H new ATOM 0 HH11 ARG A 30 17.322 8.744 15.370 1.00 65.12 H new ATOM 0 HH12 ARG A 30 16.948 7.018 15.418 1.00 65.12 H new ATOM 0 HH21 ARG A 30 15.623 7.118 18.684 1.00 1.04 H new ATOM 0 HH22 ARG A 30 15.991 6.102 17.286 1.00 1.04 H new ATOM 451 N LYS A 31 14.198 15.041 16.579 1.00 3.11 N ATOM 452 CA LYS A 31 13.095 15.762 17.203 1.00 41.22 C ATOM 453 C LYS A 31 11.933 15.928 16.228 1.00 23.33 C ATOM 454 O LYS A 31 10.803 16.203 16.634 1.00 25.15 O ATOM 455 CB LYS A 31 13.566 17.135 17.689 1.00 21.32 C ATOM 456 CG LYS A 31 14.776 17.073 18.605 1.00 45.13 C ATOM 457 CD LYS A 31 14.491 16.253 19.851 1.00 24.54 C ATOM 458 CE LYS A 31 15.690 16.226 20.787 1.00 22.22 C ATOM 459 NZ LYS A 31 15.623 15.085 21.742 1.00 62.21 N ATOM 0 H LYS A 31 14.835 15.629 16.042 1.00 3.11 H new ATOM 0 HA LYS A 31 12.750 15.179 18.057 1.00 41.22 H new ATOM 0 HB2 LYS A 31 13.806 17.754 16.825 1.00 21.32 H new ATOM 0 HB3 LYS A 31 12.747 17.626 18.215 1.00 21.32 H new ATOM 0 HG2 LYS A 31 15.619 16.638 18.067 1.00 45.13 H new ATOM 0 HG3 LYS A 31 15.068 18.083 18.892 1.00 45.13 H new ATOM 0 HD2 LYS A 31 13.630 16.670 20.373 1.00 24.54 H new ATOM 0 HD3 LYS A 31 14.228 15.234 19.565 1.00 24.54 H new ATOM 0 HE2 LYS A 31 16.606 16.156 20.201 1.00 22.22 H new ATOM 0 HE3 LYS A 31 15.738 17.162 21.343 1.00 22.22 H new ATOM 0 HZ1 LYS A 31 16.458 15.102 22.362 1.00 62.21 H new ATOM 0 HZ2 LYS A 31 14.761 15.165 22.319 1.00 62.21 H new ATOM 0 HZ3 LYS A 31 15.603 14.190 21.213 1.00 62.21 H new ATOM 473 N LEU A 32 12.217 15.757 14.942 1.00 44.11 N ATOM 474 CA LEU A 32 11.195 15.886 13.909 1.00 22.11 C ATOM 475 C LEU A 32 10.327 14.634 13.843 1.00 34.23 C ATOM 476 O LEU A 32 10.831 13.513 13.908 1.00 45.33 O ATOM 477 CB LEU A 32 11.846 16.141 12.549 1.00 62.15 C ATOM 478 CG LEU A 32 11.729 17.565 12.005 1.00 41.22 C ATOM 479 CD1 LEU A 32 10.301 17.855 11.571 1.00 13.31 C ATOM 480 CD2 LEU A 32 12.187 18.574 13.048 1.00 31.23 C ATOM 0 H LEU A 32 13.146 15.529 14.589 1.00 44.11 H new ATOM 0 HA LEU A 32 10.559 16.734 14.165 1.00 22.11 H new ATOM 0 HB2 LEU A 32 12.904 15.887 12.622 1.00 62.15 H new ATOM 0 HB3 LEU A 32 11.403 15.459 11.823 1.00 62.15 H new ATOM 0 HG LEU A 32 12.377 17.655 11.133 1.00 41.22 H new ATOM 0 HD11 LEU A 32 10.237 18.873 11.187 1.00 13.31 H new ATOM 0 HD12 LEU A 32 10.008 17.153 10.790 1.00 13.31 H new ATOM 0 HD13 LEU A 32 9.632 17.747 12.425 1.00 13.31 H new ATOM 0 HD21 LEU A 32 12.097 19.582 12.643 1.00 31.23 H new ATOM 0 HD22 LEU A 32 11.566 18.484 13.939 1.00 31.23 H new ATOM 0 HD23 LEU A 32 13.227 18.380 13.310 1.00 31.23 H new ATOM 492 N GLN A 33 9.019 14.833 13.713 1.00 40.12 N ATOM 493 CA GLN A 33 8.081 13.719 13.637 1.00 51.44 C ATOM 494 C GLN A 33 7.945 13.220 12.202 1.00 35.31 C ATOM 495 O GLN A 33 7.822 12.019 11.961 1.00 5.52 O ATOM 496 CB GLN A 33 6.712 14.140 14.175 1.00 44.10 C ATOM 497 CG GLN A 33 5.636 13.082 13.995 1.00 61.31 C ATOM 498 CD GLN A 33 5.909 11.828 14.803 1.00 42.42 C ATOM 499 OE1 GLN A 33 6.475 10.860 14.295 1.00 21.33 O ATOM 500 NE2 GLN A 33 5.508 11.840 16.069 1.00 53.45 N ATOM 0 H GLN A 33 8.585 15.755 13.658 1.00 40.12 H new ATOM 0 HA GLN A 33 8.470 12.906 14.250 1.00 51.44 H new ATOM 0 HB2 GLN A 33 6.804 14.376 15.235 1.00 44.10 H new ATOM 0 HB3 GLN A 33 6.399 15.054 13.671 1.00 44.10 H new ATOM 0 HG2 GLN A 33 4.672 13.496 14.289 1.00 61.31 H new ATOM 0 HG3 GLN A 33 5.562 12.820 12.939 1.00 61.31 H new ATOM 0 HE21 GLN A 33 5.043 12.664 16.449 1.00 53.45 H new ATOM 0 HE22 GLN A 33 5.666 11.025 16.662 1.00 53.45 H new ATOM 509 N GLY A 34 7.966 14.150 11.252 1.00 73.40 N ATOM 510 CA GLY A 34 7.843 13.784 9.853 1.00 31.30 C ATOM 511 C GLY A 34 9.183 13.476 9.214 1.00 13.33 C ATOM 512 O GLY A 34 9.424 12.354 8.769 1.00 32.04 O ATOM 0 H GLY A 34 8.066 15.150 11.426 1.00 73.40 H new ATOM 0 HA2 GLY A 34 7.193 12.914 9.764 1.00 31.30 H new ATOM 0 HA3 GLY A 34 7.363 14.597 9.309 1.00 31.30 H new ATOM 516 N VAL A 35 10.057 14.476 9.167 1.00 43.22 N ATOM 517 CA VAL A 35 11.380 14.308 8.577 1.00 21.51 C ATOM 518 C VAL A 35 11.988 12.965 8.967 1.00 44.02 C ATOM 519 O VAL A 35 11.866 12.524 10.110 1.00 71.04 O ATOM 520 CB VAL A 35 12.335 15.436 9.009 1.00 41.21 C ATOM 521 CG1 VAL A 35 13.337 14.925 10.033 1.00 0.51 C ATOM 522 CG2 VAL A 35 13.048 16.022 7.799 1.00 21.05 C ATOM 0 H VAL A 35 9.873 15.411 9.530 1.00 43.22 H new ATOM 0 HA VAL A 35 11.252 14.346 7.495 1.00 21.51 H new ATOM 0 HB VAL A 35 11.748 16.227 9.475 1.00 41.21 H new ATOM 0 HG11 VAL A 35 14.003 15.736 10.326 1.00 0.51 H new ATOM 0 HG12 VAL A 35 12.805 14.557 10.910 1.00 0.51 H new ATOM 0 HG13 VAL A 35 13.922 14.115 9.597 1.00 0.51 H new ATOM 0 HG21 VAL A 35 13.719 16.818 8.122 1.00 21.05 H new ATOM 0 HG22 VAL A 35 13.624 15.241 7.303 1.00 21.05 H new ATOM 0 HG23 VAL A 35 12.312 16.427 7.104 1.00 21.05 H new ATOM 532 N VAL A 36 12.646 12.319 8.009 1.00 75.12 N ATOM 533 CA VAL A 36 13.275 11.027 8.252 1.00 62.53 C ATOM 534 C VAL A 36 14.733 11.195 8.666 1.00 34.54 C ATOM 535 O VAL A 36 15.177 10.615 9.657 1.00 25.31 O ATOM 536 CB VAL A 36 13.209 10.126 7.004 1.00 54.34 C ATOM 537 CG1 VAL A 36 13.458 8.674 7.379 1.00 65.41 C ATOM 538 CG2 VAL A 36 11.866 10.282 6.306 1.00 12.01 C ATOM 0 H VAL A 36 12.757 12.670 7.058 1.00 75.12 H new ATOM 0 HA VAL A 36 12.721 10.554 9.063 1.00 62.53 H new ATOM 0 HB VAL A 36 13.992 10.436 6.312 1.00 54.34 H new ATOM 0 HG11 VAL A 36 13.407 8.053 6.484 1.00 65.41 H new ATOM 0 HG12 VAL A 36 14.445 8.579 7.831 1.00 65.41 H new ATOM 0 HG13 VAL A 36 12.700 8.347 8.091 1.00 65.41 H new ATOM 0 HG21 VAL A 36 11.836 9.639 5.427 1.00 12.01 H new ATOM 0 HG22 VAL A 36 11.066 9.999 6.990 1.00 12.01 H new ATOM 0 HG23 VAL A 36 11.733 11.320 6.001 1.00 12.01 H new ATOM 548 N ARG A 37 15.471 11.992 7.902 1.00 4.21 N ATOM 549 CA ARG A 37 16.880 12.236 8.190 1.00 53.43 C ATOM 550 C ARG A 37 17.413 13.395 7.352 1.00 15.33 C ATOM 551 O ARG A 37 16.735 13.885 6.449 1.00 40.24 O ATOM 552 CB ARG A 37 17.703 10.976 7.919 1.00 45.25 C ATOM 553 CG ARG A 37 17.820 10.631 6.443 1.00 65.20 C ATOM 554 CD ARG A 37 18.543 9.309 6.236 1.00 61.11 C ATOM 555 NE ARG A 37 17.707 8.166 6.595 1.00 45.23 N ATOM 556 CZ ARG A 37 18.125 6.906 6.545 1.00 52.12 C ATOM 557 NH1 ARG A 37 19.361 6.629 6.154 1.00 71.33 N ATOM 558 NH2 ARG A 37 17.305 5.920 6.887 1.00 2.43 N ATOM 0 H ARG A 37 15.118 12.480 7.079 1.00 4.21 H new ATOM 0 HA ARG A 37 16.970 12.501 9.244 1.00 53.43 H new ATOM 0 HB2 ARG A 37 18.703 11.109 8.333 1.00 45.25 H new ATOM 0 HB3 ARG A 37 17.250 10.136 8.445 1.00 45.25 H new ATOM 0 HG2 ARG A 37 16.825 10.576 6.001 1.00 65.20 H new ATOM 0 HG3 ARG A 37 18.356 11.425 5.924 1.00 65.20 H new ATOM 0 HD2 ARG A 37 18.848 9.222 5.193 1.00 61.11 H new ATOM 0 HD3 ARG A 37 19.453 9.295 6.836 1.00 61.11 H new ATOM 0 HE ARG A 37 16.750 8.345 6.901 1.00 45.23 H new ATOM 0 HH11 ARG A 37 19.994 7.384 5.891 1.00 71.33 H new ATOM 0 HH12 ARG A 37 19.679 5.661 6.117 1.00 71.33 H new ATOM 0 HH21 ARG A 37 16.353 6.129 7.188 1.00 2.43 H new ATOM 0 HH22 ARG A 37 17.626 4.953 6.848 1.00 2.43 H new ATOM 572 N VAL A 38 18.631 13.830 7.660 1.00 73.35 N ATOM 573 CA VAL A 38 19.255 14.930 6.935 1.00 1.44 C ATOM 574 C VAL A 38 20.557 14.487 6.278 1.00 5.44 C ATOM 575 O VAL A 38 21.418 13.888 6.923 1.00 64.44 O ATOM 576 CB VAL A 38 19.542 16.123 7.866 1.00 4.35 C ATOM 577 CG1 VAL A 38 20.575 15.744 8.917 1.00 44.53 C ATOM 578 CG2 VAL A 38 20.006 17.328 7.061 1.00 31.30 C ATOM 0 H VAL A 38 19.205 13.437 8.406 1.00 73.35 H new ATOM 0 HA VAL A 38 18.551 15.241 6.164 1.00 1.44 H new ATOM 0 HB VAL A 38 18.618 16.391 8.379 1.00 4.35 H new ATOM 0 HG11 VAL A 38 20.765 16.599 9.565 1.00 44.53 H new ATOM 0 HG12 VAL A 38 20.199 14.913 9.513 1.00 44.53 H new ATOM 0 HG13 VAL A 38 21.502 15.448 8.426 1.00 44.53 H new ATOM 0 HG21 VAL A 38 20.204 18.161 7.735 1.00 31.30 H new ATOM 0 HG22 VAL A 38 20.917 17.075 6.519 1.00 31.30 H new ATOM 0 HG23 VAL A 38 19.229 17.612 6.351 1.00 31.30 H new ATOM 588 N LYS A 39 20.696 14.787 4.991 1.00 2.04 N ATOM 589 CA LYS A 39 21.895 14.422 4.245 1.00 35.02 C ATOM 590 C LYS A 39 22.689 15.663 3.851 1.00 22.10 C ATOM 591 O LYS A 39 23.533 15.614 2.956 1.00 21.51 O ATOM 592 CB LYS A 39 21.518 13.626 2.994 1.00 61.42 C ATOM 593 CG LYS A 39 22.710 13.006 2.286 1.00 44.04 C ATOM 594 CD LYS A 39 22.605 11.491 2.237 1.00 74.01 C ATOM 595 CE LYS A 39 21.805 11.027 1.029 1.00 35.35 C ATOM 596 NZ LYS A 39 22.520 11.300 -0.248 1.00 35.41 N ATOM 0 H LYS A 39 19.993 15.282 4.443 1.00 2.04 H new ATOM 0 HA LYS A 39 22.519 13.802 4.889 1.00 35.02 H new ATOM 0 HB2 LYS A 39 20.820 12.836 3.273 1.00 61.42 H new ATOM 0 HB3 LYS A 39 20.995 14.283 2.299 1.00 61.42 H new ATOM 0 HG2 LYS A 39 22.777 13.400 1.272 1.00 44.04 H new ATOM 0 HG3 LYS A 39 23.628 13.291 2.800 1.00 44.04 H new ATOM 0 HD2 LYS A 39 23.604 11.057 2.202 1.00 74.01 H new ATOM 0 HD3 LYS A 39 22.132 11.128 3.149 1.00 74.01 H new ATOM 0 HE2 LYS A 39 21.607 9.958 1.113 1.00 35.35 H new ATOM 0 HE3 LYS A 39 20.838 11.530 1.019 1.00 35.35 H new ATOM 0 HZ1 LYS A 39 22.146 10.680 -0.995 1.00 35.41 H new ATOM 0 HZ2 LYS A 39 22.378 12.294 -0.520 1.00 35.41 H new ATOM 0 HZ3 LYS A 39 23.536 11.117 -0.123 1.00 35.41 H new ATOM 610 N VAL A 40 22.415 16.775 4.526 1.00 72.13 N ATOM 611 CA VAL A 40 23.106 18.028 4.248 1.00 41.14 C ATOM 612 C VAL A 40 24.609 17.808 4.112 1.00 54.53 C ATOM 613 O VAL A 40 25.246 17.241 4.999 1.00 61.04 O ATOM 614 CB VAL A 40 22.848 19.069 5.354 1.00 64.35 C ATOM 615 CG1 VAL A 40 23.792 20.252 5.204 1.00 43.11 C ATOM 616 CG2 VAL A 40 21.398 19.526 5.326 1.00 11.34 C ATOM 0 H VAL A 40 21.719 16.833 5.269 1.00 72.13 H new ATOM 0 HA VAL A 40 22.710 18.406 3.305 1.00 41.14 H new ATOM 0 HB VAL A 40 23.040 18.603 6.321 1.00 64.35 H new ATOM 0 HG11 VAL A 40 23.595 20.977 5.994 1.00 43.11 H new ATOM 0 HG12 VAL A 40 24.823 19.906 5.278 1.00 43.11 H new ATOM 0 HG13 VAL A 40 23.635 20.722 4.233 1.00 43.11 H new ATOM 0 HG21 VAL A 40 21.233 20.261 6.114 1.00 11.34 H new ATOM 0 HG22 VAL A 40 21.177 19.976 4.358 1.00 11.34 H new ATOM 0 HG23 VAL A 40 20.743 18.669 5.486 1.00 11.34 H new ATOM 626 N SER A 41 25.169 18.262 2.995 1.00 12.40 N ATOM 627 CA SER A 41 26.597 18.113 2.741 1.00 71.22 C ATOM 628 C SER A 41 27.297 19.468 2.761 1.00 2.12 C ATOM 629 O SER A 41 27.154 20.268 1.836 1.00 50.23 O ATOM 630 CB SER A 41 26.827 17.427 1.393 1.00 43.23 C ATOM 631 OG SER A 41 28.132 16.879 1.316 1.00 40.55 O ATOM 0 H SER A 41 24.656 18.736 2.252 1.00 12.40 H new ATOM 0 HA SER A 41 27.019 17.494 3.533 1.00 71.22 H new ATOM 0 HB2 SER A 41 26.089 16.638 1.252 1.00 43.23 H new ATOM 0 HB3 SER A 41 26.683 18.146 0.586 1.00 43.23 H new ATOM 0 HG SER A 41 28.254 16.445 0.446 1.00 40.55 H new ATOM 637 N LEU A 42 28.055 19.719 3.823 1.00 40.20 N ATOM 638 CA LEU A 42 28.779 20.978 3.966 1.00 70.41 C ATOM 639 C LEU A 42 29.905 21.078 2.941 1.00 35.33 C ATOM 640 O LEU A 42 30.369 22.171 2.619 1.00 13.42 O ATOM 641 CB LEU A 42 29.349 21.103 5.380 1.00 54.30 C ATOM 642 CG LEU A 42 30.767 20.570 5.582 1.00 22.21 C ATOM 643 CD1 LEU A 42 30.880 19.144 5.065 1.00 42.24 C ATOM 644 CD2 LEU A 42 31.780 21.472 4.891 1.00 34.32 C ATOM 0 H LEU A 42 28.184 19.068 4.597 1.00 40.20 H new ATOM 0 HA LEU A 42 28.078 21.794 3.790 1.00 70.41 H new ATOM 0 HB2 LEU A 42 29.334 22.155 5.664 1.00 54.30 H new ATOM 0 HB3 LEU A 42 28.684 20.578 6.066 1.00 54.30 H new ATOM 0 HG LEU A 42 30.984 20.566 6.650 1.00 22.21 H new ATOM 0 HD11 LEU A 42 31.897 18.781 5.217 1.00 42.24 H new ATOM 0 HD12 LEU A 42 30.182 18.505 5.605 1.00 42.24 H new ATOM 0 HD13 LEU A 42 30.643 19.123 4.001 1.00 42.24 H new ATOM 0 HD21 LEU A 42 32.784 21.077 5.046 1.00 34.32 H new ATOM 0 HD22 LEU A 42 31.565 21.509 3.823 1.00 34.32 H new ATOM 0 HD23 LEU A 42 31.717 22.477 5.309 1.00 34.32 H new ATOM 656 N SER A 43 30.337 19.929 2.431 1.00 3.21 N ATOM 657 CA SER A 43 31.410 19.887 1.444 1.00 54.22 C ATOM 658 C SER A 43 30.916 20.373 0.084 1.00 13.15 C ATOM 659 O SER A 43 31.674 20.950 -0.693 1.00 50.44 O ATOM 660 CB SER A 43 31.962 18.466 1.320 1.00 22.00 C ATOM 661 OG SER A 43 32.938 18.386 0.296 1.00 63.31 O ATOM 0 H SER A 43 29.961 19.015 2.685 1.00 3.21 H new ATOM 0 HA SER A 43 32.206 20.551 1.781 1.00 54.22 H new ATOM 0 HB2 SER A 43 32.400 18.159 2.269 1.00 22.00 H new ATOM 0 HB3 SER A 43 31.148 17.774 1.106 1.00 22.00 H new ATOM 0 HG SER A 43 33.276 17.468 0.238 1.00 63.31 H new ATOM 667 N ASN A 44 29.638 20.134 -0.194 1.00 2.32 N ATOM 668 CA ASN A 44 29.042 20.547 -1.459 1.00 74.42 C ATOM 669 C ASN A 44 28.241 21.834 -1.289 1.00 74.11 C ATOM 670 O ASN A 44 27.605 22.309 -2.230 1.00 10.04 O ATOM 671 CB ASN A 44 28.138 19.439 -2.006 1.00 4.21 C ATOM 672 CG ASN A 44 27.981 19.513 -3.512 1.00 72.44 C ATOM 673 OD1 ASN A 44 28.862 19.091 -4.261 1.00 64.11 O ATOM 674 ND2 ASN A 44 26.854 20.050 -3.964 1.00 13.44 N ATOM 0 H ASN A 44 28.996 19.657 0.439 1.00 2.32 H new ATOM 0 HA ASN A 44 29.848 20.733 -2.168 1.00 74.42 H new ATOM 0 HB2 ASN A 44 28.552 18.468 -1.734 1.00 4.21 H new ATOM 0 HB3 ASN A 44 27.157 19.510 -1.537 1.00 4.21 H new ATOM 0 HD21 ASN A 44 26.692 20.125 -4.968 1.00 13.44 H new ATOM 0 HD22 ASN A 44 26.150 20.387 -3.307 1.00 13.44 H new ATOM 681 N GLN A 45 28.277 22.392 -0.084 1.00 4.34 N ATOM 682 CA GLN A 45 27.555 23.624 0.209 1.00 11.53 C ATOM 683 C GLN A 45 26.078 23.486 -0.144 1.00 14.34 C ATOM 684 O GLN A 45 25.466 24.417 -0.667 1.00 34.24 O ATOM 685 CB GLN A 45 28.168 24.795 -0.561 1.00 11.53 C ATOM 686 CG GLN A 45 29.580 25.143 -0.117 1.00 33.02 C ATOM 687 CD GLN A 45 30.040 26.490 -0.638 1.00 23.02 C ATOM 688 OE1 GLN A 45 29.273 27.221 -1.265 1.00 4.42 O ATOM 689 NE2 GLN A 45 31.299 26.826 -0.380 1.00 61.34 N ATOM 0 H GLN A 45 28.798 22.011 0.705 1.00 4.34 H new ATOM 0 HA GLN A 45 27.638 23.818 1.278 1.00 11.53 H new ATOM 0 HB2 GLN A 45 28.179 24.554 -1.624 1.00 11.53 H new ATOM 0 HB3 GLN A 45 27.532 25.672 -0.440 1.00 11.53 H new ATOM 0 HG2 GLN A 45 29.624 25.145 0.972 1.00 33.02 H new ATOM 0 HG3 GLN A 45 30.266 24.370 -0.463 1.00 33.02 H new ATOM 0 HE21 GLN A 45 31.900 26.189 0.143 1.00 61.34 H new ATOM 0 HE22 GLN A 45 31.665 27.721 -0.705 1.00 61.34 H new ATOM 698 N GLU A 46 25.512 22.319 0.146 1.00 33.31 N ATOM 699 CA GLU A 46 24.106 22.059 -0.142 1.00 40.54 C ATOM 700 C GLU A 46 23.405 21.452 1.069 1.00 30.03 C ATOM 701 O GLU A 46 24.046 20.866 1.941 1.00 32.40 O ATOM 702 CB GLU A 46 23.974 21.122 -1.345 1.00 14.52 C ATOM 703 CG GLU A 46 23.915 19.652 -0.967 1.00 34.00 C ATOM 704 CD GLU A 46 24.406 18.744 -2.078 1.00 0.14 C ATOM 705 OE1 GLU A 46 24.189 19.081 -3.260 1.00 53.11 O ATOM 706 OE2 GLU A 46 25.009 17.696 -1.763 1.00 54.14 O ATOM 0 H GLU A 46 26.005 21.539 0.580 1.00 33.31 H new ATOM 0 HA GLU A 46 23.628 23.010 -0.377 1.00 40.54 H new ATOM 0 HB2 GLU A 46 23.073 21.382 -1.900 1.00 14.52 H new ATOM 0 HB3 GLU A 46 24.819 21.283 -2.015 1.00 14.52 H new ATOM 0 HG2 GLU A 46 24.518 19.486 -0.074 1.00 34.00 H new ATOM 0 HG3 GLU A 46 22.889 19.387 -0.713 1.00 34.00 H new ATOM 713 N ALA A 47 22.085 21.598 1.116 1.00 32.33 N ATOM 714 CA ALA A 47 21.296 21.063 2.219 1.00 21.22 C ATOM 715 C ALA A 47 20.241 20.084 1.715 1.00 20.24 C ATOM 716 O ALA A 47 19.417 20.426 0.867 1.00 33.24 O ATOM 717 CB ALA A 47 20.640 22.194 2.997 1.00 43.44 C ATOM 0 H ALA A 47 21.539 22.082 0.403 1.00 32.33 H new ATOM 0 HA ALA A 47 21.968 20.522 2.884 1.00 21.22 H new ATOM 0 HB1 ALA A 47 20.054 21.779 3.817 1.00 43.44 H new ATOM 0 HB2 ALA A 47 21.409 22.854 3.398 1.00 43.44 H new ATOM 0 HB3 ALA A 47 19.986 22.760 2.334 1.00 43.44 H new ATOM 723 N VAL A 48 20.273 18.864 2.242 1.00 32.23 N ATOM 724 CA VAL A 48 19.319 17.835 1.846 1.00 32.11 C ATOM 725 C VAL A 48 18.352 17.515 2.981 1.00 41.52 C ATOM 726 O VAL A 48 18.770 17.199 4.095 1.00 20.10 O ATOM 727 CB VAL A 48 20.035 16.541 1.417 1.00 61.40 C ATOM 728 CG1 VAL A 48 19.023 15.449 1.103 1.00 3.01 C ATOM 729 CG2 VAL A 48 20.937 16.803 0.220 1.00 21.05 C ATOM 0 H VAL A 48 20.949 18.564 2.944 1.00 32.23 H new ATOM 0 HA VAL A 48 18.761 18.231 0.998 1.00 32.11 H new ATOM 0 HB VAL A 48 20.657 16.200 2.244 1.00 61.40 H new ATOM 0 HG11 VAL A 48 19.548 14.542 0.802 1.00 3.01 H new ATOM 0 HG12 VAL A 48 18.423 15.243 1.989 1.00 3.01 H new ATOM 0 HG13 VAL A 48 18.372 15.778 0.293 1.00 3.01 H new ATOM 0 HG21 VAL A 48 21.435 15.878 -0.070 1.00 21.05 H new ATOM 0 HG22 VAL A 48 20.338 17.169 -0.614 1.00 21.05 H new ATOM 0 HG23 VAL A 48 21.685 17.550 0.485 1.00 21.05 H new ATOM 739 N ILE A 49 17.058 17.600 2.690 1.00 44.10 N ATOM 740 CA ILE A 49 16.032 17.318 3.686 1.00 50.42 C ATOM 741 C ILE A 49 15.150 16.153 3.251 1.00 14.14 C ATOM 742 O ILE A 49 14.420 16.246 2.264 1.00 52.23 O ATOM 743 CB ILE A 49 15.145 18.551 3.944 1.00 21.34 C ATOM 744 CG1 ILE A 49 16.003 19.743 4.374 1.00 60.50 C ATOM 745 CG2 ILE A 49 14.097 18.237 5.002 1.00 64.31 C ATOM 746 CD1 ILE A 49 16.129 20.811 3.310 1.00 21.24 C ATOM 0 H ILE A 49 16.696 17.862 1.773 1.00 44.10 H new ATOM 0 HA ILE A 49 16.550 17.054 4.608 1.00 50.42 H new ATOM 0 HB ILE A 49 14.632 18.812 3.018 1.00 21.34 H new ATOM 0 HG12 ILE A 49 15.572 20.185 5.272 1.00 60.50 H new ATOM 0 HG13 ILE A 49 16.998 19.387 4.640 1.00 60.50 H new ATOM 0 HG21 ILE A 49 13.478 19.118 5.174 1.00 64.31 H new ATOM 0 HG22 ILE A 49 13.470 17.414 4.660 1.00 64.31 H new ATOM 0 HG23 ILE A 49 14.592 17.955 5.931 1.00 64.31 H new ATOM 0 HD11 ILE A 49 16.750 21.625 3.683 1.00 21.24 H new ATOM 0 HD12 ILE A 49 16.588 20.384 2.418 1.00 21.24 H new ATOM 0 HD13 ILE A 49 15.140 21.195 3.061 1.00 21.24 H new ATOM 758 N THR A 50 15.220 15.055 3.997 1.00 73.41 N ATOM 759 CA THR A 50 14.427 13.871 3.690 1.00 62.40 C ATOM 760 C THR A 50 13.192 13.790 4.580 1.00 70.14 C ATOM 761 O THR A 50 13.300 13.743 5.805 1.00 32.13 O ATOM 762 CB THR A 50 15.253 12.582 3.860 1.00 25.11 C ATOM 763 OG1 THR A 50 16.417 12.633 3.027 1.00 23.43 O ATOM 764 CG2 THR A 50 14.424 11.357 3.507 1.00 70.42 C ATOM 0 H THR A 50 15.818 14.961 4.818 1.00 73.41 H new ATOM 0 HA THR A 50 14.116 13.960 2.649 1.00 62.40 H new ATOM 0 HB THR A 50 15.557 12.506 4.904 1.00 25.11 H new ATOM 0 HG1 THR A 50 16.938 11.811 3.142 1.00 23.43 H new ATOM 0 HG21 THR A 50 15.029 10.459 3.635 1.00 70.42 H new ATOM 0 HG22 THR A 50 13.554 11.305 4.162 1.00 70.42 H new ATOM 0 HG23 THR A 50 14.094 11.427 2.471 1.00 70.42 H new ATOM 772 N TYR A 51 12.019 13.774 3.956 1.00 65.43 N ATOM 773 CA TYR A 51 10.763 13.700 4.692 1.00 50.22 C ATOM 774 C TYR A 51 9.798 12.724 4.026 1.00 53.32 C ATOM 775 O TYR A 51 10.054 12.236 2.926 1.00 73.52 O ATOM 776 CB TYR A 51 10.121 15.085 4.786 1.00 41.40 C ATOM 777 CG TYR A 51 9.244 15.428 3.603 1.00 32.02 C ATOM 778 CD1 TYR A 51 9.779 15.544 2.326 1.00 0.14 C ATOM 779 CD2 TYR A 51 7.879 15.635 3.763 1.00 71.44 C ATOM 780 CE1 TYR A 51 8.981 15.858 1.243 1.00 22.41 C ATOM 781 CE2 TYR A 51 7.073 15.947 2.685 1.00 41.12 C ATOM 782 CZ TYR A 51 7.629 16.058 1.427 1.00 30.03 C ATOM 783 OH TYR A 51 6.831 16.369 0.351 1.00 54.14 O ATOM 0 H TYR A 51 11.912 13.811 2.942 1.00 65.43 H new ATOM 0 HA TYR A 51 10.981 13.338 5.697 1.00 50.22 H new ATOM 0 HB2 TYR A 51 9.525 15.139 5.697 1.00 41.40 H new ATOM 0 HB3 TYR A 51 10.907 15.835 4.875 1.00 41.40 H new ATOM 0 HD1 TYR A 51 10.837 15.386 2.178 1.00 0.14 H new ATOM 0 HD2 TYR A 51 7.441 15.551 4.747 1.00 71.44 H new ATOM 0 HE1 TYR A 51 9.414 15.946 0.257 1.00 22.41 H new ATOM 0 HE2 TYR A 51 6.014 16.103 2.826 1.00 41.12 H new ATOM 0 HH TYR A 51 6.051 15.776 0.340 1.00 54.14 H new ATOM 793 N GLN A 52 8.687 12.447 4.701 1.00 23.24 N ATOM 794 CA GLN A 52 7.683 11.530 4.176 1.00 70.41 C ATOM 795 C GLN A 52 6.321 12.210 4.081 1.00 22.40 C ATOM 796 O GLN A 52 5.892 12.924 4.987 1.00 23.15 O ATOM 797 CB GLN A 52 7.585 10.286 5.061 1.00 33.10 C ATOM 798 CG GLN A 52 8.653 9.245 4.768 1.00 31.31 C ATOM 799 CD GLN A 52 8.822 8.248 5.898 1.00 3.41 C ATOM 800 OE1 GLN A 52 9.865 8.204 6.551 1.00 2.42 O ATOM 801 NE2 GLN A 52 7.795 7.442 6.135 1.00 33.43 N ATOM 0 H GLN A 52 8.460 12.845 5.612 1.00 23.24 H new ATOM 0 HA GLN A 52 7.990 11.231 3.174 1.00 70.41 H new ATOM 0 HB2 GLN A 52 7.660 10.587 6.106 1.00 33.10 H new ATOM 0 HB3 GLN A 52 6.602 9.833 4.929 1.00 33.10 H new ATOM 0 HG2 GLN A 52 8.394 8.711 3.854 1.00 31.31 H new ATOM 0 HG3 GLN A 52 9.603 9.746 4.586 1.00 31.31 H new ATOM 0 HE21 GLN A 52 6.950 7.513 5.569 1.00 33.43 H new ATOM 0 HE22 GLN A 52 7.851 6.751 6.883 1.00 33.43 H new ATOM 810 N PRO A 53 5.624 11.984 2.958 1.00 53.23 N ATOM 811 CA PRO A 53 4.300 12.566 2.718 1.00 52.32 C ATOM 812 C PRO A 53 3.229 11.963 3.620 1.00 20.23 C ATOM 813 O PRO A 53 2.153 12.536 3.792 1.00 71.00 O ATOM 814 CB PRO A 53 4.021 12.221 1.253 1.00 51.32 C ATOM 815 CG PRO A 53 4.839 11.005 0.987 1.00 4.25 C ATOM 816 CD PRO A 53 6.073 11.143 1.836 1.00 44.54 C ATOM 0 HA PRO A 53 4.281 13.635 2.930 1.00 52.32 H new ATOM 0 HB2 PRO A 53 2.961 12.029 1.087 1.00 51.32 H new ATOM 0 HB3 PRO A 53 4.304 13.041 0.593 1.00 51.32 H new ATOM 0 HG2 PRO A 53 4.288 10.100 1.243 1.00 4.25 H new ATOM 0 HG3 PRO A 53 5.098 10.932 -0.069 1.00 4.25 H new ATOM 0 HD2 PRO A 53 6.434 10.174 2.180 1.00 44.54 H new ATOM 0 HD3 PRO A 53 6.889 11.610 1.285 1.00 44.54 H new ATOM 824 N TYR A 54 3.531 10.804 4.195 1.00 72.21 N ATOM 825 CA TYR A 54 2.593 10.122 5.079 1.00 72.24 C ATOM 826 C TYR A 54 2.638 10.715 6.483 1.00 0.24 C ATOM 827 O TYR A 54 1.748 10.476 7.301 1.00 71.35 O ATOM 828 CB TYR A 54 2.908 8.626 5.134 1.00 12.04 C ATOM 829 CG TYR A 54 2.260 7.914 6.301 1.00 65.03 C ATOM 830 CD1 TYR A 54 2.890 7.849 7.537 1.00 4.53 C ATOM 831 CD2 TYR A 54 1.018 7.307 6.166 1.00 60.51 C ATOM 832 CE1 TYR A 54 2.303 7.199 8.605 1.00 11.31 C ATOM 833 CE2 TYR A 54 0.422 6.655 7.229 1.00 42.42 C ATOM 834 CZ TYR A 54 1.069 6.604 8.446 1.00 12.11 C ATOM 835 OH TYR A 54 0.480 5.957 9.508 1.00 74.32 O ATOM 0 H TYR A 54 4.418 10.317 4.065 1.00 72.21 H new ATOM 0 HA TYR A 54 1.589 10.261 4.678 1.00 72.24 H new ATOM 0 HB2 TYR A 54 2.578 8.159 4.206 1.00 12.04 H new ATOM 0 HB3 TYR A 54 3.988 8.492 5.192 1.00 12.04 H new ATOM 0 HD1 TYR A 54 3.856 8.315 7.665 1.00 4.53 H new ATOM 0 HD2 TYR A 54 0.509 7.345 5.214 1.00 60.51 H new ATOM 0 HE1 TYR A 54 2.807 7.157 9.559 1.00 11.31 H new ATOM 0 HE2 TYR A 54 -0.544 6.188 7.107 1.00 42.42 H new ATOM 0 HH TYR A 54 -0.387 5.594 9.230 1.00 74.32 H new ATOM 845 N LEU A 55 3.681 11.491 6.757 1.00 12.32 N ATOM 846 CA LEU A 55 3.844 12.121 8.063 1.00 52.21 C ATOM 847 C LEU A 55 3.703 13.636 7.958 1.00 43.41 C ATOM 848 O LEU A 55 2.722 14.212 8.428 1.00 12.41 O ATOM 849 CB LEU A 55 5.208 11.764 8.657 1.00 74.04 C ATOM 850 CG LEU A 55 5.618 10.294 8.560 1.00 53.13 C ATOM 851 CD1 LEU A 55 7.132 10.159 8.599 1.00 71.32 C ATOM 852 CD2 LEU A 55 4.979 9.487 9.681 1.00 41.22 C ATOM 0 H LEU A 55 4.426 11.699 6.093 1.00 12.32 H new ATOM 0 HA LEU A 55 3.059 11.746 8.720 1.00 52.21 H new ATOM 0 HB2 LEU A 55 5.968 12.366 8.159 1.00 74.04 H new ATOM 0 HB3 LEU A 55 5.211 12.053 9.708 1.00 74.04 H new ATOM 0 HG LEU A 55 5.263 9.899 7.608 1.00 53.13 H new ATOM 0 HD11 LEU A 55 7.405 9.106 8.529 1.00 71.32 H new ATOM 0 HD12 LEU A 55 7.568 10.704 7.761 1.00 71.32 H new ATOM 0 HD13 LEU A 55 7.510 10.570 9.535 1.00 71.32 H new ATOM 0 HD21 LEU A 55 5.282 8.443 9.596 1.00 41.22 H new ATOM 0 HD22 LEU A 55 5.303 9.882 10.644 1.00 41.22 H new ATOM 0 HD23 LEU A 55 3.894 9.557 9.607 1.00 41.22 H new ATOM 864 N ILE A 56 4.689 14.275 7.337 1.00 40.11 N ATOM 865 CA ILE A 56 4.673 15.723 7.167 1.00 21.23 C ATOM 866 C ILE A 56 4.734 16.104 5.692 1.00 5.21 C ATOM 867 O ILE A 56 5.219 15.335 4.862 1.00 14.13 O ATOM 868 CB ILE A 56 5.848 16.389 7.908 1.00 52.25 C ATOM 869 CG1 ILE A 56 5.643 17.904 7.974 1.00 4.12 C ATOM 870 CG2 ILE A 56 7.164 16.057 7.221 1.00 72.44 C ATOM 871 CD1 ILE A 56 6.780 18.638 8.650 1.00 44.11 C ATOM 0 H ILE A 56 5.509 13.813 6.943 1.00 40.11 H new ATOM 0 HA ILE A 56 3.736 16.081 7.593 1.00 21.23 H new ATOM 0 HB ILE A 56 5.884 16.001 8.926 1.00 52.25 H new ATOM 0 HG12 ILE A 56 5.522 18.291 6.962 1.00 4.12 H new ATOM 0 HG13 ILE A 56 4.717 18.114 8.508 1.00 4.12 H new ATOM 0 HG21 ILE A 56 7.985 16.535 7.756 1.00 72.44 H new ATOM 0 HG22 ILE A 56 7.312 14.977 7.220 1.00 72.44 H new ATOM 0 HG23 ILE A 56 7.140 16.421 6.194 1.00 72.44 H new ATOM 0 HD11 ILE A 56 6.567 19.707 8.661 1.00 44.11 H new ATOM 0 HD12 ILE A 56 6.888 18.279 9.673 1.00 44.11 H new ATOM 0 HD13 ILE A 56 7.706 18.458 8.103 1.00 44.11 H new ATOM 883 N GLN A 57 4.242 17.297 5.374 1.00 70.00 N ATOM 884 CA GLN A 57 4.242 17.781 3.998 1.00 21.25 C ATOM 885 C GLN A 57 5.539 18.518 3.681 1.00 52.11 C ATOM 886 O GLN A 57 6.327 18.848 4.567 1.00 12.43 O ATOM 887 CB GLN A 57 3.045 18.703 3.760 1.00 45.21 C ATOM 888 CG GLN A 57 1.907 18.039 3.002 1.00 10.33 C ATOM 889 CD GLN A 57 1.123 17.067 3.862 1.00 52.34 C ATOM 890 OE1 GLN A 57 0.419 17.469 4.789 1.00 24.32 O ATOM 891 NE2 GLN A 57 1.239 15.780 3.557 1.00 45.10 N ATOM 0 H GLN A 57 3.839 17.946 6.050 1.00 70.00 H new ATOM 0 HA GLN A 57 4.164 16.919 3.335 1.00 21.25 H new ATOM 0 HB2 GLN A 57 2.673 19.057 4.721 1.00 45.21 H new ATOM 0 HB3 GLN A 57 3.377 19.580 3.205 1.00 45.21 H new ATOM 0 HG2 GLN A 57 1.233 18.806 2.620 1.00 10.33 H new ATOM 0 HG3 GLN A 57 2.310 17.511 2.138 1.00 10.33 H new ATOM 0 HE21 GLN A 57 1.834 15.492 2.780 1.00 45.10 H new ATOM 0 HE22 GLN A 57 0.733 15.080 4.099 1.00 45.10 H new ATOM 900 N PRO A 58 5.768 18.783 2.386 1.00 33.10 N ATOM 901 CA PRO A 58 6.968 19.484 1.922 1.00 43.24 C ATOM 902 C PRO A 58 6.973 20.955 2.324 1.00 33.13 C ATOM 903 O PRO A 58 7.976 21.469 2.817 1.00 40.43 O ATOM 904 CB PRO A 58 6.893 19.347 0.399 1.00 74.20 C ATOM 905 CG PRO A 58 5.442 19.172 0.106 1.00 25.30 C ATOM 906 CD PRO A 58 4.872 18.418 1.276 1.00 52.43 C ATOM 0 HA PRO A 58 7.876 19.067 2.357 1.00 43.24 H new ATOM 0 HB2 PRO A 58 7.294 20.230 -0.098 1.00 74.20 H new ATOM 0 HB3 PRO A 58 7.473 18.493 0.049 1.00 74.20 H new ATOM 0 HG2 PRO A 58 4.949 20.137 -0.014 1.00 25.30 H new ATOM 0 HG3 PRO A 58 5.295 18.621 -0.823 1.00 25.30 H new ATOM 0 HD2 PRO A 58 3.842 18.710 1.479 1.00 52.43 H new ATOM 0 HD3 PRO A 58 4.870 17.343 1.098 1.00 52.43 H new ATOM 914 N GLU A 59 5.845 21.625 2.112 1.00 54.44 N ATOM 915 CA GLU A 59 5.720 23.038 2.453 1.00 63.32 C ATOM 916 C GLU A 59 5.888 23.251 3.954 1.00 2.54 C ATOM 917 O GLU A 59 6.437 24.264 4.391 1.00 74.34 O ATOM 918 CB GLU A 59 4.363 23.577 1.998 1.00 14.44 C ATOM 919 CG GLU A 59 4.368 24.124 0.581 1.00 44.13 C ATOM 920 CD GLU A 59 3.179 25.021 0.296 1.00 4.25 C ATOM 921 OE1 GLU A 59 2.113 24.492 -0.082 1.00 5.41 O ATOM 922 OE2 GLU A 59 3.316 26.253 0.453 1.00 75.20 O ATOM 0 H GLU A 59 5.005 21.213 1.706 1.00 54.44 H new ATOM 0 HA GLU A 59 6.510 23.582 1.936 1.00 63.32 H new ATOM 0 HB2 GLU A 59 3.623 22.780 2.068 1.00 14.44 H new ATOM 0 HB3 GLU A 59 4.047 24.365 2.681 1.00 14.44 H new ATOM 0 HG2 GLU A 59 5.288 24.684 0.415 1.00 44.13 H new ATOM 0 HG3 GLU A 59 4.369 23.293 -0.125 1.00 44.13 H new ATOM 929 N ASP A 60 5.412 22.292 4.739 1.00 33.44 N ATOM 930 CA ASP A 60 5.509 22.373 6.192 1.00 12.42 C ATOM 931 C ASP A 60 6.960 22.256 6.647 1.00 1.02 C ATOM 932 O ASP A 60 7.398 22.968 7.552 1.00 33.23 O ATOM 933 CB ASP A 60 4.667 21.275 6.844 1.00 53.25 C ATOM 934 CG ASP A 60 3.428 21.823 7.525 1.00 61.11 C ATOM 935 OD1 ASP A 60 3.565 22.424 8.611 1.00 33.23 O ATOM 936 OD2 ASP A 60 2.322 21.651 6.971 1.00 1.33 O ATOM 0 H ASP A 60 4.954 21.448 4.394 1.00 33.44 H new ATOM 0 HA ASP A 60 5.127 23.345 6.503 1.00 12.42 H new ATOM 0 HB2 ASP A 60 4.371 20.550 6.086 1.00 53.25 H new ATOM 0 HB3 ASP A 60 5.274 20.742 7.575 1.00 53.25 H new ATOM 941 N LEU A 61 7.702 21.353 6.015 1.00 13.21 N ATOM 942 CA LEU A 61 9.104 21.141 6.355 1.00 4.44 C ATOM 943 C LEU A 61 9.938 22.375 6.023 1.00 72.24 C ATOM 944 O LEU A 61 11.033 22.558 6.555 1.00 53.34 O ATOM 945 CB LEU A 61 9.653 19.925 5.608 1.00 72.50 C ATOM 946 CG LEU A 61 10.389 20.216 4.300 1.00 73.03 C ATOM 947 CD1 LEU A 61 11.863 20.480 4.564 1.00 12.50 C ATOM 948 CD2 LEU A 61 10.219 19.061 3.324 1.00 52.15 C ATOM 0 H LEU A 61 7.356 20.756 5.264 1.00 13.21 H new ATOM 0 HA LEU A 61 9.168 20.960 7.428 1.00 4.44 H new ATOM 0 HB2 LEU A 61 10.332 19.392 6.273 1.00 72.50 H new ATOM 0 HB3 LEU A 61 8.824 19.251 5.393 1.00 72.50 H new ATOM 0 HG LEU A 61 9.955 21.110 3.853 1.00 73.03 H new ATOM 0 HD11 LEU A 61 12.370 20.685 3.621 1.00 12.50 H new ATOM 0 HD12 LEU A 61 11.966 21.340 5.226 1.00 12.50 H new ATOM 0 HD13 LEU A 61 12.311 19.605 5.034 1.00 12.50 H new ATOM 0 HD21 LEU A 61 10.749 19.286 2.399 1.00 52.15 H new ATOM 0 HD22 LEU A 61 10.626 18.150 3.764 1.00 52.15 H new ATOM 0 HD23 LEU A 61 9.160 18.919 3.110 1.00 52.15 H new ATOM 960 N ARG A 62 9.411 23.218 5.141 1.00 11.41 N ATOM 961 CA ARG A 62 10.106 24.435 4.738 1.00 13.24 C ATOM 962 C ARG A 62 10.412 25.312 5.949 1.00 44.11 C ATOM 963 O ARG A 62 11.502 25.875 6.060 1.00 32.22 O ATOM 964 CB ARG A 62 9.264 25.218 3.728 1.00 25.34 C ATOM 965 CG ARG A 62 9.981 26.424 3.143 1.00 21.34 C ATOM 966 CD ARG A 62 10.415 26.172 1.708 1.00 73.22 C ATOM 967 NE ARG A 62 11.013 24.850 1.541 1.00 52.04 N ATOM 968 CZ ARG A 62 11.113 24.232 0.369 1.00 30.43 C ATOM 969 NH1 ARG A 62 10.658 24.813 -0.732 1.00 75.40 N ATOM 970 NH2 ARG A 62 11.670 23.029 0.298 1.00 43.51 N ATOM 0 H ARG A 62 8.505 23.081 4.692 1.00 11.41 H new ATOM 0 HA ARG A 62 11.048 24.148 4.271 1.00 13.24 H new ATOM 0 HB2 ARG A 62 8.971 24.551 2.917 1.00 25.34 H new ATOM 0 HB3 ARG A 62 8.347 25.551 4.213 1.00 25.34 H new ATOM 0 HG2 ARG A 62 9.323 27.292 3.178 1.00 21.34 H new ATOM 0 HG3 ARG A 62 10.854 26.661 3.752 1.00 21.34 H new ATOM 0 HD2 ARG A 62 9.553 26.266 1.047 1.00 73.22 H new ATOM 0 HD3 ARG A 62 11.133 26.935 1.407 1.00 73.22 H new ATOM 0 HE ARG A 62 11.373 24.375 2.369 1.00 52.04 H new ATOM 0 HH11 ARG A 62 10.230 25.737 -0.681 1.00 75.40 H new ATOM 0 HH12 ARG A 62 10.736 24.336 -1.630 1.00 75.40 H new ATOM 0 HH21 ARG A 62 12.021 22.579 1.143 1.00 43.51 H new ATOM 0 HH22 ARG A 62 11.747 22.555 -0.602 1.00 43.51 H new ATOM 984 N ASP A 63 9.445 25.424 6.852 1.00 31.33 N ATOM 985 CA ASP A 63 9.611 26.231 8.055 1.00 43.40 C ATOM 986 C ASP A 63 10.684 25.639 8.964 1.00 74.43 C ATOM 987 O ASP A 63 11.462 26.367 9.580 1.00 42.01 O ATOM 988 CB ASP A 63 8.286 26.338 8.811 1.00 21.42 C ATOM 989 CG ASP A 63 8.401 27.181 10.066 1.00 42.35 C ATOM 990 OD1 ASP A 63 8.822 28.352 9.957 1.00 44.11 O ATOM 991 OD2 ASP A 63 8.069 26.671 11.156 1.00 43.03 O ATOM 0 H ASP A 63 8.537 24.966 6.774 1.00 31.33 H new ATOM 0 HA ASP A 63 9.928 27.229 7.752 1.00 43.40 H new ATOM 0 HB2 ASP A 63 7.531 26.770 8.155 1.00 21.42 H new ATOM 0 HB3 ASP A 63 7.942 25.339 9.078 1.00 21.42 H new ATOM 996 N HIS A 64 10.718 24.312 9.043 1.00 13.12 N ATOM 997 CA HIS A 64 11.694 23.621 9.877 1.00 4.15 C ATOM 998 C HIS A 64 13.114 24.054 9.524 1.00 61.34 C ATOM 999 O HIS A 64 13.964 24.207 10.401 1.00 63.43 O ATOM 1000 CB HIS A 64 11.555 22.107 9.715 1.00 12.23 C ATOM 1001 CG HIS A 64 12.634 21.329 10.403 1.00 43.14 C ATOM 1002 ND1 HIS A 64 13.140 20.145 9.908 1.00 2.50 N ATOM 1003 CD2 HIS A 64 13.306 21.572 11.552 1.00 2.42 C ATOM 1004 CE1 HIS A 64 14.075 19.694 10.725 1.00 62.54 C ATOM 1005 NE2 HIS A 64 14.196 20.541 11.730 1.00 14.51 N ATOM 0 H HIS A 64 10.081 23.695 8.540 1.00 13.12 H new ATOM 0 HA HIS A 64 11.499 23.887 10.916 1.00 4.15 H new ATOM 0 HB2 HIS A 64 10.587 21.795 10.108 1.00 12.23 H new ATOM 0 HB3 HIS A 64 11.562 21.861 8.653 1.00 12.23 H new ATOM 0 HD1 HIS A 64 12.839 19.689 9.046 1.00 2.50 H new ATOM 0 HD2 HIS A 64 13.168 22.419 12.207 1.00 2.42 H new ATOM 0 HE1 HIS A 64 14.644 18.786 10.593 1.00 62.54 H new ATOM 1013 N VAL A 65 13.364 24.249 8.233 1.00 73.24 N ATOM 1014 CA VAL A 65 14.680 24.664 7.763 1.00 50.03 C ATOM 1015 C VAL A 65 15.101 25.983 8.402 1.00 71.43 C ATOM 1016 O VAL A 65 16.242 26.138 8.835 1.00 71.33 O ATOM 1017 CB VAL A 65 14.706 24.817 6.230 1.00 3.43 C ATOM 1018 CG1 VAL A 65 16.118 25.113 5.747 1.00 11.12 C ATOM 1019 CG2 VAL A 65 14.156 23.567 5.561 1.00 53.43 C ATOM 0 H VAL A 65 12.672 24.126 7.494 1.00 73.24 H new ATOM 0 HA VAL A 65 15.381 23.882 8.055 1.00 50.03 H new ATOM 0 HB VAL A 65 14.070 25.658 5.955 1.00 3.43 H new ATOM 0 HG11 VAL A 65 16.117 25.218 4.662 1.00 11.12 H new ATOM 0 HG12 VAL A 65 16.471 26.039 6.201 1.00 11.12 H new ATOM 0 HG13 VAL A 65 16.779 24.294 6.032 1.00 11.12 H new ATOM 0 HG21 VAL A 65 14.182 23.692 4.479 1.00 53.43 H new ATOM 0 HG22 VAL A 65 14.764 22.707 5.841 1.00 53.43 H new ATOM 0 HG23 VAL A 65 13.127 23.405 5.883 1.00 53.43 H new ATOM 1029 N ASN A 66 14.171 26.930 8.457 1.00 13.35 N ATOM 1030 CA ASN A 66 14.445 28.237 9.044 1.00 2.11 C ATOM 1031 C ASN A 66 14.768 28.110 10.530 1.00 60.53 C ATOM 1032 O ASN A 66 15.488 28.935 11.092 1.00 33.12 O ATOM 1033 CB ASN A 66 13.247 29.169 8.849 1.00 22.41 C ATOM 1034 CG ASN A 66 13.270 30.347 9.804 1.00 74.24 C ATOM 1035 OD1 ASN A 66 12.381 30.498 10.642 1.00 55.14 O ATOM 1036 ND2 ASN A 66 14.289 31.189 9.680 1.00 22.32 N ATOM 0 H ASN A 66 13.221 26.817 8.103 1.00 13.35 H new ATOM 0 HA ASN A 66 15.312 28.660 8.537 1.00 2.11 H new ATOM 0 HB2 ASN A 66 13.239 29.537 7.823 1.00 22.41 H new ATOM 0 HB3 ASN A 66 12.325 28.606 8.993 1.00 22.41 H new ATOM 0 HD21 ASN A 66 14.358 32.001 10.294 1.00 22.32 H new ATOM 0 HD22 ASN A 66 15.003 31.024 8.971 1.00 22.32 H new ATOM 1043 N ASP A 67 14.231 27.070 11.159 1.00 63.12 N ATOM 1044 CA ASP A 67 14.463 26.832 12.579 1.00 42.51 C ATOM 1045 C ASP A 67 15.922 26.470 12.838 1.00 21.21 C ATOM 1046 O ASP A 67 16.423 26.630 13.950 1.00 4.54 O ATOM 1047 CB ASP A 67 13.549 25.716 13.087 1.00 2.41 C ATOM 1048 CG ASP A 67 13.226 25.859 14.561 1.00 12.23 C ATOM 1049 OD1 ASP A 67 13.689 26.841 15.178 1.00 42.35 O ATOM 1050 OD2 ASP A 67 12.510 24.988 15.099 1.00 0.22 O ATOM 0 H ASP A 67 13.632 26.378 10.708 1.00 63.12 H new ATOM 0 HA ASP A 67 14.235 27.751 13.118 1.00 42.51 H new ATOM 0 HB2 ASP A 67 12.622 25.719 12.513 1.00 2.41 H new ATOM 0 HB3 ASP A 67 14.027 24.752 12.915 1.00 2.41 H new ATOM 1055 N MET A 68 16.597 25.979 11.804 1.00 63.01 N ATOM 1056 CA MET A 68 17.999 25.594 11.920 1.00 31.44 C ATOM 1057 C MET A 68 18.888 26.821 12.094 1.00 14.14 C ATOM 1058 O MET A 68 20.061 26.705 12.446 1.00 13.13 O ATOM 1059 CB MET A 68 18.437 24.803 10.686 1.00 51.21 C ATOM 1060 CG MET A 68 17.798 23.427 10.587 1.00 5.32 C ATOM 1061 SD MET A 68 17.801 22.780 8.904 1.00 33.44 S ATOM 1062 CE MET A 68 19.475 23.163 8.396 1.00 31.14 C ATOM 0 H MET A 68 16.196 25.838 10.877 1.00 63.01 H new ATOM 0 HA MET A 68 18.104 24.963 12.803 1.00 31.44 H new ATOM 0 HB2 MET A 68 18.189 25.375 9.792 1.00 51.21 H new ATOM 0 HB3 MET A 68 19.521 24.691 10.703 1.00 51.21 H new ATOM 0 HG2 MET A 68 18.331 22.735 11.239 1.00 5.32 H new ATOM 0 HG3 MET A 68 16.772 23.480 10.950 1.00 5.32 H new ATOM 0 HE1 MET A 68 19.839 22.384 7.726 1.00 31.14 H new ATOM 0 HE2 MET A 68 19.488 24.122 7.878 1.00 31.14 H new ATOM 0 HE3 MET A 68 20.119 23.216 9.274 1.00 31.14 H new ATOM 1072 N GLY A 69 18.320 27.997 11.845 1.00 42.51 N ATOM 1073 CA GLY A 69 19.076 29.229 11.979 1.00 21.01 C ATOM 1074 C GLY A 69 19.695 29.675 10.669 1.00 25.24 C ATOM 1075 O GLY A 69 20.208 30.789 10.564 1.00 12.32 O ATOM 0 H GLY A 69 17.350 28.119 11.553 1.00 42.51 H new ATOM 0 HA2 GLY A 69 18.420 30.015 12.354 1.00 21.01 H new ATOM 0 HA3 GLY A 69 19.863 29.090 12.720 1.00 21.01 H new ATOM 1079 N PHE A 70 19.650 28.802 9.668 1.00 5.21 N ATOM 1080 CA PHE A 70 20.214 29.111 8.359 1.00 21.11 C ATOM 1081 C PHE A 70 19.110 29.300 7.323 1.00 44.43 C ATOM 1082 O PHE A 70 17.982 28.848 7.513 1.00 23.51 O ATOM 1083 CB PHE A 70 21.162 27.996 7.913 1.00 44.11 C ATOM 1084 CG PHE A 70 22.090 27.528 8.997 1.00 3.45 C ATOM 1085 CD1 PHE A 70 23.128 28.335 9.435 1.00 11.45 C ATOM 1086 CD2 PHE A 70 21.925 26.281 9.579 1.00 41.53 C ATOM 1087 CE1 PHE A 70 23.983 27.908 10.434 1.00 43.24 C ATOM 1088 CE2 PHE A 70 22.777 25.849 10.577 1.00 0.24 C ATOM 1089 CZ PHE A 70 23.808 26.663 11.005 1.00 61.05 C ATOM 0 H PHE A 70 19.229 27.876 9.738 1.00 5.21 H new ATOM 0 HA PHE A 70 20.774 30.043 8.442 1.00 21.11 H new ATOM 0 HB2 PHE A 70 20.573 27.150 7.559 1.00 44.11 H new ATOM 0 HB3 PHE A 70 21.753 28.349 7.068 1.00 44.11 H new ATOM 0 HD1 PHE A 70 23.271 29.309 8.991 1.00 11.45 H new ATOM 0 HD2 PHE A 70 21.121 25.640 9.249 1.00 41.53 H new ATOM 0 HE1 PHE A 70 24.787 28.547 10.767 1.00 43.24 H new ATOM 0 HE2 PHE A 70 22.637 24.875 11.023 1.00 0.24 H new ATOM 0 HZ PHE A 70 24.476 26.326 11.784 1.00 61.05 H new ATOM 1099 N GLU A 71 19.446 29.974 6.226 1.00 35.54 N ATOM 1100 CA GLU A 71 18.483 30.224 5.161 1.00 55.35 C ATOM 1101 C GLU A 71 18.693 29.257 3.999 1.00 54.21 C ATOM 1102 O GLU A 71 19.794 29.145 3.462 1.00 24.15 O ATOM 1103 CB GLU A 71 18.601 31.667 4.665 1.00 11.10 C ATOM 1104 CG GLU A 71 18.706 32.689 5.785 1.00 64.50 C ATOM 1105 CD GLU A 71 20.135 32.901 6.248 1.00 34.22 C ATOM 1106 OE1 GLU A 71 21.024 33.041 5.382 1.00 12.24 O ATOM 1107 OE2 GLU A 71 20.363 32.926 7.475 1.00 4.34 O ATOM 0 H GLU A 71 20.376 30.355 6.053 1.00 35.54 H new ATOM 0 HA GLU A 71 17.483 30.067 5.566 1.00 55.35 H new ATOM 0 HB2 GLU A 71 19.479 31.751 4.024 1.00 11.10 H new ATOM 0 HB3 GLU A 71 17.733 31.903 4.049 1.00 11.10 H new ATOM 0 HG2 GLU A 71 18.293 33.639 5.445 1.00 64.50 H new ATOM 0 HG3 GLU A 71 18.099 32.361 6.629 1.00 64.50 H new ATOM 1114 N ALA A 72 17.627 28.561 3.617 1.00 63.34 N ATOM 1115 CA ALA A 72 17.694 27.604 2.519 1.00 54.45 C ATOM 1116 C ALA A 72 16.733 27.988 1.398 1.00 33.51 C ATOM 1117 O ALA A 72 15.617 28.440 1.652 1.00 31.12 O ATOM 1118 CB ALA A 72 17.388 26.201 3.021 1.00 3.25 C ATOM 0 H ALA A 72 16.708 28.642 4.051 1.00 63.34 H new ATOM 0 HA ALA A 72 18.707 27.620 2.117 1.00 54.45 H new ATOM 0 HB1 ALA A 72 17.442 25.497 2.190 1.00 3.25 H new ATOM 0 HB2 ALA A 72 18.116 25.920 3.782 1.00 3.25 H new ATOM 0 HB3 ALA A 72 16.387 26.179 3.451 1.00 3.25 H new ATOM 1124 N ALA A 73 17.174 27.804 0.158 1.00 51.10 N ATOM 1125 CA ALA A 73 16.352 28.129 -1.001 1.00 42.41 C ATOM 1126 C ALA A 73 16.336 26.980 -2.003 1.00 34.55 C ATOM 1127 O ALA A 73 17.356 26.329 -2.231 1.00 74.41 O ATOM 1128 CB ALA A 73 16.856 29.403 -1.665 1.00 21.53 C ATOM 0 H ALA A 73 18.096 27.432 -0.070 1.00 51.10 H new ATOM 0 HA ALA A 73 15.331 28.290 -0.657 1.00 42.41 H new ATOM 0 HB1 ALA A 73 16.233 29.634 -2.529 1.00 21.53 H new ATOM 0 HB2 ALA A 73 16.809 30.227 -0.953 1.00 21.53 H new ATOM 0 HB3 ALA A 73 17.887 29.261 -1.989 1.00 21.53 H new ATOM 1134 N ILE A 74 15.172 26.735 -2.596 1.00 23.41 N ATOM 1135 CA ILE A 74 15.024 25.663 -3.573 1.00 43.20 C ATOM 1136 C ILE A 74 16.081 25.768 -4.668 1.00 33.22 C ATOM 1137 O ILE A 74 16.219 26.806 -5.316 1.00 20.43 O ATOM 1138 CB ILE A 74 13.627 25.681 -4.220 1.00 71.53 C ATOM 1139 CG1 ILE A 74 12.543 25.545 -3.149 1.00 0.21 C ATOM 1140 CG2 ILE A 74 13.505 24.566 -5.248 1.00 65.52 C ATOM 1141 CD1 ILE A 74 11.173 25.985 -3.616 1.00 62.23 C ATOM 0 H ILE A 74 14.318 27.264 -2.417 1.00 23.41 H new ATOM 0 HA ILE A 74 15.154 24.724 -3.035 1.00 43.20 H new ATOM 0 HB ILE A 74 13.491 26.635 -4.729 1.00 71.53 H new ATOM 0 HG12 ILE A 74 12.491 24.505 -2.826 1.00 0.21 H new ATOM 0 HG13 ILE A 74 12.828 26.135 -2.278 1.00 0.21 H new ATOM 0 HG21 ILE A 74 12.512 24.592 -5.697 1.00 65.52 H new ATOM 0 HG22 ILE A 74 14.258 24.703 -6.024 1.00 65.52 H new ATOM 0 HG23 ILE A 74 13.658 23.603 -4.760 1.00 65.52 H new ATOM 0 HD11 ILE A 74 10.455 25.861 -2.805 1.00 62.23 H new ATOM 0 HD12 ILE A 74 11.209 27.034 -3.912 1.00 62.23 H new ATOM 0 HD13 ILE A 74 10.867 25.378 -4.468 1.00 62.23 H new ATOM 1153 N LYS A 75 16.824 24.685 -4.871 1.00 13.12 N ATOM 1154 CA LYS A 75 17.866 24.652 -5.889 1.00 44.04 C ATOM 1155 C LYS A 75 17.302 25.020 -7.258 1.00 0.01 C ATOM 1156 O LYS A 75 17.977 25.654 -8.068 1.00 45.32 O ATOM 1157 CB LYS A 75 18.508 23.264 -5.947 1.00 31.20 C ATOM 1158 CG LYS A 75 17.516 22.147 -6.222 1.00 24.52 C ATOM 1159 CD LYS A 75 17.456 21.806 -7.702 1.00 14.55 C ATOM 1160 CE LYS A 75 16.070 21.326 -8.106 1.00 64.05 C ATOM 1161 NZ LYS A 75 15.834 19.912 -7.705 1.00 25.45 N ATOM 0 H LYS A 75 16.723 23.818 -4.343 1.00 13.12 H new ATOM 0 HA LYS A 75 18.625 25.386 -5.619 1.00 44.04 H new ATOM 0 HB2 LYS A 75 19.273 23.259 -6.723 1.00 31.20 H new ATOM 0 HB3 LYS A 75 19.012 23.066 -5.001 1.00 31.20 H new ATOM 0 HG2 LYS A 75 17.799 21.260 -5.655 1.00 24.52 H new ATOM 0 HG3 LYS A 75 16.526 22.445 -5.876 1.00 24.52 H new ATOM 0 HD2 LYS A 75 17.724 22.684 -8.290 1.00 14.55 H new ATOM 0 HD3 LYS A 75 18.191 21.033 -7.929 1.00 14.55 H new ATOM 0 HE2 LYS A 75 15.316 21.965 -7.646 1.00 64.05 H new ATOM 0 HE3 LYS A 75 15.953 21.422 -9.185 1.00 64.05 H new ATOM 0 HZ1 LYS A 75 14.906 19.602 -8.057 1.00 25.45 H new ATOM 0 HZ2 LYS A 75 16.578 19.308 -8.109 1.00 25.45 H new ATOM 0 HZ3 LYS A 75 15.853 19.837 -6.668 1.00 25.45 H new ATOM 1175 N SER A 76 16.060 24.619 -7.508 1.00 13.00 N ATOM 1176 CA SER A 76 15.406 24.905 -8.779 1.00 75.15 C ATOM 1177 C SER A 76 14.825 26.316 -8.787 1.00 24.12 C ATOM 1178 O SER A 76 13.903 26.622 -8.033 1.00 50.23 O ATOM 1179 CB SER A 76 14.298 23.884 -9.048 1.00 52.40 C ATOM 1180 OG SER A 76 13.286 24.435 -9.873 1.00 41.35 O ATOM 0 H SER A 76 15.486 24.095 -6.847 1.00 13.00 H new ATOM 0 HA SER A 76 16.155 24.835 -9.568 1.00 75.15 H new ATOM 0 HB2 SER A 76 14.721 23.001 -9.527 1.00 52.40 H new ATOM 0 HB3 SER A 76 13.863 23.557 -8.103 1.00 52.40 H new ATOM 0 HG SER A 76 12.591 23.763 -10.031 1.00 41.35 H new TER 1186 SER A 76