USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=19 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 USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0 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) USER MOD Single : A 4 MET CE :methyl 154:sc= -0.162 (180deg=-0.83) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 10 LYS NZ :NH3+ -142:sc= -0.0239 (180deg=-1.61!) USER MOD Single : A 16 MET CE :methyl -137:sc= -4.04! (180deg=-7.28!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0.00482 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+ 147:sc= -0.164 (180deg=-0.796) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0645) USER MOD Single : A 44 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.011) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 51 TYR OH : rot 120:sc= -1.76 USER MOD Single : A 52 GLN : amide:sc= -2.05! C(o=-2!,f=-5.2!) 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 HD1:sc= -3.72! X(o=-3.7!,f=-3.7) USER MOD Single : A 66 ASN : amide:sc= -0.0554 X(o=-0.055,f=-0.055) USER MOD Single : A 68 MET CE :methyl 139:sc= -1.68 (180deg=-5.43!) USER MOD Single : A 75 LYS NZ :NH3+ -113:sc= 0.84 (180deg=-0.118) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.979 5.198 7.545 1.00 4.01 N ATOM 2 CA ALA A 1 6.896 4.207 8.095 1.00 34.23 C ATOM 3 C ALA A 1 6.557 2.807 7.593 1.00 12.50 C ATOM 4 O ALA A 1 6.309 1.897 8.382 1.00 24.14 O ATOM 5 CB ALA A 1 6.864 4.246 9.616 1.00 21.20 C ATOM 0 H1 ALA A 1 6.232 6.141 7.903 1.00 4.01 H new ATOM 0 H2 ALA A 1 6.044 5.192 6.507 1.00 4.01 H new ATOM 0 H3 ALA A 1 5.006 4.968 7.833 1.00 4.01 H new ATOM 0 HA ALA A 1 7.903 4.452 7.757 1.00 34.23 H new ATOM 0 HB1 ALA A 1 7.553 3.501 10.014 1.00 21.20 H new ATOM 0 HB2 ALA A 1 7.161 5.236 9.961 1.00 21.20 H new ATOM 0 HB3 ALA A 1 5.854 4.029 9.964 1.00 21.20 H new ATOM 11 N GLY A 2 6.547 2.643 6.273 1.00 13.55 N ATOM 12 CA GLY A 2 6.236 1.352 5.689 1.00 51.12 C ATOM 13 C GLY A 2 6.502 1.312 4.197 1.00 31.11 C ATOM 14 O GLY A 2 7.380 0.583 3.735 1.00 4.11 O ATOM 0 H GLY A 2 6.749 3.381 5.599 1.00 13.55 H new ATOM 0 HA2 GLY A 2 6.829 0.581 6.182 1.00 51.12 H new ATOM 0 HA3 GLY A 2 5.188 1.115 5.875 1.00 51.12 H new ATOM 18 N HIS A 3 5.740 2.096 3.440 1.00 25.14 N ATOM 19 CA HIS A 3 5.898 2.146 1.991 1.00 13.12 C ATOM 20 C HIS A 3 7.135 2.951 1.607 1.00 43.34 C ATOM 21 O HIS A 3 7.663 3.718 2.411 1.00 10.42 O ATOM 22 CB HIS A 3 4.655 2.758 1.343 1.00 23.20 C ATOM 23 CG HIS A 3 3.381 2.067 1.721 1.00 41.31 C ATOM 24 ND1 HIS A 3 2.986 0.865 1.174 1.00 72.14 N ATOM 25 CD2 HIS A 3 2.412 2.416 2.599 1.00 53.23 C ATOM 26 CE1 HIS A 3 1.828 0.505 1.697 1.00 14.12 C ATOM 27 NE2 HIS A 3 1.458 1.429 2.565 1.00 14.23 N ATOM 0 H HIS A 3 5.008 2.705 3.806 1.00 25.14 H new ATOM 0 HA HIS A 3 6.023 1.126 1.628 1.00 13.12 H new ATOM 0 HB2 HIS A 3 4.587 3.808 1.627 1.00 23.20 H new ATOM 0 HB3 HIS A 3 4.768 2.727 0.259 1.00 23.20 H new ATOM 0 HD2 HIS A 3 2.393 3.305 3.212 1.00 53.23 H new ATOM 0 HE1 HIS A 3 1.277 -0.392 1.456 1.00 14.12 H new ATOM 0 HE2 HIS A 3 0.602 1.412 3.120 1.00 14.23 H new ATOM 35 N MET A 4 7.593 2.770 0.372 1.00 1.11 N ATOM 36 CA MET A 4 8.769 3.480 -0.119 1.00 15.35 C ATOM 37 C MET A 4 8.363 4.712 -0.922 1.00 44.00 C ATOM 38 O MET A 4 8.935 4.992 -1.975 1.00 44.10 O ATOM 39 CB MET A 4 9.627 2.554 -0.981 1.00 63.14 C ATOM 40 CG MET A 4 10.490 1.598 -0.174 1.00 22.02 C ATOM 41 SD MET A 4 9.562 0.185 0.453 1.00 71.12 S ATOM 42 CE MET A 4 9.157 -0.659 -1.075 1.00 3.44 C ATOM 0 H MET A 4 7.168 2.138 -0.307 1.00 1.11 H new ATOM 0 HA MET A 4 9.353 3.806 0.742 1.00 15.35 H new ATOM 0 HB2 MET A 4 8.976 1.977 -1.638 1.00 63.14 H new ATOM 0 HB3 MET A 4 10.270 3.159 -1.621 1.00 63.14 H new ATOM 0 HG2 MET A 4 11.310 1.241 -0.797 1.00 22.02 H new ATOM 0 HG3 MET A 4 10.936 2.135 0.663 1.00 22.02 H new ATOM 0 HE1 MET A 4 9.013 -1.721 -0.877 1.00 3.44 H new ATOM 0 HE2 MET A 4 8.241 -0.239 -1.491 1.00 3.44 H new ATOM 0 HE3 MET A 4 9.971 -0.531 -1.788 1.00 3.44 H new ATOM 52 N GLN A 5 7.374 5.443 -0.418 1.00 61.31 N ATOM 53 CA GLN A 5 6.893 6.644 -1.091 1.00 31.42 C ATOM 54 C GLN A 5 7.554 7.892 -0.516 1.00 23.32 C ATOM 55 O GLN A 5 7.092 9.010 -0.740 1.00 74.44 O ATOM 56 CB GLN A 5 5.373 6.752 -0.961 1.00 74.20 C ATOM 57 CG GLN A 5 4.616 6.082 -2.097 1.00 12.41 C ATOM 58 CD GLN A 5 3.115 6.092 -1.884 1.00 11.41 C ATOM 59 OE1 GLN A 5 2.604 6.806 -1.021 1.00 15.14 O ATOM 60 NE2 GLN A 5 2.400 5.298 -2.672 1.00 54.40 N ATOM 0 H GLN A 5 6.890 5.225 0.453 1.00 61.31 H new ATOM 0 HA GLN A 5 7.156 6.569 -2.146 1.00 31.42 H new ATOM 0 HB2 GLN A 5 5.065 6.304 -0.016 1.00 74.20 H new ATOM 0 HB3 GLN A 5 5.094 7.805 -0.921 1.00 74.20 H new ATOM 0 HG2 GLN A 5 4.850 6.589 -3.033 1.00 12.41 H new ATOM 0 HG3 GLN A 5 4.958 5.052 -2.199 1.00 12.41 H new ATOM 0 HE21 GLN A 5 2.865 4.723 -3.374 1.00 54.40 H new ATOM 0 HE22 GLN A 5 1.385 5.263 -2.575 1.00 54.40 H new ATOM 69 N GLU A 6 8.638 7.692 0.227 1.00 5.22 N ATOM 70 CA GLU A 6 9.362 8.803 0.835 1.00 21.42 C ATOM 71 C GLU A 6 9.961 9.712 -0.234 1.00 10.12 C ATOM 72 O GLU A 6 10.457 9.242 -1.257 1.00 75.24 O ATOM 73 CB GLU A 6 10.469 8.278 1.752 1.00 33.05 C ATOM 74 CG GLU A 6 11.414 7.303 1.070 1.00 11.41 C ATOM 75 CD GLU A 6 11.023 5.856 1.297 1.00 70.00 C ATOM 76 OE1 GLU A 6 10.492 5.548 2.384 1.00 21.43 O ATOM 77 OE2 GLU A 6 11.248 5.032 0.386 1.00 21.41 O ATOM 0 H GLU A 6 9.034 6.773 0.422 1.00 5.22 H new ATOM 0 HA GLU A 6 8.655 9.384 1.427 1.00 21.42 H new ATOM 0 HB2 GLU A 6 11.044 9.122 2.133 1.00 33.05 H new ATOM 0 HB3 GLU A 6 10.014 7.788 2.613 1.00 33.05 H new ATOM 0 HG2 GLU A 6 11.430 7.507 -0.001 1.00 11.41 H new ATOM 0 HG3 GLU A 6 12.426 7.464 1.441 1.00 11.41 H new ATOM 84 N ALA A 7 9.910 11.017 0.012 1.00 45.20 N ATOM 85 CA ALA A 7 10.449 11.993 -0.928 1.00 33.14 C ATOM 86 C ALA A 7 11.499 12.875 -0.261 1.00 53.53 C ATOM 87 O ALA A 7 11.367 13.240 0.907 1.00 20.02 O ATOM 88 CB ALA A 7 9.328 12.846 -1.503 1.00 34.30 C ATOM 0 H ALA A 7 9.501 11.423 0.854 1.00 45.20 H new ATOM 0 HA ALA A 7 10.931 11.451 -1.741 1.00 33.14 H new ATOM 0 HB1 ALA A 7 9.744 13.570 -2.203 1.00 34.30 H new ATOM 0 HB2 ALA A 7 8.615 12.207 -2.023 1.00 34.30 H new ATOM 0 HB3 ALA A 7 8.821 13.373 -0.695 1.00 34.30 H new ATOM 94 N VAL A 8 12.542 13.215 -1.012 1.00 11.53 N ATOM 95 CA VAL A 8 13.615 14.056 -0.494 1.00 32.14 C ATOM 96 C VAL A 8 13.777 15.319 -1.332 1.00 12.13 C ATOM 97 O VAL A 8 13.692 15.278 -2.559 1.00 70.02 O ATOM 98 CB VAL A 8 14.956 13.299 -0.462 1.00 74.51 C ATOM 99 CG1 VAL A 8 16.002 14.097 0.300 1.00 21.23 C ATOM 100 CG2 VAL A 8 14.773 11.919 0.152 1.00 23.14 C ATOM 0 H VAL A 8 12.667 12.921 -1.981 1.00 11.53 H new ATOM 0 HA VAL A 8 13.337 14.332 0.523 1.00 32.14 H new ATOM 0 HB VAL A 8 15.307 13.172 -1.486 1.00 74.51 H new ATOM 0 HG11 VAL A 8 16.942 13.546 0.312 1.00 21.23 H new ATOM 0 HG12 VAL A 8 16.152 15.060 -0.188 1.00 21.23 H new ATOM 0 HG13 VAL A 8 15.663 14.258 1.323 1.00 21.23 H new ATOM 0 HG21 VAL A 8 15.730 11.398 0.167 1.00 23.14 H new ATOM 0 HG22 VAL A 8 14.399 12.021 1.171 1.00 23.14 H new ATOM 0 HG23 VAL A 8 14.058 11.349 -0.441 1.00 23.14 H new ATOM 110 N VAL A 9 14.011 16.442 -0.660 1.00 41.23 N ATOM 111 CA VAL A 9 14.187 17.718 -1.343 1.00 11.51 C ATOM 112 C VAL A 9 15.527 18.353 -0.986 1.00 35.32 C ATOM 113 O VAL A 9 15.907 18.409 0.184 1.00 44.53 O ATOM 114 CB VAL A 9 13.056 18.703 -0.992 1.00 55.13 C ATOM 115 CG1 VAL A 9 13.200 19.989 -1.791 1.00 41.32 C ATOM 116 CG2 VAL A 9 11.698 18.063 -1.238 1.00 34.11 C ATOM 0 H VAL A 9 14.083 16.494 0.356 1.00 41.23 H new ATOM 0 HA VAL A 9 14.160 17.510 -2.413 1.00 11.51 H new ATOM 0 HB VAL A 9 13.130 18.951 0.067 1.00 55.13 H new ATOM 0 HG11 VAL A 9 12.392 20.672 -1.529 1.00 41.32 H new ATOM 0 HG12 VAL A 9 14.158 20.455 -1.561 1.00 41.32 H new ATOM 0 HG13 VAL A 9 13.153 19.763 -2.856 1.00 41.32 H new ATOM 0 HG21 VAL A 9 10.910 18.773 -0.985 1.00 34.11 H new ATOM 0 HG22 VAL A 9 11.612 17.785 -2.288 1.00 34.11 H new ATOM 0 HG23 VAL A 9 11.598 17.173 -0.617 1.00 34.11 H new ATOM 126 N LYS A 10 16.238 18.830 -2.001 1.00 64.43 N ATOM 127 CA LYS A 10 17.536 19.462 -1.796 1.00 51.42 C ATOM 128 C LYS A 10 17.452 20.966 -2.038 1.00 43.11 C ATOM 129 O LYS A 10 16.936 21.413 -3.063 1.00 73.53 O ATOM 130 CB LYS A 10 18.581 18.843 -2.727 1.00 22.25 C ATOM 131 CG LYS A 10 18.265 19.021 -4.201 1.00 73.13 C ATOM 132 CD LYS A 10 18.960 20.243 -4.777 1.00 65.34 C ATOM 133 CE LYS A 10 20.351 19.902 -5.290 1.00 4.11 C ATOM 134 NZ LYS A 10 21.256 21.085 -5.268 1.00 12.03 N ATOM 0 H LYS A 10 15.937 18.791 -2.975 1.00 64.43 H new ATOM 0 HA LYS A 10 17.835 19.293 -0.761 1.00 51.42 H new ATOM 0 HB2 LYS A 10 19.553 19.289 -2.516 1.00 22.25 H new ATOM 0 HB3 LYS A 10 18.665 17.778 -2.508 1.00 22.25 H new ATOM 0 HG2 LYS A 10 18.575 18.132 -4.750 1.00 73.13 H new ATOM 0 HG3 LYS A 10 17.187 19.118 -4.334 1.00 73.13 H new ATOM 0 HD2 LYS A 10 18.362 20.654 -5.590 1.00 65.34 H new ATOM 0 HD3 LYS A 10 19.032 21.016 -4.012 1.00 65.34 H new ATOM 0 HE2 LYS A 10 20.778 19.107 -4.679 1.00 4.11 H new ATOM 0 HE3 LYS A 10 20.279 19.519 -6.308 1.00 4.11 H new ATOM 0 HZ1 LYS A 10 21.868 21.070 -6.109 1.00 12.03 H new ATOM 0 HZ2 LYS A 10 20.688 21.956 -5.268 1.00 12.03 H new ATOM 0 HZ3 LYS A 10 21.845 21.056 -4.411 1.00 12.03 H new ATOM 148 N LEU A 11 17.964 21.743 -1.090 1.00 23.54 N ATOM 149 CA LEU A 11 17.949 23.197 -1.200 1.00 50.15 C ATOM 150 C LEU A 11 19.355 23.770 -1.050 1.00 33.53 C ATOM 151 O LEU A 11 20.206 23.184 -0.380 1.00 73.32 O ATOM 152 CB LEU A 11 17.024 23.799 -0.141 1.00 44.20 C ATOM 153 CG LEU A 11 15.637 23.168 -0.024 1.00 74.12 C ATOM 154 CD1 LEU A 11 15.159 23.191 1.420 1.00 45.24 C ATOM 155 CD2 LEU A 11 14.645 23.888 -0.927 1.00 65.30 C ATOM 0 H LEU A 11 18.395 21.390 -0.236 1.00 23.54 H new ATOM 0 HA LEU A 11 17.575 23.458 -2.190 1.00 50.15 H new ATOM 0 HB2 LEU A 11 17.518 23.725 0.828 1.00 44.20 H new ATOM 0 HB3 LEU A 11 16.901 24.861 -0.356 1.00 44.20 H new ATOM 0 HG LEU A 11 15.704 22.129 -0.346 1.00 74.12 H new ATOM 0 HD11 LEU A 11 14.170 22.738 1.483 1.00 45.24 H new ATOM 0 HD12 LEU A 11 15.856 22.630 2.043 1.00 45.24 H new ATOM 0 HD13 LEU A 11 15.108 24.222 1.770 1.00 45.24 H new ATOM 0 HD21 LEU A 11 13.663 23.425 -0.831 1.00 65.30 H new ATOM 0 HD22 LEU A 11 14.582 24.936 -0.635 1.00 65.30 H new ATOM 0 HD23 LEU A 11 14.979 23.819 -1.962 1.00 65.30 H new ATOM 167 N ARG A 12 19.590 24.918 -1.675 1.00 3.52 N ATOM 168 CA ARG A 12 20.893 25.571 -1.609 1.00 75.22 C ATOM 169 C ARG A 12 21.025 26.393 -0.331 1.00 12.32 C ATOM 170 O ARG A 12 20.193 27.254 -0.045 1.00 14.20 O ATOM 171 CB ARG A 12 21.099 26.469 -2.830 1.00 55.41 C ATOM 172 CG ARG A 12 22.556 26.626 -3.232 1.00 0.21 C ATOM 173 CD ARG A 12 22.689 27.126 -4.662 1.00 31.30 C ATOM 174 NE ARG A 12 23.924 26.665 -5.290 1.00 62.11 N ATOM 175 CZ ARG A 12 24.222 26.874 -6.568 1.00 15.43 C ATOM 176 NH1 ARG A 12 23.377 27.534 -7.349 1.00 3.13 N ATOM 177 NH2 ARG A 12 25.366 26.424 -7.066 1.00 53.04 N ATOM 0 H ARG A 12 18.896 25.416 -2.233 1.00 3.52 H new ATOM 0 HA ARG A 12 21.660 24.797 -1.603 1.00 75.22 H new ATOM 0 HB2 ARG A 12 20.541 26.058 -3.671 1.00 55.41 H new ATOM 0 HB3 ARG A 12 20.680 27.454 -2.621 1.00 55.41 H new ATOM 0 HG2 ARG A 12 23.048 27.323 -2.554 1.00 0.21 H new ATOM 0 HG3 ARG A 12 23.068 25.669 -3.131 1.00 0.21 H new ATOM 0 HD2 ARG A 12 21.835 26.784 -5.247 1.00 31.30 H new ATOM 0 HD3 ARG A 12 22.664 28.216 -4.669 1.00 31.30 H new ATOM 0 HE ARG A 12 24.595 26.154 -4.716 1.00 62.11 H new ATOM 0 HH11 ARG A 12 22.497 27.882 -6.969 1.00 3.13 H new ATOM 0 HH12 ARG A 12 23.607 27.694 -8.330 1.00 3.13 H new ATOM 0 HH21 ARG A 12 26.018 25.917 -6.468 1.00 53.04 H new ATOM 0 HH22 ARG A 12 25.594 26.585 -8.047 1.00 53.04 H new ATOM 191 N VAL A 13 22.076 26.121 0.435 1.00 5.55 N ATOM 192 CA VAL A 13 22.318 26.836 1.683 1.00 5.11 C ATOM 193 C VAL A 13 23.083 28.132 1.435 1.00 61.50 C ATOM 194 O VAL A 13 23.931 28.202 0.546 1.00 3.03 O ATOM 195 CB VAL A 13 23.108 25.970 2.682 1.00 24.10 C ATOM 196 CG1 VAL A 13 23.106 26.610 4.062 1.00 22.50 C ATOM 197 CG2 VAL A 13 22.534 24.562 2.737 1.00 53.42 C ATOM 0 H VAL A 13 22.774 25.411 0.214 1.00 5.55 H new ATOM 0 HA VAL A 13 21.342 27.069 2.108 1.00 5.11 H new ATOM 0 HB VAL A 13 24.141 25.903 2.341 1.00 24.10 H new ATOM 0 HG11 VAL A 13 23.669 25.984 4.754 1.00 22.50 H new ATOM 0 HG12 VAL A 13 23.568 27.596 4.007 1.00 22.50 H new ATOM 0 HG13 VAL A 13 22.080 26.710 4.415 1.00 22.50 H new ATOM 0 HG21 VAL A 13 23.104 23.964 3.448 1.00 53.42 H new ATOM 0 HG22 VAL A 13 21.492 24.606 3.054 1.00 53.42 H new ATOM 0 HG23 VAL A 13 22.594 24.106 1.749 1.00 53.42 H new ATOM 207 N GLU A 14 22.777 29.154 2.227 1.00 12.22 N ATOM 208 CA GLU A 14 23.436 30.448 2.093 1.00 72.05 C ATOM 209 C GLU A 14 24.623 30.556 3.045 1.00 21.52 C ATOM 210 O GLU A 14 25.755 30.782 2.620 1.00 22.14 O ATOM 211 CB GLU A 14 22.445 31.581 2.366 1.00 55.14 C ATOM 212 CG GLU A 14 23.038 32.967 2.178 1.00 11.31 C ATOM 213 CD GLU A 14 22.636 33.601 0.860 1.00 30.43 C ATOM 214 OE1 GLU A 14 22.478 32.857 -0.131 1.00 4.02 O ATOM 215 OE2 GLU A 14 22.479 34.839 0.820 1.00 64.34 O ATOM 0 H GLU A 14 22.077 29.111 2.968 1.00 12.22 H new ATOM 0 HA GLU A 14 23.804 30.535 1.071 1.00 72.05 H new ATOM 0 HB2 GLU A 14 21.587 31.469 1.703 1.00 55.14 H new ATOM 0 HB3 GLU A 14 22.074 31.489 3.387 1.00 55.14 H new ATOM 0 HG2 GLU A 14 22.718 33.609 2.998 1.00 11.31 H new ATOM 0 HG3 GLU A 14 24.125 32.903 2.229 1.00 11.31 H new ATOM 222 N GLY A 15 24.355 30.392 4.337 1.00 34.11 N ATOM 223 CA GLY A 15 25.409 30.475 5.330 1.00 24.33 C ATOM 224 C GLY A 15 26.475 29.414 5.134 1.00 13.35 C ATOM 225 O GLY A 15 27.623 29.729 4.824 1.00 61.13 O ATOM 0 H GLY A 15 23.426 30.203 4.713 1.00 34.11 H new ATOM 0 HA2 GLY A 15 25.870 31.462 5.285 1.00 24.33 H new ATOM 0 HA3 GLY A 15 24.976 30.371 6.325 1.00 24.33 H new ATOM 229 N MET A 16 26.094 28.154 5.318 1.00 10.32 N ATOM 230 CA MET A 16 27.026 27.044 5.160 1.00 61.00 C ATOM 231 C MET A 16 28.391 27.392 5.747 1.00 74.25 C ATOM 232 O MET A 16 29.420 26.897 5.287 1.00 24.31 O ATOM 233 CB MET A 16 27.172 26.679 3.681 1.00 34.04 C ATOM 234 CG MET A 16 26.573 25.327 3.327 1.00 5.15 C ATOM 235 SD MET A 16 27.471 23.953 4.075 1.00 42.35 S ATOM 236 CE MET A 16 29.114 24.224 3.415 1.00 62.12 C ATOM 0 H MET A 16 25.147 27.877 5.576 1.00 10.32 H new ATOM 0 HA MET A 16 26.626 26.186 5.701 1.00 61.00 H new ATOM 0 HB2 MET A 16 26.693 27.449 3.076 1.00 34.04 H new ATOM 0 HB3 MET A 16 28.230 26.679 3.418 1.00 34.04 H new ATOM 0 HG2 MET A 16 25.534 25.298 3.654 1.00 5.15 H new ATOM 0 HG3 MET A 16 26.570 25.207 2.244 1.00 5.15 H new ATOM 0 HE1 MET A 16 29.541 23.272 3.099 1.00 62.12 H new ATOM 0 HE2 MET A 16 29.056 24.897 2.560 1.00 62.12 H new ATOM 0 HE3 MET A 16 29.746 24.668 4.184 1.00 62.12 H new ATOM 246 N THR A 17 28.392 28.247 6.764 1.00 12.14 N ATOM 247 CA THR A 17 29.629 28.662 7.412 1.00 4.15 C ATOM 248 C THR A 17 30.488 27.457 7.781 1.00 13.54 C ATOM 249 O THR A 17 30.023 26.317 7.743 1.00 2.40 O ATOM 250 CB THR A 17 29.349 29.487 8.683 1.00 62.21 C ATOM 251 OG1 THR A 17 28.006 29.983 8.659 1.00 62.14 O ATOM 252 CG2 THR A 17 30.323 30.650 8.799 1.00 72.13 C ATOM 0 H THR A 17 27.549 28.666 7.157 1.00 12.14 H new ATOM 0 HA THR A 17 30.167 29.283 6.696 1.00 4.15 H new ATOM 0 HB THR A 17 29.480 28.837 9.548 1.00 62.21 H new ATOM 0 HG1 THR A 17 27.835 30.505 9.471 1.00 62.14 H new ATOM 0 HG21 THR A 17 30.106 31.218 9.704 1.00 72.13 H new ATOM 0 HG22 THR A 17 31.343 30.267 8.847 1.00 72.13 H new ATOM 0 HG23 THR A 17 30.220 31.299 7.930 1.00 72.13 H new ATOM 260 N CYS A 18 31.740 27.717 8.139 1.00 23.10 N ATOM 261 CA CYS A 18 32.664 26.653 8.515 1.00 21.43 C ATOM 262 C CYS A 18 32.063 25.770 9.604 1.00 14.33 C ATOM 263 O CYS A 18 32.400 24.592 9.718 1.00 1.43 O ATOM 264 CB CYS A 18 33.989 27.245 8.996 1.00 3.43 C ATOM 265 SG CYS A 18 34.875 28.192 7.736 1.00 63.22 S ATOM 0 H CYS A 18 32.139 28.655 8.177 1.00 23.10 H new ATOM 0 HA CYS A 18 32.848 26.038 7.634 1.00 21.43 H new ATOM 0 HB2 CYS A 18 33.796 27.891 9.852 1.00 3.43 H new ATOM 0 HB3 CYS A 18 34.631 26.436 9.345 1.00 3.43 H new ATOM 0 HG CYS A 18 35.981 28.654 8.238 1.00 63.22 H new ATOM 271 N GLN A 19 31.172 26.349 10.403 1.00 53.42 N ATOM 272 CA GLN A 19 30.525 25.616 11.484 1.00 24.35 C ATOM 273 C GLN A 19 29.936 24.304 10.976 1.00 11.14 C ATOM 274 O GLN A 19 29.386 24.244 9.877 1.00 40.13 O ATOM 275 CB GLN A 19 29.428 26.469 12.123 1.00 74.51 C ATOM 276 CG GLN A 19 28.937 25.929 13.457 1.00 54.33 C ATOM 277 CD GLN A 19 30.066 25.681 14.437 1.00 12.33 C ATOM 278 OE1 GLN A 19 30.508 24.547 14.618 1.00 22.53 O ATOM 279 NE2 GLN A 19 30.539 26.745 15.077 1.00 62.54 N ATOM 0 H GLN A 19 30.882 27.324 10.322 1.00 53.42 H new ATOM 0 HA GLN A 19 31.280 25.387 12.236 1.00 24.35 H new ATOM 0 HB2 GLN A 19 29.804 27.482 12.267 1.00 74.51 H new ATOM 0 HB3 GLN A 19 28.585 26.537 11.435 1.00 74.51 H new ATOM 0 HG2 GLN A 19 28.231 26.636 13.893 1.00 54.33 H new ATOM 0 HG3 GLN A 19 28.394 24.998 13.290 1.00 54.33 H new ATOM 0 HE21 GLN A 19 30.142 27.667 14.896 1.00 62.54 H new ATOM 0 HE22 GLN A 19 31.299 26.640 15.749 1.00 62.54 H new ATOM 288 N SER A 20 30.055 23.255 11.784 1.00 13.32 N ATOM 289 CA SER A 20 29.537 21.943 11.414 1.00 2.15 C ATOM 290 C SER A 20 28.023 21.885 11.596 1.00 44.43 C ATOM 291 O SER A 20 27.510 21.071 12.364 1.00 52.02 O ATOM 292 CB SER A 20 30.205 20.853 12.255 1.00 72.21 C ATOM 293 OG SER A 20 30.043 19.578 11.658 1.00 70.12 O ATOM 0 H SER A 20 30.505 23.288 12.699 1.00 13.32 H new ATOM 0 HA SER A 20 29.766 21.773 10.362 1.00 2.15 H new ATOM 0 HB2 SER A 20 31.267 21.074 12.366 1.00 72.21 H new ATOM 0 HB3 SER A 20 29.774 20.847 13.256 1.00 72.21 H new ATOM 0 HG SER A 20 30.480 18.899 12.213 1.00 70.12 H new ATOM 299 N CYS A 21 27.315 22.755 10.884 1.00 63.24 N ATOM 300 CA CYS A 21 25.860 22.805 10.965 1.00 32.44 C ATOM 301 C CYS A 21 25.244 21.490 10.498 1.00 53.13 C ATOM 302 O CYS A 21 24.196 21.072 10.992 1.00 5.40 O ATOM 303 CB CYS A 21 25.320 23.962 10.125 1.00 43.54 C ATOM 304 SG CYS A 21 25.867 23.941 8.401 1.00 24.13 S ATOM 0 H CYS A 21 27.725 23.435 10.244 1.00 63.24 H new ATOM 0 HA CYS A 21 25.585 22.964 12.008 1.00 32.44 H new ATOM 0 HB2 CYS A 21 24.231 23.937 10.150 1.00 43.54 H new ATOM 0 HB3 CYS A 21 25.628 24.903 10.581 1.00 43.54 H new ATOM 0 HG CYS A 21 25.357 24.957 7.771 1.00 24.13 H new ATOM 310 N VAL A 22 25.900 20.843 9.540 1.00 20.41 N ATOM 311 CA VAL A 22 25.417 19.576 9.004 1.00 32.54 C ATOM 312 C VAL A 22 25.161 18.569 10.120 1.00 12.05 C ATOM 313 O VAL A 22 24.127 17.902 10.143 1.00 33.44 O ATOM 314 CB VAL A 22 26.419 18.971 8.003 1.00 53.02 C ATOM 315 CG1 VAL A 22 25.835 17.729 7.347 1.00 20.45 C ATOM 316 CG2 VAL A 22 26.812 20.002 6.955 1.00 33.33 C ATOM 0 H VAL A 22 26.768 21.176 9.119 1.00 20.41 H new ATOM 0 HA VAL A 22 24.481 19.788 8.487 1.00 32.54 H new ATOM 0 HB VAL A 22 27.317 18.677 8.547 1.00 53.02 H new ATOM 0 HG11 VAL A 22 26.557 17.316 6.643 1.00 20.45 H new ATOM 0 HG12 VAL A 22 25.608 16.986 8.112 1.00 20.45 H new ATOM 0 HG13 VAL A 22 24.921 17.994 6.815 1.00 20.45 H new ATOM 0 HG21 VAL A 22 27.520 19.558 6.256 1.00 33.33 H new ATOM 0 HG22 VAL A 22 25.924 20.328 6.414 1.00 33.33 H new ATOM 0 HG23 VAL A 22 27.274 20.860 7.444 1.00 33.33 H new ATOM 326 N SER A 23 26.110 18.465 11.046 1.00 54.35 N ATOM 327 CA SER A 23 25.989 17.537 12.164 1.00 53.41 C ATOM 328 C SER A 23 24.821 17.924 13.067 1.00 44.21 C ATOM 329 O SER A 23 24.115 17.063 13.590 1.00 31.40 O ATOM 330 CB SER A 23 27.287 17.509 12.973 1.00 13.12 C ATOM 331 OG SER A 23 27.977 16.286 12.787 1.00 21.42 O ATOM 0 H SER A 23 26.971 19.012 11.044 1.00 54.35 H new ATOM 0 HA SER A 23 25.799 16.542 11.760 1.00 53.41 H new ATOM 0 HB2 SER A 23 27.925 18.340 12.672 1.00 13.12 H new ATOM 0 HB3 SER A 23 27.063 17.647 14.031 1.00 13.12 H new ATOM 0 HG SER A 23 28.804 16.294 13.313 1.00 21.42 H new ATOM 337 N SER A 24 24.626 19.227 13.245 1.00 34.20 N ATOM 338 CA SER A 24 23.547 19.729 14.088 1.00 52.44 C ATOM 339 C SER A 24 22.187 19.431 13.464 1.00 34.04 C ATOM 340 O SER A 24 21.225 19.120 14.167 1.00 15.12 O ATOM 341 CB SER A 24 23.701 21.236 14.306 1.00 61.23 C ATOM 342 OG SER A 24 23.000 21.658 15.462 1.00 13.23 O ATOM 0 H SER A 24 25.200 19.953 12.817 1.00 34.20 H new ATOM 0 HA SER A 24 23.605 19.222 15.051 1.00 52.44 H new ATOM 0 HB2 SER A 24 24.757 21.486 14.406 1.00 61.23 H new ATOM 0 HB3 SER A 24 23.327 21.773 13.434 1.00 61.23 H new ATOM 0 HG SER A 24 23.115 22.624 15.580 1.00 13.23 H new ATOM 348 N ILE A 25 22.115 19.528 12.141 1.00 22.01 N ATOM 349 CA ILE A 25 20.874 19.268 11.422 1.00 21.34 C ATOM 350 C ILE A 25 20.439 17.815 11.585 1.00 42.13 C ATOM 351 O ILE A 25 19.247 17.512 11.597 1.00 13.22 O ATOM 352 CB ILE A 25 21.015 19.585 9.922 1.00 2.00 C ATOM 353 CG1 ILE A 25 21.434 21.043 9.724 1.00 15.40 C ATOM 354 CG2 ILE A 25 19.710 19.299 9.195 1.00 14.52 C ATOM 355 CD1 ILE A 25 22.341 21.255 8.532 1.00 14.42 C ATOM 0 H ILE A 25 22.902 19.785 11.545 1.00 22.01 H new ATOM 0 HA ILE A 25 20.116 19.922 11.853 1.00 21.34 H new ATOM 0 HB ILE A 25 21.790 18.944 9.501 1.00 2.00 H new ATOM 0 HG12 ILE A 25 20.541 21.656 9.604 1.00 15.40 H new ATOM 0 HG13 ILE A 25 21.942 21.392 10.623 1.00 15.40 H new ATOM 0 HG21 ILE A 25 19.826 19.528 8.136 1.00 14.52 H new ATOM 0 HG22 ILE A 25 19.451 18.247 9.312 1.00 14.52 H new ATOM 0 HG23 ILE A 25 18.916 19.917 9.615 1.00 14.52 H new ATOM 0 HD11 ILE A 25 22.597 22.311 8.453 1.00 14.42 H new ATOM 0 HD12 ILE A 25 23.251 20.669 8.659 1.00 14.42 H new ATOM 0 HD13 ILE A 25 21.829 20.937 7.624 1.00 14.42 H new ATOM 367 N GLU A 26 21.415 16.921 11.710 1.00 2.33 N ATOM 368 CA GLU A 26 21.132 15.500 11.873 1.00 43.10 C ATOM 369 C GLU A 26 20.358 15.244 13.163 1.00 70.33 C ATOM 370 O GLU A 26 19.442 14.423 13.197 1.00 24.31 O ATOM 371 CB GLU A 26 22.434 14.696 11.878 1.00 31.41 C ATOM 372 CG GLU A 26 22.534 13.693 10.741 1.00 31.53 C ATOM 373 CD GLU A 26 23.475 12.546 11.056 1.00 32.21 C ATOM 374 OE1 GLU A 26 24.403 12.745 11.868 1.00 73.35 O ATOM 375 OE2 GLU A 26 23.282 11.449 10.491 1.00 63.04 O ATOM 0 H GLU A 26 22.408 17.156 11.702 1.00 2.33 H new ATOM 0 HA GLU A 26 20.518 15.179 11.032 1.00 43.10 H new ATOM 0 HB2 GLU A 26 23.277 15.385 11.819 1.00 31.41 H new ATOM 0 HB3 GLU A 26 22.521 14.167 12.827 1.00 31.41 H new ATOM 0 HG2 GLU A 26 21.543 13.296 10.524 1.00 31.53 H new ATOM 0 HG3 GLU A 26 22.877 14.203 9.841 1.00 31.53 H new ATOM 382 N GLY A 27 20.734 15.953 14.223 1.00 73.02 N ATOM 383 CA GLY A 27 20.066 15.788 15.500 1.00 34.15 C ATOM 384 C GLY A 27 18.614 16.221 15.456 1.00 74.33 C ATOM 385 O GLY A 27 17.780 15.702 16.198 1.00 73.52 O ATOM 0 H GLY A 27 21.489 16.639 14.220 1.00 73.02 H new ATOM 0 HA2 GLY A 27 20.121 14.742 15.803 1.00 34.15 H new ATOM 0 HA3 GLY A 27 20.592 16.367 16.259 1.00 34.15 H new ATOM 389 N LYS A 28 18.309 17.176 14.584 1.00 44.11 N ATOM 390 CA LYS A 28 16.948 17.680 14.444 1.00 3.25 C ATOM 391 C LYS A 28 16.002 16.573 13.990 1.00 1.50 C ATOM 392 O LYS A 28 14.893 16.440 14.507 1.00 10.02 O ATOM 393 CB LYS A 28 16.912 18.839 13.446 1.00 55.22 C ATOM 394 CG LYS A 28 16.912 20.209 14.103 1.00 63.41 C ATOM 395 CD LYS A 28 15.613 20.471 14.846 1.00 2.21 C ATOM 396 CE LYS A 28 15.828 20.497 16.352 1.00 73.33 C ATOM 397 NZ LYS A 28 16.825 21.527 16.752 1.00 2.15 N ATOM 0 H LYS A 28 18.987 17.617 13.963 1.00 44.11 H new ATOM 0 HA LYS A 28 16.617 18.038 15.419 1.00 3.25 H new ATOM 0 HB2 LYS A 28 17.774 18.763 12.783 1.00 55.22 H new ATOM 0 HB3 LYS A 28 16.022 18.744 12.824 1.00 55.22 H new ATOM 0 HG2 LYS A 28 17.750 20.281 14.797 1.00 63.41 H new ATOM 0 HG3 LYS A 28 17.060 20.977 13.344 1.00 63.41 H new ATOM 0 HD2 LYS A 28 15.192 21.422 14.521 1.00 2.21 H new ATOM 0 HD3 LYS A 28 14.886 19.698 14.594 1.00 2.21 H new ATOM 0 HE2 LYS A 28 14.880 20.697 16.851 1.00 73.33 H new ATOM 0 HE3 LYS A 28 16.165 19.516 16.688 1.00 73.33 H new ATOM 0 HZ1 LYS A 28 16.570 21.914 17.683 1.00 2.15 H new ATOM 0 HZ2 LYS A 28 17.769 21.095 16.803 1.00 2.15 H new ATOM 0 HZ3 LYS A 28 16.833 22.294 16.049 1.00 2.15 H new ATOM 411 N VAL A 29 16.448 15.781 13.021 1.00 61.24 N ATOM 412 CA VAL A 29 15.642 14.684 12.499 1.00 60.35 C ATOM 413 C VAL A 29 15.126 13.796 13.626 1.00 52.35 C ATOM 414 O VAL A 29 13.952 13.426 13.650 1.00 60.25 O ATOM 415 CB VAL A 29 16.444 13.821 11.507 1.00 60.44 C ATOM 416 CG1 VAL A 29 15.618 12.629 11.046 1.00 2.03 C ATOM 417 CG2 VAL A 29 16.897 14.656 10.319 1.00 1.30 C ATOM 0 H VAL A 29 17.363 15.878 12.581 1.00 61.24 H new ATOM 0 HA VAL A 29 14.796 15.133 11.978 1.00 60.35 H new ATOM 0 HB VAL A 29 17.331 13.444 12.016 1.00 60.44 H new ATOM 0 HG11 VAL A 29 16.201 12.031 10.346 1.00 2.03 H new ATOM 0 HG12 VAL A 29 15.348 12.018 11.908 1.00 2.03 H new ATOM 0 HG13 VAL A 29 14.712 12.983 10.554 1.00 2.03 H new ATOM 0 HG21 VAL A 29 17.462 14.030 9.629 1.00 1.30 H new ATOM 0 HG22 VAL A 29 16.025 15.065 9.808 1.00 1.30 H new ATOM 0 HG23 VAL A 29 17.529 15.473 10.668 1.00 1.30 H new ATOM 427 N ARG A 30 16.010 13.459 14.558 1.00 4.23 N ATOM 428 CA ARG A 30 15.644 12.614 15.689 1.00 44.34 C ATOM 429 C ARG A 30 14.442 13.190 16.431 1.00 73.24 C ATOM 430 O ARG A 30 13.679 12.458 17.061 1.00 33.33 O ATOM 431 CB ARG A 30 16.827 12.469 16.648 1.00 61.20 C ATOM 432 CG ARG A 30 16.628 11.390 17.701 1.00 44.45 C ATOM 433 CD ARG A 30 17.101 10.033 17.204 1.00 42.14 C ATOM 434 NE ARG A 30 17.194 9.056 18.285 1.00 0.23 N ATOM 435 CZ ARG A 30 17.353 7.753 18.086 1.00 21.54 C ATOM 436 NH1 ARG A 30 17.437 7.272 16.854 1.00 42.04 N ATOM 437 NH2 ARG A 30 17.429 6.927 19.122 1.00 21.42 N ATOM 0 H ARG A 30 16.985 13.758 14.553 1.00 4.23 H new ATOM 0 HA ARG A 30 15.374 11.631 15.304 1.00 44.34 H new ATOM 0 HB2 ARG A 30 17.725 12.242 16.073 1.00 61.20 H new ATOM 0 HB3 ARG A 30 17.000 13.423 17.146 1.00 61.20 H new ATOM 0 HG2 ARG A 30 17.174 11.658 18.606 1.00 44.45 H new ATOM 0 HG3 ARG A 30 15.573 11.333 17.970 1.00 44.45 H new ATOM 0 HD2 ARG A 30 16.413 9.666 16.442 1.00 42.14 H new ATOM 0 HD3 ARG A 30 18.076 10.141 16.728 1.00 42.14 H new ATOM 0 HE ARG A 30 17.133 9.393 19.246 1.00 0.23 H new ATOM 0 HH11 ARG A 30 17.380 7.903 16.055 1.00 42.04 H new ATOM 0 HH12 ARG A 30 17.559 6.270 16.705 1.00 42.04 H new ATOM 0 HH21 ARG A 30 17.365 7.293 20.072 1.00 21.42 H new ATOM 0 HH22 ARG A 30 17.551 5.926 18.968 1.00 21.42 H new ATOM 451 N LYS A 31 14.279 14.506 16.351 1.00 14.13 N ATOM 452 CA LYS A 31 13.169 15.181 17.014 1.00 41.42 C ATOM 453 C LYS A 31 11.996 15.368 16.057 1.00 71.41 C ATOM 454 O LYS A 31 10.864 15.599 16.484 1.00 40.41 O ATOM 455 CB LYS A 31 13.621 16.540 17.554 1.00 42.14 C ATOM 456 CG LYS A 31 14.873 16.468 18.411 1.00 12.02 C ATOM 457 CD LYS A 31 14.617 15.721 19.709 1.00 21.42 C ATOM 458 CE LYS A 31 15.791 15.850 20.668 1.00 51.53 C ATOM 459 NZ LYS A 31 15.422 15.450 22.054 1.00 62.33 N ATOM 0 H LYS A 31 14.901 15.127 15.834 1.00 14.13 H new ATOM 0 HA LYS A 31 12.841 14.557 17.845 1.00 41.42 H new ATOM 0 HB2 LYS A 31 13.803 17.212 16.716 1.00 42.14 H new ATOM 0 HB3 LYS A 31 12.813 16.975 18.142 1.00 42.14 H new ATOM 0 HG2 LYS A 31 15.668 15.971 17.855 1.00 12.02 H new ATOM 0 HG3 LYS A 31 15.222 17.477 18.633 1.00 12.02 H new ATOM 0 HD2 LYS A 31 13.715 16.110 20.182 1.00 21.42 H new ATOM 0 HD3 LYS A 31 14.435 14.668 19.494 1.00 21.42 H new ATOM 0 HE2 LYS A 31 16.616 15.229 20.318 1.00 51.53 H new ATOM 0 HE3 LYS A 31 16.147 16.880 20.670 1.00 51.53 H new ATOM 0 HZ1 LYS A 31 16.249 15.552 22.677 1.00 62.33 H new ATOM 0 HZ2 LYS A 31 14.652 16.059 22.398 1.00 62.33 H new ATOM 0 HZ3 LYS A 31 15.107 14.459 22.057 1.00 62.33 H new ATOM 473 N LEU A 32 12.273 15.263 14.762 1.00 54.32 N ATOM 474 CA LEU A 32 11.239 15.419 13.744 1.00 63.42 C ATOM 475 C LEU A 32 10.396 14.153 13.627 1.00 54.32 C ATOM 476 O LEU A 32 10.923 13.042 13.636 1.00 64.35 O ATOM 477 CB LEU A 32 11.873 15.749 12.392 1.00 45.34 C ATOM 478 CG LEU A 32 11.986 17.235 12.048 1.00 12.14 C ATOM 479 CD1 LEU A 32 10.606 17.871 11.971 1.00 65.25 C ATOM 480 CD2 LEU A 32 12.850 17.955 13.073 1.00 10.41 C ATOM 0 H LEU A 32 13.204 15.071 14.392 1.00 54.32 H new ATOM 0 HA LEU A 32 10.589 16.241 14.044 1.00 63.42 H new ATOM 0 HB2 LEU A 32 12.872 15.314 12.366 1.00 45.34 H new ATOM 0 HB3 LEU A 32 11.291 15.259 11.611 1.00 45.34 H new ATOM 0 HG LEU A 32 12.462 17.328 11.072 1.00 12.14 H new ATOM 0 HD11 LEU A 32 10.706 18.928 11.725 1.00 65.25 H new ATOM 0 HD12 LEU A 32 10.018 17.373 11.200 1.00 65.25 H new ATOM 0 HD13 LEU A 32 10.104 17.768 12.933 1.00 65.25 H new ATOM 0 HD21 LEU A 32 12.920 19.011 12.813 1.00 10.41 H new ATOM 0 HD22 LEU A 32 12.402 17.854 14.062 1.00 10.41 H new ATOM 0 HD23 LEU A 32 13.848 17.517 13.080 1.00 10.41 H new ATOM 492 N GLN A 33 9.083 14.332 13.515 1.00 22.54 N ATOM 493 CA GLN A 33 8.167 13.204 13.395 1.00 61.51 C ATOM 494 C GLN A 33 8.036 12.762 11.941 1.00 32.10 C ATOM 495 O GLN A 33 7.970 11.569 11.648 1.00 63.13 O ATOM 496 CB GLN A 33 6.792 13.574 13.954 1.00 63.10 C ATOM 497 CG GLN A 33 6.131 14.733 13.225 1.00 24.15 C ATOM 498 CD GLN A 33 4.807 15.132 13.845 1.00 12.41 C ATOM 499 OE1 GLN A 33 4.529 14.817 15.003 1.00 63.45 O ATOM 500 NE2 GLN A 33 3.980 15.831 13.076 1.00 1.42 N ATOM 0 H GLN A 33 8.631 15.246 13.505 1.00 22.54 H new ATOM 0 HA GLN A 33 8.574 12.374 13.973 1.00 61.51 H new ATOM 0 HB2 GLN A 33 6.140 12.702 13.899 1.00 63.10 H new ATOM 0 HB3 GLN A 33 6.895 13.830 15.009 1.00 63.10 H new ATOM 0 HG2 GLN A 33 6.803 15.591 13.229 1.00 24.15 H new ATOM 0 HG3 GLN A 33 5.972 14.458 12.182 1.00 24.15 H new ATOM 0 HE21 GLN A 33 4.250 16.070 12.122 1.00 1.42 H new ATOM 0 HE22 GLN A 33 3.074 16.128 13.439 1.00 1.42 H new ATOM 509 N GLY A 34 7.997 13.733 11.034 1.00 44.04 N ATOM 510 CA GLY A 34 7.873 13.424 9.621 1.00 24.11 C ATOM 511 C GLY A 34 9.212 13.137 8.971 1.00 61.13 C ATOM 512 O GLY A 34 9.453 12.029 8.491 1.00 31.24 O ATOM 0 H GLY A 34 8.049 14.728 11.252 1.00 44.04 H new ATOM 0 HA2 GLY A 34 7.220 12.560 9.497 1.00 24.11 H new ATOM 0 HA3 GLY A 34 7.396 14.260 9.110 1.00 24.11 H new ATOM 516 N VAL A 35 10.086 14.138 8.952 1.00 41.31 N ATOM 517 CA VAL A 35 11.408 13.988 8.355 1.00 52.53 C ATOM 518 C VAL A 35 12.027 12.645 8.722 1.00 64.35 C ATOM 519 O VAL A 35 11.915 12.187 9.859 1.00 70.43 O ATOM 520 CB VAL A 35 12.356 15.117 8.800 1.00 2.41 C ATOM 521 CG1 VAL A 35 13.353 14.603 9.828 1.00 53.41 C ATOM 522 CG2 VAL A 35 13.075 15.713 7.599 1.00 5.24 C ATOM 0 H VAL A 35 9.903 15.062 9.343 1.00 41.31 H new ATOM 0 HA VAL A 35 11.275 14.040 7.274 1.00 52.53 H new ATOM 0 HB VAL A 35 11.763 15.904 9.266 1.00 2.41 H new ATOM 0 HG11 VAL A 35 14.015 15.415 10.131 1.00 53.41 H new ATOM 0 HG12 VAL A 35 12.816 14.228 10.700 1.00 53.41 H new ATOM 0 HG13 VAL A 35 13.943 13.797 9.391 1.00 53.41 H new ATOM 0 HG21 VAL A 35 13.741 16.509 7.932 1.00 5.24 H new ATOM 0 HG22 VAL A 35 13.657 14.937 7.102 1.00 5.24 H new ATOM 0 HG23 VAL A 35 12.343 16.120 6.902 1.00 5.24 H new ATOM 532 N VAL A 36 12.683 12.017 7.750 1.00 31.35 N ATOM 533 CA VAL A 36 13.323 10.725 7.971 1.00 13.21 C ATOM 534 C VAL A 36 14.783 10.897 8.375 1.00 15.15 C ATOM 535 O VAL A 36 15.237 10.314 9.360 1.00 64.24 O ATOM 536 CB VAL A 36 13.251 9.841 6.712 1.00 71.00 C ATOM 537 CG1 VAL A 36 13.506 8.384 7.067 1.00 13.12 C ATOM 538 CG2 VAL A 36 11.904 10.003 6.024 1.00 71.21 C ATOM 0 H VAL A 36 12.785 12.382 6.803 1.00 31.35 H new ATOM 0 HA VAL A 36 12.780 10.237 8.780 1.00 13.21 H new ATOM 0 HB VAL A 36 14.028 10.162 6.019 1.00 71.00 H new ATOM 0 HG11 VAL A 36 13.451 7.775 6.165 1.00 13.12 H new ATOM 0 HG12 VAL A 36 14.496 8.286 7.511 1.00 13.12 H new ATOM 0 HG13 VAL A 36 12.753 8.046 7.779 1.00 13.12 H new ATOM 0 HG21 VAL A 36 11.871 9.371 5.136 1.00 71.21 H new ATOM 0 HG22 VAL A 36 11.108 9.709 6.709 1.00 71.21 H new ATOM 0 HG23 VAL A 36 11.767 11.045 5.733 1.00 71.21 H new ATOM 548 N ARG A 37 15.512 11.702 7.610 1.00 61.22 N ATOM 549 CA ARG A 37 16.922 11.950 7.888 1.00 55.32 C ATOM 550 C ARG A 37 17.446 13.109 7.045 1.00 50.02 C ATOM 551 O ARG A 37 16.768 13.584 6.133 1.00 2.15 O ATOM 552 CB ARG A 37 17.747 10.692 7.614 1.00 70.21 C ATOM 553 CG ARG A 37 18.238 9.999 8.875 1.00 41.24 C ATOM 554 CD ARG A 37 19.614 9.383 8.672 1.00 55.01 C ATOM 555 NE ARG A 37 19.601 8.342 7.647 1.00 4.33 N ATOM 556 CZ ARG A 37 20.551 7.422 7.523 1.00 4.21 C ATOM 557 NH1 ARG A 37 21.584 7.414 8.355 1.00 34.22 N ATOM 558 NH2 ARG A 37 20.470 6.508 6.565 1.00 32.32 N ATOM 0 H ARG A 37 15.150 12.194 6.793 1.00 61.22 H new ATOM 0 HA ARG A 37 17.018 12.216 8.941 1.00 55.32 H new ATOM 0 HB2 ARG A 37 17.145 9.991 7.036 1.00 70.21 H new ATOM 0 HB3 ARG A 37 18.606 10.958 6.998 1.00 70.21 H new ATOM 0 HG2 ARG A 37 18.277 10.717 9.694 1.00 41.24 H new ATOM 0 HG3 ARG A 37 17.530 9.223 9.164 1.00 41.24 H new ATOM 0 HD2 ARG A 37 20.322 10.162 8.389 1.00 55.01 H new ATOM 0 HD3 ARG A 37 19.965 8.961 9.614 1.00 55.01 H new ATOM 0 HE ARG A 37 18.820 8.321 6.991 1.00 4.33 H new ATOM 0 HH11 ARG A 37 21.650 8.116 9.092 1.00 34.22 H new ATOM 0 HH12 ARG A 37 22.312 6.706 8.257 1.00 34.22 H new ATOM 0 HH21 ARG A 37 19.678 6.511 5.923 1.00 32.32 H new ATOM 0 HH22 ARG A 37 21.200 5.802 6.471 1.00 32.32 H new ATOM 572 N VAL A 38 18.657 13.560 7.356 1.00 62.32 N ATOM 573 CA VAL A 38 19.273 14.662 6.627 1.00 2.10 C ATOM 574 C VAL A 38 20.533 14.205 5.900 1.00 32.32 C ATOM 575 O VAL A 38 21.401 13.557 6.486 1.00 53.01 O ATOM 576 CB VAL A 38 19.632 15.827 7.569 1.00 74.10 C ATOM 577 CG1 VAL A 38 20.781 15.438 8.486 1.00 31.22 C ATOM 578 CG2 VAL A 38 19.977 17.073 6.767 1.00 34.14 C ATOM 0 H VAL A 38 19.231 13.179 8.108 1.00 62.32 H new ATOM 0 HA VAL A 38 18.541 15.006 5.897 1.00 2.10 H new ATOM 0 HB VAL A 38 18.764 16.051 8.189 1.00 74.10 H new ATOM 0 HG11 VAL A 38 21.020 16.273 9.144 1.00 31.22 H new ATOM 0 HG12 VAL A 38 20.492 14.575 9.086 1.00 31.22 H new ATOM 0 HG13 VAL A 38 21.656 15.186 7.886 1.00 31.22 H new ATOM 0 HG21 VAL A 38 20.228 17.886 7.448 1.00 34.14 H new ATOM 0 HG22 VAL A 38 20.829 16.865 6.120 1.00 34.14 H new ATOM 0 HG23 VAL A 38 19.121 17.362 6.157 1.00 34.14 H new ATOM 588 N LYS A 39 20.627 14.546 4.620 1.00 42.14 N ATOM 589 CA LYS A 39 21.782 14.173 3.811 1.00 75.22 C ATOM 590 C LYS A 39 22.610 15.401 3.445 1.00 35.51 C ATOM 591 O LYS A 39 23.410 15.366 2.510 1.00 32.02 O ATOM 592 CB LYS A 39 21.328 13.453 2.539 1.00 54.23 C ATOM 593 CG LYS A 39 22.465 12.811 1.765 1.00 65.54 C ATOM 594 CD LYS A 39 22.340 11.296 1.743 1.00 0.42 C ATOM 595 CE LYS A 39 23.678 10.630 1.462 1.00 41.21 C ATOM 596 NZ LYS A 39 24.270 11.095 0.177 1.00 72.23 N ATOM 0 H LYS A 39 19.917 15.081 4.119 1.00 42.14 H new ATOM 0 HA LYS A 39 22.405 13.500 4.400 1.00 75.22 H new ATOM 0 HB2 LYS A 39 20.602 12.685 2.806 1.00 54.23 H new ATOM 0 HB3 LYS A 39 20.816 14.165 1.892 1.00 54.23 H new ATOM 0 HG2 LYS A 39 22.471 13.191 0.743 1.00 65.54 H new ATOM 0 HG3 LYS A 39 23.417 13.092 2.215 1.00 65.54 H new ATOM 0 HD2 LYS A 39 21.953 10.948 2.701 1.00 0.42 H new ATOM 0 HD3 LYS A 39 21.618 11.001 0.981 1.00 0.42 H new ATOM 0 HE2 LYS A 39 24.368 10.843 2.278 1.00 41.21 H new ATOM 0 HE3 LYS A 39 23.546 9.548 1.431 1.00 41.21 H new ATOM 0 HZ1 LYS A 39 25.089 10.501 -0.063 1.00 72.23 H new ATOM 0 HZ2 LYS A 39 23.559 11.025 -0.578 1.00 72.23 H new ATOM 0 HZ3 LYS A 39 24.576 12.084 0.274 1.00 72.23 H new ATOM 610 N VAL A 40 22.413 16.484 4.189 1.00 51.50 N ATOM 611 CA VAL A 40 23.143 17.722 3.944 1.00 5.35 C ATOM 612 C VAL A 40 24.618 17.446 3.676 1.00 44.04 C ATOM 613 O VAL A 40 25.282 16.755 4.448 1.00 20.23 O ATOM 614 CB VAL A 40 23.023 18.690 5.137 1.00 52.14 C ATOM 615 CG1 VAL A 40 24.056 19.801 5.029 1.00 2.05 C ATOM 616 CG2 VAL A 40 21.616 19.265 5.215 1.00 25.25 C ATOM 0 H VAL A 40 21.754 16.529 4.966 1.00 51.50 H new ATOM 0 HA VAL A 40 22.696 18.184 3.064 1.00 5.35 H new ATOM 0 HB VAL A 40 23.217 18.135 6.055 1.00 52.14 H new ATOM 0 HG11 VAL A 40 23.956 20.475 5.880 1.00 2.05 H new ATOM 0 HG12 VAL A 40 25.056 19.368 5.024 1.00 2.05 H new ATOM 0 HG13 VAL A 40 23.897 20.357 4.105 1.00 2.05 H new ATOM 0 HG21 VAL A 40 21.548 19.947 6.063 1.00 25.25 H new ATOM 0 HG22 VAL A 40 21.393 19.806 4.296 1.00 25.25 H new ATOM 0 HG23 VAL A 40 20.898 18.455 5.343 1.00 25.25 H new ATOM 626 N SER A 41 25.126 17.991 2.575 1.00 51.24 N ATOM 627 CA SER A 41 26.523 17.801 2.201 1.00 34.13 C ATOM 628 C SER A 41 27.301 19.107 2.326 1.00 1.10 C ATOM 629 O SER A 41 27.121 20.029 1.530 1.00 40.44 O ATOM 630 CB SER A 41 26.622 17.269 0.770 1.00 0.41 C ATOM 631 OG SER A 41 27.943 16.851 0.472 1.00 33.22 O ATOM 0 H SER A 41 24.591 18.568 1.926 1.00 51.24 H new ATOM 0 HA SER A 41 26.960 17.072 2.883 1.00 34.13 H new ATOM 0 HB2 SER A 41 25.935 16.433 0.641 1.00 0.41 H new ATOM 0 HB3 SER A 41 26.315 18.045 0.068 1.00 0.41 H new ATOM 0 HG SER A 41 27.980 16.514 -0.447 1.00 33.22 H new ATOM 637 N LEU A 42 28.167 19.179 3.331 1.00 70.51 N ATOM 638 CA LEU A 42 28.974 20.371 3.562 1.00 44.42 C ATOM 639 C LEU A 42 29.996 20.562 2.445 1.00 12.01 C ATOM 640 O LEU A 42 30.375 21.688 2.123 1.00 63.21 O ATOM 641 CB LEU A 42 29.689 20.274 4.911 1.00 51.32 C ATOM 642 CG LEU A 42 30.135 21.599 5.531 1.00 34.01 C ATOM 643 CD1 LEU A 42 30.213 21.480 7.045 1.00 23.32 C ATOM 644 CD2 LEU A 42 31.476 22.032 4.958 1.00 63.41 C ATOM 0 H LEU A 42 28.328 18.425 3.999 1.00 70.51 H new ATOM 0 HA LEU A 42 28.308 21.234 3.572 1.00 44.42 H new ATOM 0 HB2 LEU A 42 29.026 19.771 5.615 1.00 51.32 H new ATOM 0 HB3 LEU A 42 30.567 19.639 4.790 1.00 51.32 H new ATOM 0 HG LEU A 42 29.395 22.361 5.285 1.00 34.01 H new ATOM 0 HD11 LEU A 42 30.532 22.432 7.469 1.00 23.32 H new ATOM 0 HD12 LEU A 42 29.232 21.217 7.440 1.00 23.32 H new ATOM 0 HD13 LEU A 42 30.931 20.705 7.313 1.00 23.32 H new ATOM 0 HD21 LEU A 42 31.777 22.977 5.411 1.00 63.41 H new ATOM 0 HD22 LEU A 42 32.226 21.271 5.173 1.00 63.41 H new ATOM 0 HD23 LEU A 42 31.387 22.159 3.879 1.00 63.41 H new ATOM 656 N SER A 43 30.435 19.454 1.857 1.00 44.24 N ATOM 657 CA SER A 43 31.414 19.499 0.777 1.00 41.04 C ATOM 658 C SER A 43 30.792 20.064 -0.497 1.00 21.30 C ATOM 659 O SER A 43 31.478 20.669 -1.320 1.00 74.30 O ATOM 660 CB SER A 43 31.973 18.100 0.508 1.00 40.51 C ATOM 661 OG SER A 43 31.196 17.418 -0.461 1.00 10.11 O ATOM 0 H SER A 43 30.129 18.515 2.110 1.00 44.24 H new ATOM 0 HA SER A 43 32.228 20.155 1.085 1.00 41.04 H new ATOM 0 HB2 SER A 43 33.004 18.177 0.163 1.00 40.51 H new ATOM 0 HB3 SER A 43 31.989 17.527 1.435 1.00 40.51 H new ATOM 0 HG SER A 43 31.575 16.528 -0.616 1.00 10.11 H new ATOM 667 N ASN A 44 29.488 19.861 -0.651 1.00 73.32 N ATOM 668 CA ASN A 44 28.772 20.349 -1.824 1.00 73.44 C ATOM 669 C ASN A 44 28.050 21.657 -1.516 1.00 70.01 C ATOM 670 O ASN A 44 27.363 22.214 -2.372 1.00 4.31 O ATOM 671 CB ASN A 44 27.767 19.300 -2.307 1.00 41.40 C ATOM 672 CG ASN A 44 27.557 19.349 -3.808 1.00 52.21 C ATOM 673 OD1 ASN A 44 28.255 18.676 -4.566 1.00 44.31 O ATOM 674 ND2 ASN A 44 26.590 20.148 -4.244 1.00 41.42 N ATOM 0 H ASN A 44 28.906 19.362 0.021 1.00 73.32 H new ATOM 0 HA ASN A 44 29.501 20.534 -2.613 1.00 73.44 H new ATOM 0 HB2 ASN A 44 28.118 18.307 -2.024 1.00 41.40 H new ATOM 0 HB3 ASN A 44 26.813 19.456 -1.804 1.00 41.40 H new ATOM 0 HD21 ASN A 44 26.401 20.222 -5.244 1.00 41.42 H new ATOM 0 HD22 ASN A 44 26.036 20.688 -3.579 1.00 41.42 H new ATOM 681 N GLN A 45 28.212 22.141 -0.289 1.00 34.42 N ATOM 682 CA GLN A 45 27.575 23.383 0.132 1.00 3.21 C ATOM 683 C GLN A 45 26.078 23.352 -0.154 1.00 34.11 C ATOM 684 O GLN A 45 25.495 24.353 -0.568 1.00 14.33 O ATOM 685 CB GLN A 45 28.217 24.576 -0.579 1.00 24.23 C ATOM 686 CG GLN A 45 29.720 24.670 -0.372 1.00 5.21 C ATOM 687 CD GLN A 45 30.389 25.601 -1.364 1.00 52.41 C ATOM 688 OE1 GLN A 45 30.189 25.485 -2.574 1.00 10.44 O ATOM 689 NE2 GLN A 45 31.188 26.533 -0.857 1.00 30.42 N ATOM 0 H GLN A 45 28.779 21.692 0.431 1.00 34.42 H new ATOM 0 HA GLN A 45 27.718 23.489 1.207 1.00 3.21 H new ATOM 0 HB2 GLN A 45 28.009 24.507 -1.647 1.00 24.23 H new ATOM 0 HB3 GLN A 45 27.751 25.495 -0.222 1.00 24.23 H new ATOM 0 HG2 GLN A 45 29.922 25.018 0.641 1.00 5.21 H new ATOM 0 HG3 GLN A 45 30.158 23.676 -0.460 1.00 5.21 H new ATOM 0 HE21 GLN A 45 31.325 26.593 0.152 1.00 30.42 H new ATOM 0 HE22 GLN A 45 31.664 27.188 -1.477 1.00 30.42 H new ATOM 698 N GLU A 46 25.461 22.195 0.069 1.00 5.24 N ATOM 699 CA GLU A 46 24.031 22.034 -0.166 1.00 4.30 C ATOM 700 C GLU A 46 23.359 21.347 1.019 1.00 70.21 C ATOM 701 O GLU A 46 24.015 20.676 1.815 1.00 61.22 O ATOM 702 CB GLU A 46 23.790 21.226 -1.443 1.00 12.43 C ATOM 703 CG GLU A 46 23.782 19.723 -1.220 1.00 14.54 C ATOM 704 CD GLU A 46 24.310 18.953 -2.414 1.00 41.42 C ATOM 705 OE1 GLU A 46 24.027 19.365 -3.559 1.00 0.04 O ATOM 706 OE2 GLU A 46 25.007 17.939 -2.204 1.00 23.31 O ATOM 0 H GLU A 46 25.929 21.356 0.412 1.00 5.24 H new ATOM 0 HA GLU A 46 23.594 23.025 -0.284 1.00 4.30 H new ATOM 0 HB2 GLU A 46 22.836 21.525 -1.878 1.00 12.43 H new ATOM 0 HB3 GLU A 46 24.563 21.473 -2.170 1.00 12.43 H new ATOM 0 HG2 GLU A 46 24.386 19.486 -0.344 1.00 14.54 H new ATOM 0 HG3 GLU A 46 22.765 19.397 -1.003 1.00 14.54 H new ATOM 713 N ALA A 47 22.046 21.520 1.129 1.00 51.13 N ATOM 714 CA ALA A 47 21.284 20.916 2.214 1.00 32.05 C ATOM 715 C ALA A 47 20.192 19.998 1.675 1.00 41.34 C ATOM 716 O ALA A 47 19.348 20.420 0.884 1.00 71.42 O ATOM 717 CB ALA A 47 20.679 21.996 3.099 1.00 34.10 C ATOM 0 H ALA A 47 21.488 22.074 0.479 1.00 51.13 H new ATOM 0 HA ALA A 47 21.967 20.312 2.811 1.00 32.05 H new ATOM 0 HB1 ALA A 47 20.112 21.530 3.905 1.00 34.10 H new ATOM 0 HB2 ALA A 47 21.475 22.608 3.522 1.00 34.10 H new ATOM 0 HB3 ALA A 47 20.015 22.624 2.505 1.00 34.10 H new ATOM 723 N VAL A 48 20.215 18.741 2.106 1.00 0.33 N ATOM 724 CA VAL A 48 19.227 17.764 1.666 1.00 33.24 C ATOM 725 C VAL A 48 18.289 17.379 2.806 1.00 43.24 C ATOM 726 O VAL A 48 18.735 16.984 3.883 1.00 23.21 O ATOM 727 CB VAL A 48 19.901 16.492 1.119 1.00 33.51 C ATOM 728 CG1 VAL A 48 18.857 15.437 0.782 1.00 44.20 C ATOM 729 CG2 VAL A 48 20.750 16.821 -0.099 1.00 5.12 C ATOM 0 H VAL A 48 20.907 18.375 2.760 1.00 0.33 H new ATOM 0 HA VAL A 48 18.651 18.233 0.868 1.00 33.24 H new ATOM 0 HB VAL A 48 20.555 16.088 1.891 1.00 33.51 H new ATOM 0 HG11 VAL A 48 19.352 14.545 0.397 1.00 44.20 H new ATOM 0 HG12 VAL A 48 18.295 15.181 1.680 1.00 44.20 H new ATOM 0 HG13 VAL A 48 18.175 15.828 0.027 1.00 44.20 H new ATOM 0 HG21 VAL A 48 21.219 15.911 -0.472 1.00 5.12 H new ATOM 0 HG22 VAL A 48 20.119 17.250 -0.877 1.00 5.12 H new ATOM 0 HG23 VAL A 48 21.522 17.539 0.179 1.00 5.12 H new ATOM 739 N ILE A 49 16.989 17.497 2.560 1.00 51.43 N ATOM 740 CA ILE A 49 15.988 17.160 3.565 1.00 43.44 C ATOM 741 C ILE A 49 15.111 16.003 3.101 1.00 63.55 C ATOM 742 O ILE A 49 14.362 16.125 2.131 1.00 45.55 O ATOM 743 CB ILE A 49 15.092 18.369 3.894 1.00 71.32 C ATOM 744 CG1 ILE A 49 15.948 19.610 4.156 1.00 34.22 C ATOM 745 CG2 ILE A 49 14.211 18.063 5.096 1.00 75.45 C ATOM 746 CD1 ILE A 49 16.048 20.537 2.966 1.00 53.54 C ATOM 0 H ILE A 49 16.604 17.823 1.674 1.00 51.43 H new ATOM 0 HA ILE A 49 16.530 16.864 4.463 1.00 43.44 H new ATOM 0 HB ILE A 49 14.448 18.569 3.038 1.00 71.32 H new ATOM 0 HG12 ILE A 49 15.529 20.159 5.000 1.00 34.22 H new ATOM 0 HG13 ILE A 49 16.950 19.295 4.446 1.00 34.22 H new ATOM 0 HG21 ILE A 49 13.584 18.927 5.316 1.00 75.45 H new ATOM 0 HG22 ILE A 49 13.579 17.203 4.875 1.00 75.45 H new ATOM 0 HG23 ILE A 49 14.838 17.840 5.959 1.00 75.45 H new ATOM 0 HD11 ILE A 49 16.669 21.395 3.224 1.00 53.54 H new ATOM 0 HD12 ILE A 49 16.495 20.004 2.126 1.00 53.54 H new ATOM 0 HD13 ILE A 49 15.052 20.881 2.688 1.00 53.54 H new ATOM 758 N THR A 50 15.208 14.877 3.801 1.00 75.41 N ATOM 759 CA THR A 50 14.423 13.696 3.462 1.00 51.12 C ATOM 760 C THR A 50 13.192 13.579 4.354 1.00 42.14 C ATOM 761 O THR A 50 13.305 13.514 5.578 1.00 53.40 O ATOM 762 CB THR A 50 15.260 12.409 3.590 1.00 50.40 C ATOM 763 OG1 THR A 50 16.400 12.479 2.727 1.00 65.10 O ATOM 764 CG2 THR A 50 14.427 11.185 3.241 1.00 43.12 C ATOM 0 H THR A 50 15.823 14.758 4.606 1.00 75.41 H new ATOM 0 HA THR A 50 14.107 13.814 2.425 1.00 51.12 H new ATOM 0 HB THR A 50 15.593 12.319 4.624 1.00 50.40 H new ATOM 0 HG1 THR A 50 16.928 11.658 2.815 1.00 65.10 H new ATOM 0 HG21 THR A 50 15.039 10.288 3.339 1.00 43.12 H new ATOM 0 HG22 THR A 50 13.576 11.119 3.919 1.00 43.12 H new ATOM 0 HG23 THR A 50 14.068 11.269 2.215 1.00 43.12 H new ATOM 772 N TYR A 51 12.018 13.552 3.733 1.00 62.12 N ATOM 773 CA TYR A 51 10.766 13.444 4.471 1.00 15.22 C ATOM 774 C TYR A 51 9.821 12.451 3.801 1.00 44.05 C ATOM 775 O TYR A 51 10.090 11.970 2.700 1.00 30.22 O ATOM 776 CB TYR A 51 10.092 14.814 4.577 1.00 61.52 C ATOM 777 CG TYR A 51 9.201 15.142 3.401 1.00 53.24 C ATOM 778 CD1 TYR A 51 9.728 15.284 2.123 1.00 71.33 C ATOM 779 CD2 TYR A 51 7.832 15.312 3.567 1.00 51.31 C ATOM 780 CE1 TYR A 51 8.918 15.585 1.045 1.00 34.30 C ATOM 781 CE2 TYR A 51 7.014 15.612 2.495 1.00 71.11 C ATOM 782 CZ TYR A 51 7.561 15.747 1.236 1.00 3.31 C ATOM 783 OH TYR A 51 6.750 16.047 0.166 1.00 51.01 O ATOM 0 H TYR A 51 11.908 13.603 2.720 1.00 62.12 H new ATOM 0 HA TYR A 51 10.995 13.080 5.473 1.00 15.22 H new ATOM 0 HB2 TYR A 51 9.500 14.849 5.492 1.00 61.52 H new ATOM 0 HB3 TYR A 51 10.860 15.582 4.665 1.00 61.52 H new ATOM 0 HD1 TYR A 51 10.789 15.157 1.970 1.00 71.33 H new ATOM 0 HD2 TYR A 51 7.400 15.208 4.551 1.00 51.31 H new ATOM 0 HE1 TYR A 51 9.344 15.693 0.059 1.00 34.30 H new ATOM 0 HE2 TYR A 51 5.952 15.740 2.642 1.00 71.11 H new ATOM 0 HH TYR A 51 6.078 15.342 0.057 1.00 51.01 H new ATOM 793 N GLN A 52 8.715 12.150 4.472 1.00 12.35 N ATOM 794 CA GLN A 52 7.730 11.215 3.942 1.00 22.32 C ATOM 795 C GLN A 52 6.354 11.866 3.850 1.00 45.52 C ATOM 796 O GLN A 52 5.909 12.566 4.760 1.00 24.53 O ATOM 797 CB GLN A 52 7.658 9.965 4.822 1.00 54.24 C ATOM 798 CG GLN A 52 8.747 8.948 4.524 1.00 24.15 C ATOM 799 CD GLN A 52 9.011 8.017 5.692 1.00 52.13 C ATOM 800 OE1 GLN A 52 9.456 8.448 6.756 1.00 62.31 O ATOM 801 NE2 GLN A 52 8.736 6.732 5.498 1.00 1.34 N ATOM 0 H GLN A 52 8.478 12.540 5.384 1.00 12.35 H new ATOM 0 HA GLN A 52 8.043 10.928 2.938 1.00 22.32 H new ATOM 0 HB2 GLN A 52 7.727 10.263 5.868 1.00 54.24 H new ATOM 0 HB3 GLN A 52 6.685 9.493 4.689 1.00 54.24 H new ATOM 0 HG2 GLN A 52 8.461 8.359 3.652 1.00 24.15 H new ATOM 0 HG3 GLN A 52 9.668 9.472 4.266 1.00 24.15 H new ATOM 0 HE21 GLN A 52 8.368 6.419 4.599 1.00 1.34 H new ATOM 0 HE22 GLN A 52 8.892 6.058 6.248 1.00 1.34 H new ATOM 810 N PRO A 53 5.664 11.634 2.724 1.00 55.11 N ATOM 811 CA PRO A 53 4.328 12.190 2.486 1.00 60.33 C ATOM 812 C PRO A 53 3.269 11.558 3.382 1.00 31.34 C ATOM 813 O PRO A 53 2.180 12.106 3.555 1.00 41.20 O ATOM 814 CB PRO A 53 4.059 11.849 1.018 1.00 74.20 C ATOM 815 CG PRO A 53 4.903 10.652 0.746 1.00 70.01 C ATOM 816 CD PRO A 53 6.133 10.810 1.597 1.00 55.51 C ATOM 0 HA PRO A 53 4.285 13.257 2.705 1.00 60.33 H new ATOM 0 HB2 PRO A 53 3.004 11.636 0.848 1.00 74.20 H new ATOM 0 HB3 PRO A 53 4.326 12.679 0.364 1.00 74.20 H new ATOM 0 HG2 PRO A 53 4.371 9.734 0.996 1.00 70.01 H new ATOM 0 HG3 PRO A 53 5.165 10.591 -0.310 1.00 70.01 H new ATOM 0 HD2 PRO A 53 6.514 9.846 1.935 1.00 55.51 H new ATOM 0 HD3 PRO A 53 6.940 11.298 1.051 1.00 55.51 H new ATOM 824 N TYR A 54 3.595 10.402 3.951 1.00 11.52 N ATOM 825 CA TYR A 54 2.670 9.695 4.829 1.00 23.00 C ATOM 826 C TYR A 54 2.703 10.278 6.238 1.00 14.53 C ATOM 827 O TYR A 54 1.819 10.012 7.054 1.00 11.10 O ATOM 828 CB TYR A 54 3.015 8.205 4.874 1.00 42.53 C ATOM 829 CG TYR A 54 2.395 7.475 6.044 1.00 43.25 C ATOM 830 CD1 TYR A 54 3.042 7.416 7.272 1.00 13.12 C ATOM 831 CD2 TYR A 54 1.164 6.844 5.920 1.00 20.53 C ATOM 832 CE1 TYR A 54 2.480 6.749 8.344 1.00 54.43 C ATOM 833 CE2 TYR A 54 0.594 6.176 6.987 1.00 73.13 C ATOM 834 CZ TYR A 54 1.255 6.131 8.196 1.00 4.52 C ATOM 835 OH TYR A 54 0.691 5.466 9.260 1.00 2.25 O ATOM 0 H TYR A 54 4.492 9.935 3.820 1.00 11.52 H new ATOM 0 HA TYR A 54 1.664 9.817 4.428 1.00 23.00 H new ATOM 0 HB2 TYR A 54 2.684 7.736 3.947 1.00 42.53 H new ATOM 0 HB3 TYR A 54 4.098 8.093 4.919 1.00 42.53 H new ATOM 0 HD1 TYR A 54 4.000 7.900 7.391 1.00 13.12 H new ATOM 0 HD2 TYR A 54 0.644 6.876 4.974 1.00 20.53 H new ATOM 0 HE1 TYR A 54 2.996 6.712 9.292 1.00 54.43 H new ATOM 0 HE2 TYR A 54 -0.365 5.692 6.874 1.00 73.13 H new ATOM 0 HH TYR A 54 -0.172 5.088 8.989 1.00 2.25 H new ATOM 845 N LEU A 55 3.727 11.076 6.517 1.00 3.55 N ATOM 846 CA LEU A 55 3.877 11.700 7.828 1.00 74.01 C ATOM 847 C LEU A 55 3.711 13.213 7.733 1.00 43.31 C ATOM 848 O LEU A 55 2.712 13.768 8.192 1.00 44.44 O ATOM 849 CB LEU A 55 5.244 11.361 8.423 1.00 45.22 C ATOM 850 CG LEU A 55 5.674 9.897 8.327 1.00 62.12 C ATOM 851 CD1 LEU A 55 7.190 9.781 8.370 1.00 10.42 C ATOM 852 CD2 LEU A 55 5.043 9.081 9.446 1.00 41.41 C ATOM 0 H LEU A 55 4.466 11.307 5.853 1.00 3.55 H new ATOM 0 HA LEU A 55 3.097 11.308 8.481 1.00 74.01 H new ATOM 0 HB2 LEU A 55 5.996 11.973 7.925 1.00 45.22 H new ATOM 0 HB3 LEU A 55 5.242 11.650 9.474 1.00 45.22 H new ATOM 0 HG LEU A 55 5.327 9.499 7.374 1.00 62.12 H new ATOM 0 HD11 LEU A 55 7.477 8.732 8.300 1.00 10.42 H new ATOM 0 HD12 LEU A 55 7.621 10.331 7.533 1.00 10.42 H new ATOM 0 HD13 LEU A 55 7.560 10.197 9.307 1.00 10.42 H new ATOM 0 HD21 LEU A 55 5.360 8.042 9.362 1.00 41.41 H new ATOM 0 HD22 LEU A 55 5.359 9.480 10.410 1.00 41.41 H new ATOM 0 HD23 LEU A 55 3.957 9.136 9.369 1.00 41.41 H new ATOM 864 N ILE A 56 4.696 13.874 7.133 1.00 12.33 N ATOM 865 CA ILE A 56 4.657 15.323 6.975 1.00 24.22 C ATOM 866 C ILE A 56 4.702 15.716 5.503 1.00 43.43 C ATOM 867 O ILE A 56 5.186 14.958 4.663 1.00 41.44 O ATOM 868 CB ILE A 56 5.827 16.001 7.712 1.00 25.32 C ATOM 869 CG1 ILE A 56 5.601 17.512 7.793 1.00 62.25 C ATOM 870 CG2 ILE A 56 7.143 15.693 7.013 1.00 2.10 C ATOM 871 CD1 ILE A 56 6.727 18.256 8.477 1.00 74.23 C ATOM 0 H ILE A 56 5.530 13.430 6.749 1.00 12.33 H new ATOM 0 HA ILE A 56 3.718 15.663 7.411 1.00 24.22 H new ATOM 0 HB ILE A 56 5.876 15.606 8.727 1.00 25.32 H new ATOM 0 HG12 ILE A 56 5.475 17.907 6.785 1.00 62.25 H new ATOM 0 HG13 ILE A 56 4.671 17.704 8.329 1.00 62.25 H new ATOM 0 HG21 ILE A 56 7.960 16.179 7.546 1.00 2.10 H new ATOM 0 HG22 ILE A 56 7.306 14.615 7.003 1.00 2.10 H new ATOM 0 HG23 ILE A 56 7.106 16.064 5.989 1.00 2.10 H new ATOM 0 HD11 ILE A 56 6.499 19.322 8.498 1.00 74.23 H new ATOM 0 HD12 ILE A 56 6.839 17.888 9.497 1.00 74.23 H new ATOM 0 HD13 ILE A 56 7.655 18.095 7.929 1.00 74.23 H new ATOM 883 N GLN A 57 4.196 16.907 5.198 1.00 3.24 N ATOM 884 CA GLN A 57 4.180 17.402 3.827 1.00 60.11 C ATOM 885 C GLN A 57 5.471 18.145 3.501 1.00 64.01 C ATOM 886 O GLN A 57 6.269 18.468 4.381 1.00 43.51 O ATOM 887 CB GLN A 57 2.979 18.323 3.609 1.00 54.30 C ATOM 888 CG GLN A 57 1.834 17.663 2.858 1.00 35.34 C ATOM 889 CD GLN A 57 0.765 18.652 2.436 1.00 61.30 C ATOM 890 OE1 GLN A 57 0.748 19.116 1.296 1.00 64.24 O ATOM 891 NE2 GLN A 57 -0.135 18.980 3.356 1.00 70.25 N ATOM 0 H GLN A 57 3.792 17.547 5.882 1.00 3.24 H new ATOM 0 HA GLN A 57 4.097 16.545 3.159 1.00 60.11 H new ATOM 0 HB2 GLN A 57 2.616 18.668 4.577 1.00 54.30 H new ATOM 0 HB3 GLN A 57 3.304 19.205 3.057 1.00 54.30 H new ATOM 0 HG2 GLN A 57 2.227 17.159 1.975 1.00 35.34 H new ATOM 0 HG3 GLN A 57 1.385 16.896 3.489 1.00 35.34 H new ATOM 0 HE21 GLN A 57 -0.083 18.571 4.289 1.00 70.25 H new ATOM 0 HE22 GLN A 57 -0.878 19.641 3.130 1.00 70.25 H new ATOM 900 N PRO A 58 5.684 18.423 2.206 1.00 61.40 N ATOM 901 CA PRO A 58 6.878 19.131 1.734 1.00 74.10 C ATOM 902 C PRO A 58 6.884 20.598 2.151 1.00 71.34 C ATOM 903 O PRO A 58 7.894 21.111 2.630 1.00 43.44 O ATOM 904 CB PRO A 58 6.784 19.008 0.211 1.00 31.01 C ATOM 905 CG PRO A 58 5.331 18.833 -0.066 1.00 73.51 C ATOM 906 CD PRO A 58 4.776 18.067 1.103 1.00 34.00 C ATOM 0 HA PRO A 58 7.793 18.713 2.153 1.00 74.10 H new ATOM 0 HB2 PRO A 58 7.177 19.897 -0.283 1.00 31.01 H new ATOM 0 HB3 PRO A 58 7.362 18.159 -0.154 1.00 31.01 H new ATOM 0 HG2 PRO A 58 4.835 19.798 -0.171 1.00 73.51 H new ATOM 0 HG3 PRO A 58 5.174 18.290 -0.998 1.00 73.51 H new ATOM 0 HD2 PRO A 58 3.747 18.355 1.320 1.00 34.00 H new ATOM 0 HD3 PRO A 58 4.773 16.993 0.915 1.00 34.00 H new ATOM 914 N GLU A 59 5.750 21.266 1.965 1.00 33.21 N ATOM 915 CA GLU A 59 5.626 22.674 2.322 1.00 4.21 C ATOM 916 C GLU A 59 5.835 22.876 3.820 1.00 4.12 C ATOM 917 O GLU A 59 6.408 23.879 4.248 1.00 34.44 O ATOM 918 CB GLU A 59 4.253 23.209 1.911 1.00 0.20 C ATOM 919 CG GLU A 59 4.158 24.725 1.936 1.00 10.41 C ATOM 920 CD GLU A 59 2.729 25.222 1.833 1.00 40.23 C ATOM 921 OE1 GLU A 59 2.073 25.364 2.886 1.00 3.11 O ATOM 922 OE2 GLU A 59 2.266 25.469 0.699 1.00 25.54 O ATOM 0 H GLU A 59 4.905 20.855 1.569 1.00 33.21 H new ATOM 0 HA GLU A 59 6.398 23.227 1.787 1.00 4.21 H new ATOM 0 HB2 GLU A 59 4.020 22.855 0.907 1.00 0.20 H new ATOM 0 HB3 GLU A 59 3.497 22.795 2.578 1.00 0.20 H new ATOM 0 HG2 GLU A 59 4.603 25.098 2.859 1.00 10.41 H new ATOM 0 HG3 GLU A 59 4.742 25.135 1.112 1.00 10.41 H new ATOM 929 N ASP A 60 5.367 21.917 4.611 1.00 2.12 N ATOM 930 CA ASP A 60 5.503 21.988 6.062 1.00 54.25 C ATOM 931 C ASP A 60 6.963 21.849 6.478 1.00 4.04 C ATOM 932 O ASP A 60 7.436 22.555 7.370 1.00 13.32 O ATOM 933 CB ASP A 60 4.663 20.897 6.728 1.00 61.15 C ATOM 934 CG ASP A 60 3.503 21.463 7.523 1.00 43.21 C ATOM 935 OD1 ASP A 60 3.667 22.547 8.122 1.00 22.20 O ATOM 936 OD2 ASP A 60 2.431 20.823 7.546 1.00 45.13 O ATOM 0 H ASP A 60 4.890 21.081 4.273 1.00 2.12 H new ATOM 0 HA ASP A 60 5.143 22.963 6.389 1.00 54.25 H new ATOM 0 HB2 ASP A 60 4.280 20.220 5.964 1.00 61.15 H new ATOM 0 HB3 ASP A 60 5.298 20.306 7.388 1.00 61.15 H new ATOM 941 N LEU A 61 7.674 20.934 5.829 1.00 60.14 N ATOM 942 CA LEU A 61 9.082 20.701 6.132 1.00 33.22 C ATOM 943 C LEU A 61 9.927 21.915 5.762 1.00 10.41 C ATOM 944 O LEU A 61 11.047 22.076 6.248 1.00 14.11 O ATOM 945 CB LEU A 61 9.587 19.466 5.384 1.00 5.11 C ATOM 946 CG LEU A 61 10.312 19.731 4.064 1.00 54.33 C ATOM 947 CD1 LEU A 61 11.789 19.995 4.309 1.00 62.32 C ATOM 948 CD2 LEU A 61 10.128 18.560 3.110 1.00 31.30 C ATOM 0 H LEU A 61 7.299 20.341 5.089 1.00 60.14 H new ATOM 0 HA LEU A 61 9.174 20.531 7.205 1.00 33.22 H new ATOM 0 HB2 LEU A 61 10.261 18.918 6.042 1.00 5.11 H new ATOM 0 HB3 LEU A 61 8.737 18.814 5.184 1.00 5.11 H new ATOM 0 HG LEU A 61 9.877 20.619 3.605 1.00 54.33 H new ATOM 0 HD11 LEU A 61 12.288 20.181 3.358 1.00 62.32 H new ATOM 0 HD12 LEU A 61 11.901 20.866 4.954 1.00 62.32 H new ATOM 0 HD13 LEU A 61 12.239 19.127 4.791 1.00 62.32 H new ATOM 0 HD21 LEU A 61 10.651 18.766 2.176 1.00 31.30 H new ATOM 0 HD22 LEU A 61 10.535 17.655 3.562 1.00 31.30 H new ATOM 0 HD23 LEU A 61 9.066 18.419 2.908 1.00 31.30 H new ATOM 960 N ARG A 62 9.382 22.768 4.901 1.00 45.52 N ATOM 961 CA ARG A 62 10.086 23.969 4.467 1.00 41.35 C ATOM 962 C ARG A 62 10.450 24.848 5.660 1.00 63.50 C ATOM 963 O ARG A 62 11.554 25.387 5.732 1.00 5.22 O ATOM 964 CB ARG A 62 9.226 24.762 3.480 1.00 31.53 C ATOM 965 CG ARG A 62 9.942 25.955 2.870 1.00 62.04 C ATOM 966 CD ARG A 62 11.243 25.541 2.200 1.00 60.13 C ATOM 967 NE ARG A 62 12.409 25.877 3.013 1.00 34.41 N ATOM 968 CZ ARG A 62 12.813 27.121 3.239 1.00 43.51 C ATOM 969 NH1 ARG A 62 12.150 28.143 2.716 1.00 52.05 N ATOM 970 NH2 ARG A 62 13.884 27.346 3.990 1.00 13.41 N ATOM 0 H ARG A 62 8.456 22.650 4.490 1.00 45.52 H new ATOM 0 HA ARG A 62 11.006 23.660 3.971 1.00 41.35 H new ATOM 0 HB2 ARG A 62 8.899 24.097 2.680 1.00 31.53 H new ATOM 0 HB3 ARG A 62 8.329 25.110 3.991 1.00 31.53 H new ATOM 0 HG2 ARG A 62 9.292 26.436 2.139 1.00 62.04 H new ATOM 0 HG3 ARG A 62 10.149 26.692 3.646 1.00 62.04 H new ATOM 0 HD2 ARG A 62 11.229 24.467 2.013 1.00 60.13 H new ATOM 0 HD3 ARG A 62 11.324 26.032 1.230 1.00 60.13 H new ATOM 0 HE ARG A 62 12.942 25.114 3.430 1.00 34.41 H new ATOM 0 HH11 ARG A 62 11.327 27.975 2.138 1.00 52.05 H new ATOM 0 HH12 ARG A 62 12.463 29.098 2.892 1.00 52.05 H new ATOM 0 HH21 ARG A 62 14.397 26.563 4.394 1.00 13.41 H new ATOM 0 HH22 ARG A 62 14.194 28.302 4.163 1.00 13.41 H new ATOM 984 N ASP A 63 9.515 24.986 6.593 1.00 51.31 N ATOM 985 CA ASP A 63 9.737 25.798 7.784 1.00 41.54 C ATOM 986 C ASP A 63 10.815 25.181 8.669 1.00 43.31 C ATOM 987 O ASP A 63 11.633 25.891 9.256 1.00 71.02 O ATOM 988 CB ASP A 63 8.436 25.950 8.573 1.00 2.35 C ATOM 989 CG ASP A 63 7.346 26.630 7.768 1.00 21.15 C ATOM 990 OD1 ASP A 63 6.941 26.071 6.728 1.00 74.13 O ATOM 991 OD2 ASP A 63 6.898 27.720 8.180 1.00 53.23 O ATOM 0 H ASP A 63 8.596 24.546 6.548 1.00 51.31 H new ATOM 0 HA ASP A 63 10.076 26.783 7.464 1.00 41.54 H new ATOM 0 HB2 ASP A 63 8.090 24.966 8.890 1.00 2.35 H new ATOM 0 HB3 ASP A 63 8.629 26.526 9.478 1.00 2.35 H new ATOM 996 N HIS A 64 10.810 23.855 8.762 1.00 42.23 N ATOM 997 CA HIS A 64 11.788 23.142 9.576 1.00 13.13 C ATOM 998 C HIS A 64 13.209 23.545 9.196 1.00 43.11 C ATOM 999 O HIS A 64 14.077 23.687 10.058 1.00 52.33 O ATOM 1000 CB HIS A 64 11.613 21.632 9.415 1.00 72.21 C ATOM 1001 CG HIS A 64 12.714 20.831 10.039 1.00 42.23 C ATOM 1002 ND1 HIS A 64 13.379 21.227 11.180 1.00 13.02 N ATOM 1003 CD2 HIS A 64 13.266 19.650 9.675 1.00 74.14 C ATOM 1004 CE1 HIS A 64 14.292 20.325 11.490 1.00 25.33 C ATOM 1005 NE2 HIS A 64 14.244 19.357 10.593 1.00 40.15 N ATOM 0 H HIS A 64 10.140 23.253 8.284 1.00 42.23 H new ATOM 0 HA HIS A 64 11.620 23.410 10.619 1.00 13.13 H new ATOM 0 HB2 HIS A 64 10.663 21.335 9.859 1.00 72.21 H new ATOM 0 HB3 HIS A 64 11.557 21.392 8.353 1.00 72.21 H new ATOM 0 HD2 HIS A 64 12.989 19.050 8.821 1.00 74.14 H new ATOM 0 HE1 HIS A 64 14.964 20.371 12.334 1.00 25.33 H new ATOM 0 HE2 HIS A 64 14.837 18.527 10.584 1.00 40.15 H new ATOM 1013 N VAL A 65 13.441 23.727 7.900 1.00 70.24 N ATOM 1014 CA VAL A 65 14.757 24.114 7.405 1.00 31.51 C ATOM 1015 C VAL A 65 15.229 25.409 8.055 1.00 41.43 C ATOM 1016 O VAL A 65 16.398 25.546 8.412 1.00 43.32 O ATOM 1017 CB VAL A 65 14.752 24.291 5.875 1.00 14.42 C ATOM 1018 CG1 VAL A 65 16.144 24.644 5.374 1.00 55.44 C ATOM 1019 CG2 VAL A 65 14.234 23.033 5.195 1.00 50.12 C ATOM 0 H VAL A 65 12.734 23.613 7.173 1.00 70.24 H new ATOM 0 HA VAL A 65 15.443 23.309 7.667 1.00 31.51 H new ATOM 0 HB VAL A 65 14.082 25.114 5.624 1.00 14.42 H new ATOM 0 HG11 VAL A 65 16.121 24.765 4.291 1.00 55.44 H new ATOM 0 HG12 VAL A 65 16.472 25.575 5.836 1.00 55.44 H new ATOM 0 HG13 VAL A 65 16.838 23.845 5.635 1.00 55.44 H new ATOM 0 HG21 VAL A 65 14.237 23.176 4.114 1.00 50.12 H new ATOM 0 HG22 VAL A 65 14.876 22.190 5.452 1.00 50.12 H new ATOM 0 HG23 VAL A 65 13.217 22.830 5.531 1.00 50.12 H new ATOM 1029 N ASN A 66 14.311 26.358 8.205 1.00 12.32 N ATOM 1030 CA ASN A 66 14.633 27.645 8.812 1.00 22.43 C ATOM 1031 C ASN A 66 15.058 27.468 10.267 1.00 14.31 C ATOM 1032 O ASN A 66 15.826 28.268 10.802 1.00 52.23 O ATOM 1033 CB ASN A 66 13.430 28.586 8.731 1.00 41.42 C ATOM 1034 CG ASN A 66 13.515 29.721 9.734 1.00 71.41 C ATOM 1035 OD1 ASN A 66 14.256 30.684 9.538 1.00 64.45 O ATOM 1036 ND2 ASN A 66 12.753 29.611 10.816 1.00 5.13 N ATOM 0 H ASN A 66 13.338 26.260 7.915 1.00 12.32 H new ATOM 0 HA ASN A 66 15.465 28.082 8.259 1.00 22.43 H new ATOM 0 HB2 ASN A 66 13.362 28.999 7.724 1.00 41.42 H new ATOM 0 HB3 ASN A 66 12.516 28.018 8.905 1.00 41.42 H new ATOM 0 HD21 ASN A 66 12.767 30.343 11.526 1.00 5.13 H new ATOM 0 HD22 ASN A 66 12.154 28.795 10.937 1.00 5.13 H new ATOM 1043 N ASP A 67 14.553 26.416 10.901 1.00 33.04 N ATOM 1044 CA ASP A 67 14.880 26.133 12.294 1.00 63.10 C ATOM 1045 C ASP A 67 16.366 25.824 12.451 1.00 71.24 C ATOM 1046 O ASP A 67 16.928 25.964 13.536 1.00 11.44 O ATOM 1047 CB ASP A 67 14.045 24.959 12.808 1.00 4.12 C ATOM 1048 CG ASP A 67 13.849 25.003 14.311 1.00 71.22 C ATOM 1049 OD1 ASP A 67 13.198 25.952 14.796 1.00 23.52 O ATOM 1050 OD2 ASP A 67 14.346 24.089 15.001 1.00 24.35 O ATOM 0 H ASP A 67 13.915 25.745 10.473 1.00 33.04 H new ATOM 0 HA ASP A 67 14.647 27.020 12.884 1.00 63.10 H new ATOM 0 HB2 ASP A 67 13.072 24.966 12.317 1.00 4.12 H new ATOM 0 HB3 ASP A 67 14.532 24.023 12.535 1.00 4.12 H new ATOM 1055 N MET A 68 16.995 25.401 11.359 1.00 5.12 N ATOM 1056 CA MET A 68 18.416 25.072 11.376 1.00 41.00 C ATOM 1057 C MET A 68 19.261 26.322 11.600 1.00 41.12 C ATOM 1058 O MET A 68 20.453 26.233 11.893 1.00 53.45 O ATOM 1059 CB MET A 68 18.821 24.397 10.064 1.00 34.00 C ATOM 1060 CG MET A 68 18.223 23.011 9.885 1.00 64.34 C ATOM 1061 SD MET A 68 18.085 22.533 8.151 1.00 24.14 S ATOM 1062 CE MET A 68 19.664 23.094 7.519 1.00 65.32 C ATOM 0 H MET A 68 16.544 25.278 10.452 1.00 5.12 H new ATOM 0 HA MET A 68 18.594 24.382 12.201 1.00 41.00 H new ATOM 0 HB2 MET A 68 18.513 25.027 9.230 1.00 34.00 H new ATOM 0 HB3 MET A 68 19.908 24.323 10.023 1.00 34.00 H new ATOM 0 HG2 MET A 68 18.840 22.282 10.411 1.00 64.34 H new ATOM 0 HG3 MET A 68 17.235 22.983 10.345 1.00 64.34 H new ATOM 0 HE1 MET A 68 20.064 22.352 6.828 1.00 65.32 H new ATOM 0 HE2 MET A 68 19.531 24.041 6.997 1.00 65.32 H new ATOM 0 HE3 MET A 68 20.360 23.231 8.347 1.00 65.32 H new ATOM 1072 N GLY A 69 18.636 27.487 11.459 1.00 15.15 N ATOM 1073 CA GLY A 69 19.346 28.738 11.650 1.00 50.24 C ATOM 1074 C GLY A 69 19.928 29.276 10.358 1.00 41.44 C ATOM 1075 O GLY A 69 20.425 30.402 10.314 1.00 65.23 O ATOM 0 H GLY A 69 17.650 27.587 11.216 1.00 15.15 H new ATOM 0 HA2 GLY A 69 18.666 29.477 12.074 1.00 50.24 H new ATOM 0 HA3 GLY A 69 20.148 28.590 12.373 1.00 50.24 H new ATOM 1079 N PHE A 70 19.868 28.471 9.303 1.00 63.44 N ATOM 1080 CA PHE A 70 20.396 28.871 8.004 1.00 43.33 C ATOM 1081 C PHE A 70 19.269 29.055 6.992 1.00 63.25 C ATOM 1082 O PHE A 70 18.165 28.544 7.178 1.00 65.04 O ATOM 1083 CB PHE A 70 21.393 27.829 7.491 1.00 13.41 C ATOM 1084 CG PHE A 70 22.580 27.641 8.392 1.00 40.44 C ATOM 1085 CD1 PHE A 70 22.500 26.816 9.502 1.00 64.14 C ATOM 1086 CD2 PHE A 70 23.776 28.290 8.128 1.00 72.21 C ATOM 1087 CE1 PHE A 70 23.591 26.642 10.332 1.00 23.02 C ATOM 1088 CE2 PHE A 70 24.870 28.119 8.955 1.00 42.32 C ATOM 1089 CZ PHE A 70 24.778 27.293 10.058 1.00 51.42 C ATOM 0 H PHE A 70 19.459 27.537 9.322 1.00 63.44 H new ATOM 0 HA PHE A 70 20.910 29.825 8.127 1.00 43.33 H new ATOM 0 HB2 PHE A 70 20.881 26.874 7.374 1.00 13.41 H new ATOM 0 HB3 PHE A 70 21.741 28.127 6.502 1.00 13.41 H new ATOM 0 HD1 PHE A 70 21.575 26.303 9.721 1.00 64.14 H new ATOM 0 HD2 PHE A 70 23.854 28.937 7.266 1.00 72.21 H new ATOM 0 HE1 PHE A 70 23.516 25.997 11.195 1.00 23.02 H new ATOM 0 HE2 PHE A 70 25.796 28.631 8.739 1.00 42.32 H new ATOM 0 HZ PHE A 70 25.632 27.156 10.705 1.00 51.42 H new ATOM 1099 N GLU A 71 19.557 29.788 5.921 1.00 41.42 N ATOM 1100 CA GLU A 71 18.567 30.041 4.880 1.00 24.41 C ATOM 1101 C GLU A 71 18.745 29.072 3.714 1.00 34.25 C ATOM 1102 O GLU A 71 19.832 28.955 3.150 1.00 1.14 O ATOM 1103 CB GLU A 71 18.677 31.483 4.380 1.00 33.41 C ATOM 1104 CG GLU A 71 18.817 32.505 5.496 1.00 63.44 C ATOM 1105 CD GLU A 71 18.681 33.931 5.000 1.00 14.34 C ATOM 1106 OE1 GLU A 71 19.678 34.480 4.487 1.00 11.15 O ATOM 1107 OE2 GLU A 71 17.575 34.499 5.126 1.00 60.31 O ATOM 0 H GLU A 71 20.467 30.217 5.751 1.00 41.42 H new ATOM 0 HA GLU A 71 17.577 29.888 5.310 1.00 24.41 H new ATOM 0 HB2 GLU A 71 19.537 31.564 3.715 1.00 33.41 H new ATOM 0 HB3 GLU A 71 17.793 31.722 3.789 1.00 33.41 H new ATOM 0 HG2 GLU A 71 18.059 32.314 6.256 1.00 63.44 H new ATOM 0 HG3 GLU A 71 19.788 32.382 5.977 1.00 63.44 H new ATOM 1114 N ALA A 72 17.668 28.379 3.360 1.00 74.40 N ATOM 1115 CA ALA A 72 17.703 27.421 2.262 1.00 53.15 C ATOM 1116 C ALA A 72 16.717 27.808 1.164 1.00 3.20 C ATOM 1117 O ALA A 72 15.608 28.262 1.444 1.00 4.24 O ATOM 1118 CB ALA A 72 17.403 26.020 2.773 1.00 75.11 C ATOM 0 H ALA A 72 16.760 28.463 3.818 1.00 74.40 H new ATOM 0 HA ALA A 72 18.706 27.433 1.835 1.00 53.15 H new ATOM 0 HB1 ALA A 72 17.433 25.315 1.942 1.00 75.11 H new ATOM 0 HB2 ALA A 72 18.148 25.736 3.516 1.00 75.11 H new ATOM 0 HB3 ALA A 72 16.413 26.003 3.228 1.00 75.11 H new ATOM 1124 N ALA A 73 17.130 27.626 -0.086 1.00 54.12 N ATOM 1125 CA ALA A 73 16.282 27.955 -1.226 1.00 3.34 C ATOM 1126 C ALA A 73 16.303 26.840 -2.265 1.00 74.22 C ATOM 1127 O ALA A 73 17.347 26.241 -2.526 1.00 54.35 O ATOM 1128 CB ALA A 73 16.725 29.270 -1.850 1.00 62.14 C ATOM 0 H ALA A 73 18.046 27.253 -0.335 1.00 54.12 H new ATOM 0 HA ALA A 73 15.258 28.062 -0.868 1.00 3.34 H new ATOM 0 HB1 ALA A 73 16.084 29.504 -2.700 1.00 62.14 H new ATOM 0 HB2 ALA A 73 16.652 30.067 -1.110 1.00 62.14 H new ATOM 0 HB3 ALA A 73 17.758 29.183 -2.188 1.00 62.14 H new ATOM 1134 N ILE A 74 15.144 26.565 -2.854 1.00 52.33 N ATOM 1135 CA ILE A 74 15.030 25.522 -3.866 1.00 32.34 C ATOM 1136 C ILE A 74 16.074 25.702 -4.962 1.00 3.21 C ATOM 1137 O ILE A 74 16.262 26.803 -5.482 1.00 33.55 O ATOM 1138 CB ILE A 74 13.629 25.508 -4.504 1.00 75.55 C ATOM 1139 CG1 ILE A 74 12.558 25.291 -3.433 1.00 52.21 C ATOM 1140 CG2 ILE A 74 13.544 24.426 -5.572 1.00 11.54 C ATOM 1141 CD1 ILE A 74 11.167 25.683 -3.881 1.00 2.33 C ATOM 0 H ILE A 74 14.271 27.050 -2.648 1.00 52.33 H new ATOM 0 HA ILE A 74 15.199 24.572 -3.360 1.00 32.34 H new ATOM 0 HB ILE A 74 13.452 26.474 -4.977 1.00 75.55 H new ATOM 0 HG12 ILE A 74 12.555 24.241 -3.142 1.00 52.21 H new ATOM 0 HG13 ILE A 74 12.821 25.867 -2.546 1.00 52.21 H new ATOM 0 HG21 ILE A 74 12.548 24.428 -6.014 1.00 11.54 H new ATOM 0 HG22 ILE A 74 14.285 24.621 -6.347 1.00 11.54 H new ATOM 0 HG23 ILE A 74 13.738 23.453 -5.121 1.00 11.54 H new ATOM 0 HD11 ILE A 74 10.460 25.502 -3.072 1.00 2.33 H new ATOM 0 HD12 ILE A 74 11.154 26.741 -4.145 1.00 2.33 H new ATOM 0 HD13 ILE A 74 10.884 25.089 -4.750 1.00 2.33 H new ATOM 1153 N LYS A 75 16.752 24.614 -5.311 1.00 33.31 N ATOM 1154 CA LYS A 75 17.776 24.649 -6.348 1.00 51.21 C ATOM 1155 C LYS A 75 17.225 25.251 -7.637 1.00 34.02 C ATOM 1156 O LYS A 75 17.792 26.197 -8.183 1.00 54.13 O ATOM 1157 CB LYS A 75 18.307 23.239 -6.617 1.00 41.55 C ATOM 1158 CG LYS A 75 19.469 23.204 -7.595 1.00 24.14 C ATOM 1159 CD LYS A 75 18.994 22.974 -9.019 1.00 55.42 C ATOM 1160 CE LYS A 75 19.907 23.654 -10.028 1.00 72.42 C ATOM 1161 NZ LYS A 75 19.718 25.131 -10.041 1.00 71.30 N ATOM 0 H LYS A 75 16.610 23.696 -4.890 1.00 33.31 H new ATOM 0 HA LYS A 75 18.594 25.277 -5.995 1.00 51.21 H new ATOM 0 HB2 LYS A 75 18.623 22.793 -5.674 1.00 41.55 H new ATOM 0 HB3 LYS A 75 17.497 22.622 -7.006 1.00 41.55 H new ATOM 0 HG2 LYS A 75 20.019 24.144 -7.541 1.00 24.14 H new ATOM 0 HG3 LYS A 75 20.162 22.412 -7.310 1.00 24.14 H new ATOM 0 HD2 LYS A 75 18.958 21.904 -9.223 1.00 55.42 H new ATOM 0 HD3 LYS A 75 17.979 23.355 -9.131 1.00 55.42 H new ATOM 0 HE2 LYS A 75 20.946 23.423 -9.791 1.00 72.42 H new ATOM 0 HE3 LYS A 75 19.710 23.254 -11.023 1.00 72.42 H new ATOM 0 HZ1 LYS A 75 19.305 25.420 -10.951 1.00 71.30 H new ATOM 0 HZ2 LYS A 75 19.079 25.406 -9.268 1.00 71.30 H new ATOM 0 HZ3 LYS A 75 20.638 25.600 -9.914 1.00 71.30 H new ATOM 1175 N SER A 76 16.116 24.697 -8.116 1.00 54.12 N ATOM 1176 CA SER A 76 15.489 25.178 -9.342 1.00 41.10 C ATOM 1177 C SER A 76 14.723 26.473 -9.089 1.00 2.03 C ATOM 1178 O SER A 76 13.583 26.451 -8.629 1.00 11.25 O ATOM 1179 CB SER A 76 14.545 24.116 -9.908 1.00 34.12 C ATOM 1180 OG SER A 76 13.781 24.633 -10.984 1.00 4.31 O ATOM 0 H SER A 76 15.633 23.915 -7.674 1.00 54.12 H new ATOM 0 HA SER A 76 16.276 25.378 -10.069 1.00 41.10 H new ATOM 0 HB2 SER A 76 15.122 23.256 -10.248 1.00 34.12 H new ATOM 0 HB3 SER A 76 13.878 23.762 -9.122 1.00 34.12 H new ATOM 0 HG SER A 76 13.187 23.934 -11.329 1.00 4.31 H new TER 1186 SER A 76