USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 631 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 26 GLN : amide:sc= -0.122 K(o=-0.12,f=-1) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.793 K(o=0.48,f=-3.2!) USER MOD Set 2.2: A 44 SER OG : rot 180:sc= -0.31 USER MOD Set 3.1: A 40 ASN : amide:sc= 0.159 K(o=0.21,f=-1) USER MOD Set 3.2: A 45 LYS NZ :NH3+ 179:sc= 0.0506 (180deg=-0.285) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.0491 (180deg=-0.141) USER MOD Single : A 3 SER OG : rot 180:sc=0.000495 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0178 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.185) USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= -0.167 (180deg=-0.681) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0109 (180deg=-0.127) USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= -0.0689 (180deg=-0.311) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00374 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.035) USER MOD Single : A 36 GLN : amide:sc= -0.0303 K(o=-0.03,f=-0.63) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 163:sc= -0.666 (180deg=-1.54) USER MOD Single : A 51 THR OG1 : rot 72:sc= 0.744 USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= -0.0722 (180deg=-0.288) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.856 K(o=0.86,f=-7.4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -169:sc=-0.000299 (180deg=-0.153) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0588 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.288 USER MOD Single : A 78 THR OG1 : rot 37:sc= 0.0507 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.984 12.837 0.141 1.00 10.84 N ATOM 2 CA MET A 1 -22.177 11.965 0.285 1.00 10.16 C ATOM 3 C MET A 1 -21.749 10.509 0.492 1.00 9.27 C ATOM 4 O MET A 1 -20.653 10.246 0.992 1.00 9.22 O ATOM 5 CB MET A 1 -23.056 12.109 -0.972 1.00 10.59 C ATOM 6 CG MET A 1 -23.482 13.543 -1.273 1.00 11.48 C ATOM 7 SD MET A 1 -25.153 13.646 -1.949 1.00 11.94 S ATOM 8 CE MET A 1 -26.131 13.540 -0.449 1.00 12.56 C ATOM 0 H1 MET A 1 -21.115 13.701 0.705 1.00 10.84 H new ATOM 0 H2 MET A 1 -20.141 12.329 0.477 1.00 10.84 H new ATOM 0 H3 MET A 1 -20.859 13.092 -0.859 1.00 10.84 H new ATOM 0 HA MET A 1 -22.753 12.268 1.159 1.00 10.16 H new ATOM 0 HB2 MET A 1 -22.511 11.715 -1.830 1.00 10.59 H new ATOM 0 HB3 MET A 1 -23.948 11.494 -0.851 1.00 10.59 H new ATOM 0 HG2 MET A 1 -23.427 14.133 -0.358 1.00 11.48 H new ATOM 0 HG3 MET A 1 -22.780 13.985 -1.980 1.00 11.48 H new ATOM 0 HE1 MET A 1 -27.190 13.590 -0.701 1.00 12.56 H new ATOM 0 HE2 MET A 1 -25.922 12.597 0.056 1.00 12.56 H new ATOM 0 HE3 MET A 1 -25.876 14.369 0.211 1.00 12.56 H new ATOM 20 N ARG A 2 -22.618 9.562 0.124 1.00 8.82 N ATOM 21 CA ARG A 2 -22.317 8.139 0.282 1.00 8.17 C ATOM 22 C ARG A 2 -23.226 7.275 -0.599 1.00 7.58 C ATOM 23 O ARG A 2 -24.451 7.303 -0.455 1.00 7.72 O ATOM 24 CB ARG A 2 -22.458 7.713 1.759 1.00 8.58 C ATOM 25 CG ARG A 2 -21.578 6.525 2.143 1.00 9.29 C ATOM 26 CD ARG A 2 -22.397 5.270 2.415 1.00 9.46 C ATOM 27 NE ARG A 2 -23.374 5.464 3.497 1.00 9.75 N ATOM 28 CZ ARG A 2 -23.106 5.300 4.798 1.00 10.18 C ATOM 29 NH1 ARG A 2 -21.892 4.937 5.201 1.00 10.36 N ATOM 30 NH2 ARG A 2 -24.067 5.491 5.698 1.00 10.67 N ATOM 0 H ARG A 2 -23.532 9.756 -0.284 1.00 8.82 H new ATOM 0 HA ARG A 2 -21.286 7.985 -0.035 1.00 8.17 H new ATOM 0 HB2 ARG A 2 -22.208 8.560 2.398 1.00 8.58 H new ATOM 0 HB3 ARG A 2 -23.500 7.461 1.957 1.00 8.58 H new ATOM 0 HG2 ARG A 2 -20.867 6.327 1.341 1.00 9.29 H new ATOM 0 HG3 ARG A 2 -20.996 6.777 3.030 1.00 9.29 H new ATOM 0 HD2 ARG A 2 -22.920 4.976 1.505 1.00 9.46 H new ATOM 0 HD3 ARG A 2 -21.727 4.451 2.676 1.00 9.46 H new ATOM 0 HE ARG A 2 -24.320 5.743 3.238 1.00 9.75 H new ATOM 0 HH11 ARG A 2 -21.153 4.780 4.516 1.00 10.36 H new ATOM 0 HH12 ARG A 2 -21.700 4.815 6.195 1.00 10.36 H new ATOM 0 HH21 ARG A 2 -25.003 5.761 5.395 1.00 10.67 H new ATOM 0 HH22 ARG A 2 -23.868 5.367 6.691 1.00 10.67 H new ATOM 44 N SER A 3 -22.609 6.489 -1.481 1.00 7.20 N ATOM 45 CA SER A 3 -23.319 5.549 -2.358 1.00 6.89 C ATOM 46 C SER A 3 -22.893 4.120 -2.016 1.00 5.94 C ATOM 47 O SER A 3 -23.705 3.302 -1.575 1.00 6.02 O ATOM 48 CB SER A 3 -23.031 5.861 -3.839 1.00 7.63 C ATOM 49 OG SER A 3 -21.676 6.246 -4.042 1.00 8.43 O ATOM 0 H SER A 3 -21.597 6.484 -1.610 1.00 7.20 H new ATOM 0 HA SER A 3 -24.392 5.653 -2.199 1.00 6.89 H new ATOM 0 HB2 SER A 3 -23.255 4.984 -4.446 1.00 7.63 H new ATOM 0 HB3 SER A 3 -23.691 6.660 -4.178 1.00 7.63 H new ATOM 0 HG SER A 3 -21.528 6.435 -4.992 1.00 8.43 H new ATOM 55 N SER A 4 -21.600 3.850 -2.186 1.00 5.38 N ATOM 56 CA SER A 4 -21.000 2.555 -1.856 1.00 4.74 C ATOM 57 C SER A 4 -19.549 2.785 -1.429 1.00 4.08 C ATOM 58 O SER A 4 -18.640 2.781 -2.263 1.00 4.43 O ATOM 59 CB SER A 4 -21.058 1.586 -3.054 1.00 5.40 C ATOM 60 OG SER A 4 -22.296 1.672 -3.750 1.00 6.32 O ATOM 0 H SER A 4 -20.934 4.526 -2.559 1.00 5.38 H new ATOM 0 HA SER A 4 -21.564 2.098 -1.043 1.00 4.74 H new ATOM 0 HB2 SER A 4 -20.240 1.808 -3.740 1.00 5.40 H new ATOM 0 HB3 SER A 4 -20.910 0.565 -2.702 1.00 5.40 H new ATOM 0 HG SER A 4 -22.293 1.044 -4.502 1.00 6.32 H new ATOM 66 N ALA A 5 -19.356 3.093 -0.148 1.00 3.63 N ATOM 67 CA ALA A 5 -18.028 3.402 0.398 1.00 3.45 C ATOM 68 C ALA A 5 -17.622 2.408 1.490 1.00 2.57 C ATOM 69 O ALA A 5 -17.292 2.799 2.613 1.00 2.77 O ATOM 70 CB ALA A 5 -18.008 4.834 0.932 1.00 4.25 C ATOM 0 H ALA A 5 -20.108 3.136 0.540 1.00 3.63 H new ATOM 0 HA ALA A 5 -17.299 3.312 -0.407 1.00 3.45 H new ATOM 0 HB1 ALA A 5 -17.021 5.058 1.336 1.00 4.25 H new ATOM 0 HB2 ALA A 5 -18.235 5.527 0.122 1.00 4.25 H new ATOM 0 HB3 ALA A 5 -18.754 4.939 1.719 1.00 4.25 H new ATOM 76 N LYS A 6 -17.627 1.122 1.142 1.00 2.17 N ATOM 77 CA LYS A 6 -17.218 0.058 2.064 1.00 1.92 C ATOM 78 C LYS A 6 -15.792 -0.422 1.772 1.00 1.64 C ATOM 79 O LYS A 6 -15.226 -1.217 2.527 1.00 2.32 O ATOM 80 CB LYS A 6 -18.205 -1.114 1.984 1.00 2.86 C ATOM 81 CG LYS A 6 -19.312 -1.039 3.024 1.00 3.45 C ATOM 82 CD LYS A 6 -18.869 -1.635 4.356 1.00 4.36 C ATOM 83 CE LYS A 6 -19.397 -0.833 5.540 1.00 5.20 C ATOM 84 NZ LYS A 6 -19.079 -1.490 6.836 1.00 5.61 N ATOM 0 H LYS A 6 -17.912 0.788 0.221 1.00 2.17 H new ATOM 0 HA LYS A 6 -17.227 0.465 3.075 1.00 1.92 H new ATOM 0 HB2 LYS A 6 -18.651 -1.137 0.990 1.00 2.86 H new ATOM 0 HB3 LYS A 6 -17.659 -2.049 2.111 1.00 2.86 H new ATOM 0 HG2 LYS A 6 -19.606 0.000 3.169 1.00 3.45 H new ATOM 0 HG3 LYS A 6 -20.191 -1.571 2.660 1.00 3.45 H new ATOM 0 HD2 LYS A 6 -19.221 -2.664 4.428 1.00 4.36 H new ATOM 0 HD3 LYS A 6 -17.780 -1.667 4.395 1.00 4.36 H new ATOM 0 HE2 LYS A 6 -18.965 0.167 5.524 1.00 5.20 H new ATOM 0 HE3 LYS A 6 -20.477 -0.715 5.447 1.00 5.20 H new ATOM 0 HZ1 LYS A 6 -19.454 -0.915 7.618 1.00 5.61 H new ATOM 0 HZ2 LYS A 6 -19.513 -2.435 6.862 1.00 5.61 H new ATOM 0 HZ3 LYS A 6 -18.048 -1.580 6.936 1.00 5.61 H new ATOM 98 N GLN A 7 -15.221 0.065 0.674 1.00 1.12 N ATOM 99 CA GLN A 7 -13.860 -0.295 0.271 1.00 0.87 C ATOM 100 C GLN A 7 -12.871 0.861 0.479 1.00 0.74 C ATOM 101 O GLN A 7 -11.668 0.691 0.266 1.00 0.75 O ATOM 102 CB GLN A 7 -13.832 -0.767 -1.187 1.00 1.05 C ATOM 103 CG GLN A 7 -12.680 -1.719 -1.470 1.00 1.31 C ATOM 104 CD GLN A 7 -13.041 -3.183 -1.252 1.00 1.15 C ATOM 105 OE1 GLN A 7 -13.655 -3.817 -2.113 1.00 1.76 O ATOM 106 NE2 GLN A 7 -12.683 -3.724 -0.091 1.00 1.09 N ATOM 0 H GLN A 7 -15.683 0.717 0.040 1.00 1.12 H new ATOM 0 HA GLN A 7 -13.543 -1.116 0.914 1.00 0.87 H new ATOM 0 HB2 GLN A 7 -14.774 -1.262 -1.423 1.00 1.05 H new ATOM 0 HB3 GLN A 7 -13.753 0.099 -1.844 1.00 1.05 H new ATOM 0 HG2 GLN A 7 -12.350 -1.583 -2.500 1.00 1.31 H new ATOM 0 HG3 GLN A 7 -11.838 -1.460 -0.828 1.00 1.31 H new ATOM 0 HE21 GLN A 7 -12.176 -3.167 0.596 1.00 1.09 H new ATOM 0 HE22 GLN A 7 -12.916 -4.696 0.112 1.00 1.09 H new ATOM 115 N GLU A 8 -13.356 2.011 0.970 1.00 0.74 N ATOM 116 CA GLU A 8 -12.474 3.146 1.293 1.00 0.76 C ATOM 117 C GLU A 8 -11.576 2.816 2.506 1.00 0.68 C ATOM 118 O GLU A 8 -10.714 3.612 2.894 1.00 0.98 O ATOM 119 CB GLU A 8 -13.300 4.410 1.586 1.00 0.92 C ATOM 120 CG GLU A 8 -14.233 4.814 0.446 1.00 1.50 C ATOM 121 CD GLU A 8 -14.692 6.256 0.552 1.00 1.93 C ATOM 122 OE1 GLU A 8 -15.088 6.675 1.656 1.00 2.24 O ATOM 123 OE2 GLU A 8 -14.615 6.981 -0.457 1.00 2.61 O ATOM 0 H GLU A 8 -14.345 2.181 1.151 1.00 0.74 H new ATOM 0 HA GLU A 8 -11.839 3.332 0.427 1.00 0.76 H new ATOM 0 HB2 GLU A 8 -13.892 4.246 2.487 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -12.621 5.236 1.797 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -13.722 4.668 -0.506 1.00 1.50 H new ATOM 0 HG3 GLU A 8 -15.104 4.158 0.444 1.00 1.50 H new ATOM 130 N GLU A 9 -11.809 1.632 3.094 1.00 0.41 N ATOM 131 CA GLU A 9 -11.039 1.132 4.234 1.00 0.38 C ATOM 132 C GLU A 9 -9.737 0.507 3.745 1.00 0.34 C ATOM 133 O GLU A 9 -8.667 0.735 4.307 1.00 0.43 O ATOM 134 CB GLU A 9 -11.862 0.085 5.007 1.00 0.42 C ATOM 135 CG GLU A 9 -13.212 0.601 5.505 1.00 0.62 C ATOM 136 CD GLU A 9 -14.168 -0.510 5.897 1.00 1.46 C ATOM 137 OE1 GLU A 9 -13.792 -1.694 5.774 1.00 2.19 O ATOM 138 OE2 GLU A 9 -15.282 -0.199 6.357 1.00 2.23 O ATOM 0 H GLU A 9 -12.543 0.994 2.787 1.00 0.41 H new ATOM 0 HA GLU A 9 -10.809 1.965 4.899 1.00 0.38 H new ATOM 0 HB2 GLU A 9 -12.029 -0.778 4.363 1.00 0.42 H new ATOM 0 HB3 GLU A 9 -11.280 -0.262 5.861 1.00 0.42 H new ATOM 0 HG2 GLU A 9 -13.050 1.253 6.364 1.00 0.62 H new ATOM 0 HG3 GLU A 9 -13.671 1.209 4.726 1.00 0.62 H new ATOM 145 N LEU A 10 -9.847 -0.264 2.662 1.00 0.28 N ATOM 146 CA LEU A 10 -8.692 -0.891 2.022 1.00 0.29 C ATOM 147 C LEU A 10 -7.811 0.165 1.351 1.00 0.26 C ATOM 148 O LEU A 10 -6.609 -0.028 1.214 1.00 0.30 O ATOM 149 CB LEU A 10 -9.174 -1.935 1.002 1.00 0.35 C ATOM 150 CG LEU A 10 -8.092 -2.612 0.144 1.00 0.35 C ATOM 151 CD1 LEU A 10 -7.040 -3.283 1.021 1.00 0.60 C ATOM 152 CD2 LEU A 10 -8.723 -3.623 -0.808 1.00 1.01 C ATOM 0 H LEU A 10 -10.736 -0.470 2.206 1.00 0.28 H new ATOM 0 HA LEU A 10 -8.090 -1.393 2.780 1.00 0.29 H new ATOM 0 HB2 LEU A 10 -9.717 -2.712 1.541 1.00 0.35 H new ATOM 0 HB3 LEU A 10 -9.887 -1.453 0.333 1.00 0.35 H new ATOM 0 HG LEU A 10 -7.595 -1.842 -0.447 1.00 0.35 H new ATOM 0 HD11 LEU A 10 -6.287 -3.754 0.390 1.00 0.60 H new ATOM 0 HD12 LEU A 10 -6.565 -2.535 1.656 1.00 0.60 H new ATOM 0 HD13 LEU A 10 -7.515 -4.040 1.645 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -7.944 -4.093 -1.408 1.00 1.01 H new ATOM 0 HD22 LEU A 10 -9.248 -4.386 -0.233 1.00 1.01 H new ATOM 0 HD23 LEU A 10 -9.429 -3.114 -1.464 1.00 1.01 H new ATOM 164 N VAL A 11 -8.415 1.306 0.987 1.00 0.26 N ATOM 165 CA VAL A 11 -7.677 2.414 0.372 1.00 0.29 C ATOM 166 C VAL A 11 -6.864 3.172 1.418 1.00 0.29 C ATOM 167 O VAL A 11 -5.642 3.212 1.329 1.00 0.37 O ATOM 168 CB VAL A 11 -8.626 3.388 -0.381 1.00 0.36 C ATOM 169 CG1 VAL A 11 -7.908 4.672 -0.787 1.00 0.43 C ATOM 170 CG2 VAL A 11 -9.223 2.704 -1.604 1.00 0.49 C ATOM 0 H VAL A 11 -9.412 1.483 1.109 1.00 0.26 H new ATOM 0 HA VAL A 11 -6.993 1.981 -0.358 1.00 0.29 H new ATOM 0 HB VAL A 11 -9.431 3.662 0.302 1.00 0.36 H new ATOM 0 HG11 VAL A 11 -8.603 5.328 -1.311 1.00 0.43 H new ATOM 0 HG12 VAL A 11 -7.534 5.177 0.104 1.00 0.43 H new ATOM 0 HG13 VAL A 11 -7.073 4.430 -1.444 1.00 0.43 H new ATOM 0 HG21 VAL A 11 -9.886 3.398 -2.122 1.00 0.49 H new ATOM 0 HG22 VAL A 11 -8.422 2.397 -2.276 1.00 0.49 H new ATOM 0 HG23 VAL A 11 -9.789 1.827 -1.290 1.00 0.49 H new ATOM 180 N LYS A 12 -7.536 3.737 2.431 1.00 0.26 N ATOM 181 CA LYS A 12 -6.847 4.474 3.506 1.00 0.30 C ATOM 182 C LYS A 12 -5.736 3.630 4.137 1.00 0.27 C ATOM 183 O LYS A 12 -4.606 4.095 4.315 1.00 0.32 O ATOM 184 CB LYS A 12 -7.860 4.939 4.555 1.00 0.38 C ATOM 185 CG LYS A 12 -8.717 3.842 5.169 1.00 1.15 C ATOM 186 CD LYS A 12 -8.065 3.267 6.412 1.00 2.01 C ATOM 187 CE LYS A 12 -8.567 3.936 7.691 1.00 2.92 C ATOM 188 NZ LYS A 12 -7.793 5.164 8.024 1.00 3.46 N ATOM 0 H LYS A 12 -8.550 3.700 2.531 1.00 0.26 H new ATOM 0 HA LYS A 12 -6.372 5.354 3.072 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -7.321 5.446 5.355 1.00 0.38 H new ATOM 0 HB3 LYS A 12 -8.519 5.677 4.097 1.00 0.38 H new ATOM 0 HG2 LYS A 12 -9.699 4.243 5.422 1.00 1.15 H new ATOM 0 HG3 LYS A 12 -8.875 3.049 4.438 1.00 1.15 H new ATOM 0 HD2 LYS A 12 -8.264 2.196 6.462 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -6.984 3.387 6.342 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -9.620 4.192 7.576 1.00 2.92 H new ATOM 0 HE3 LYS A 12 -8.499 3.230 8.519 1.00 2.92 H new ATOM 0 HZ1 LYS A 12 -8.038 5.479 8.984 1.00 3.46 H new ATOM 0 HZ2 LYS A 12 -6.775 4.956 7.977 1.00 3.46 H new ATOM 0 HZ3 LYS A 12 -8.025 5.916 7.343 1.00 3.46 H new ATOM 202 N ALA A 13 -6.047 2.362 4.361 1.00 0.25 N ATOM 203 CA ALA A 13 -5.089 1.391 4.894 1.00 0.26 C ATOM 204 C ALA A 13 -3.888 1.211 3.949 1.00 0.22 C ATOM 205 O ALA A 13 -2.745 1.289 4.388 1.00 0.22 O ATOM 206 CB ALA A 13 -5.769 0.049 5.146 1.00 0.30 C ATOM 0 H ALA A 13 -6.972 1.971 4.180 1.00 0.25 H new ATOM 0 HA ALA A 13 -4.717 1.780 5.842 1.00 0.26 H new ATOM 0 HB1 ALA A 13 -5.041 -0.659 5.542 1.00 0.30 H new ATOM 0 HB2 ALA A 13 -6.577 0.180 5.866 1.00 0.30 H new ATOM 0 HB3 ALA A 13 -6.176 -0.334 4.210 1.00 0.30 H new ATOM 212 N PHE A 14 -4.166 1.019 2.646 1.00 0.21 N ATOM 213 CA PHE A 14 -3.115 0.856 1.617 1.00 0.19 C ATOM 214 C PHE A 14 -2.102 2.010 1.661 1.00 0.17 C ATOM 215 O PHE A 14 -0.905 1.792 1.852 1.00 0.21 O ATOM 216 CB PHE A 14 -3.743 0.755 0.207 1.00 0.19 C ATOM 217 CG PHE A 14 -2.804 0.228 -0.845 1.00 0.17 C ATOM 218 CD1 PHE A 14 -2.654 -1.138 -1.034 1.00 1.22 C ATOM 219 CD2 PHE A 14 -2.094 1.095 -1.656 1.00 1.16 C ATOM 220 CE1 PHE A 14 -1.807 -1.625 -2.002 1.00 1.21 C ATOM 221 CE2 PHE A 14 -1.243 0.607 -2.628 1.00 1.17 C ATOM 222 CZ PHE A 14 -1.096 -0.753 -2.795 1.00 0.16 C ATOM 0 H PHE A 14 -5.116 0.972 2.276 1.00 0.21 H new ATOM 0 HA PHE A 14 -2.584 -0.070 1.835 1.00 0.19 H new ATOM 0 HB2 PHE A 14 -4.618 0.107 0.256 1.00 0.19 H new ATOM 0 HB3 PHE A 14 -4.094 1.742 -0.095 1.00 0.19 H new ATOM 0 HD1 PHE A 14 -3.209 -1.827 -0.414 1.00 1.22 H new ATOM 0 HD2 PHE A 14 -2.206 2.162 -1.528 1.00 1.16 H new ATOM 0 HE1 PHE A 14 -1.700 -2.691 -2.140 1.00 1.21 H new ATOM 0 HE2 PHE A 14 -0.693 1.291 -3.257 1.00 1.17 H new ATOM 0 HZ PHE A 14 -0.423 -1.135 -3.548 1.00 0.16 H new ATOM 232 N LYS A 15 -2.615 3.243 1.558 1.00 0.17 N ATOM 233 CA LYS A 15 -1.792 4.455 1.604 1.00 0.17 C ATOM 234 C LYS A 15 -0.940 4.523 2.881 1.00 0.14 C ATOM 235 O LYS A 15 0.252 4.824 2.825 1.00 0.14 O ATOM 236 CB LYS A 15 -2.698 5.706 1.524 1.00 0.25 C ATOM 237 CG LYS A 15 -3.864 5.595 0.537 1.00 0.64 C ATOM 238 CD LYS A 15 -3.477 6.015 -0.870 1.00 0.58 C ATOM 239 CE LYS A 15 -3.984 7.418 -1.228 1.00 0.82 C ATOM 240 NZ LYS A 15 -3.857 8.388 -0.098 1.00 0.93 N ATOM 0 H LYS A 15 -3.611 3.427 1.441 1.00 0.17 H new ATOM 0 HA LYS A 15 -1.115 4.425 0.750 1.00 0.17 H new ATOM 0 HB2 LYS A 15 -3.099 5.910 2.517 1.00 0.25 H new ATOM 0 HB3 LYS A 15 -2.085 6.563 1.245 1.00 0.25 H new ATOM 0 HG2 LYS A 15 -4.224 4.566 0.519 1.00 0.64 H new ATOM 0 HG3 LYS A 15 -4.690 6.216 0.884 1.00 0.64 H new ATOM 0 HD2 LYS A 15 -2.392 5.989 -0.967 1.00 0.58 H new ATOM 0 HD3 LYS A 15 -3.878 5.295 -1.583 1.00 0.58 H new ATOM 0 HE2 LYS A 15 -3.426 7.793 -2.086 1.00 0.82 H new ATOM 0 HE3 LYS A 15 -5.029 7.355 -1.530 1.00 0.82 H new ATOM 0 HZ1 LYS A 15 -3.935 9.359 -0.463 1.00 0.93 H new ATOM 0 HZ2 LYS A 15 -4.614 8.216 0.594 1.00 0.93 H new ATOM 0 HZ3 LYS A 15 -2.933 8.265 0.363 1.00 0.93 H new ATOM 254 N ALA A 16 -1.562 4.213 4.021 1.00 0.15 N ATOM 255 CA ALA A 16 -0.884 4.226 5.327 1.00 0.16 C ATOM 256 C ALA A 16 0.256 3.194 5.397 1.00 0.15 C ATOM 257 O ALA A 16 1.374 3.531 5.798 1.00 0.18 O ATOM 258 CB ALA A 16 -1.890 3.981 6.448 1.00 0.20 C ATOM 0 H ALA A 16 -2.545 3.947 4.069 1.00 0.15 H new ATOM 0 HA ALA A 16 -0.438 5.213 5.453 1.00 0.16 H new ATOM 0 HB1 ALA A 16 -1.375 3.993 7.408 1.00 0.20 H new ATOM 0 HB2 ALA A 16 -2.649 4.763 6.433 1.00 0.20 H new ATOM 0 HB3 ALA A 16 -2.366 3.011 6.304 1.00 0.20 H new ATOM 264 N LEU A 17 -0.031 1.944 4.997 1.00 0.15 N ATOM 265 CA LEU A 17 0.968 0.858 5.000 1.00 0.17 C ATOM 266 C LEU A 17 2.240 1.254 4.245 1.00 0.15 C ATOM 267 O LEU A 17 3.354 1.021 4.719 1.00 0.19 O ATOM 268 CB LEU A 17 0.384 -0.413 4.370 1.00 0.21 C ATOM 269 CG LEU A 17 -0.712 -1.114 5.180 1.00 0.25 C ATOM 270 CD1 LEU A 17 -0.879 -2.548 4.707 1.00 0.27 C ATOM 271 CD2 LEU A 17 -0.407 -1.090 6.675 1.00 0.33 C ATOM 0 H LEU A 17 -0.952 1.658 4.665 1.00 0.15 H new ATOM 0 HA LEU A 17 1.229 0.667 6.041 1.00 0.17 H new ATOM 0 HB2 LEU A 17 -0.021 -0.158 3.391 1.00 0.21 H new ATOM 0 HB3 LEU A 17 1.196 -1.121 4.205 1.00 0.21 H new ATOM 0 HG LEU A 17 -1.643 -0.570 5.018 1.00 0.25 H new ATOM 0 HD11 LEU A 17 -1.660 -3.035 5.290 1.00 0.27 H new ATOM 0 HD12 LEU A 17 -1.156 -2.553 3.653 1.00 0.27 H new ATOM 0 HD13 LEU A 17 0.060 -3.086 4.838 1.00 0.27 H new ATOM 0 HD21 LEU A 17 -1.206 -1.596 7.217 1.00 0.33 H new ATOM 0 HD22 LEU A 17 0.538 -1.600 6.862 1.00 0.33 H new ATOM 0 HD23 LEU A 17 -0.335 -0.057 7.015 1.00 0.33 H new ATOM 283 N LEU A 18 2.063 1.862 3.075 1.00 0.12 N ATOM 284 CA LEU A 18 3.201 2.319 2.265 1.00 0.12 C ATOM 285 C LEU A 18 3.931 3.484 2.940 1.00 0.13 C ATOM 286 O LEU A 18 5.150 3.455 3.100 1.00 0.15 O ATOM 287 CB LEU A 18 2.741 2.770 0.877 1.00 0.12 C ATOM 288 CG LEU A 18 1.936 1.747 0.072 1.00 0.13 C ATOM 289 CD1 LEU A 18 1.170 2.462 -1.028 1.00 0.22 C ATOM 290 CD2 LEU A 18 2.843 0.672 -0.514 1.00 0.15 C ATOM 0 H LEU A 18 1.149 2.051 2.664 1.00 0.12 H new ATOM 0 HA LEU A 18 3.881 1.473 2.169 1.00 0.12 H new ATOM 0 HB2 LEU A 18 2.137 3.670 0.991 1.00 0.12 H new ATOM 0 HB3 LEU A 18 3.621 3.048 0.297 1.00 0.12 H new ATOM 0 HG LEU A 18 1.230 1.251 0.738 1.00 0.13 H new ATOM 0 HD11 LEU A 18 0.596 1.735 -1.603 1.00 0.22 H new ATOM 0 HD12 LEU A 18 0.492 3.191 -0.584 1.00 0.22 H new ATOM 0 HD13 LEU A 18 1.872 2.973 -1.687 1.00 0.22 H new ATOM 0 HD21 LEU A 18 2.244 -0.041 -1.080 1.00 0.15 H new ATOM 0 HD22 LEU A 18 3.576 1.135 -1.174 1.00 0.15 H new ATOM 0 HD23 LEU A 18 3.359 0.152 0.293 1.00 0.15 H new ATOM 302 N LYS A 19 3.167 4.507 3.331 1.00 0.17 N ATOM 303 CA LYS A 19 3.722 5.721 3.944 1.00 0.21 C ATOM 304 C LYS A 19 4.491 5.451 5.254 1.00 0.24 C ATOM 305 O LYS A 19 5.298 6.285 5.674 1.00 0.32 O ATOM 306 CB LYS A 19 2.601 6.741 4.169 1.00 0.23 C ATOM 307 CG LYS A 19 2.144 7.415 2.879 1.00 0.25 C ATOM 308 CD LYS A 19 1.135 8.525 3.147 1.00 0.38 C ATOM 309 CE LYS A 19 1.530 9.833 2.466 1.00 0.80 C ATOM 310 NZ LYS A 19 2.791 10.403 3.018 1.00 1.39 N ATOM 0 H LYS A 19 2.152 4.520 3.233 1.00 0.17 H new ATOM 0 HA LYS A 19 4.457 6.125 3.248 1.00 0.21 H new ATOM 0 HB2 LYS A 19 1.750 6.242 4.633 1.00 0.23 H new ATOM 0 HB3 LYS A 19 2.945 7.503 4.869 1.00 0.23 H new ATOM 0 HG2 LYS A 19 3.008 7.827 2.359 1.00 0.25 H new ATOM 0 HG3 LYS A 19 1.699 6.671 2.218 1.00 0.25 H new ATOM 0 HD2 LYS A 19 0.152 8.215 2.793 1.00 0.38 H new ATOM 0 HD3 LYS A 19 1.051 8.687 4.222 1.00 0.38 H new ATOM 0 HE2 LYS A 19 1.650 9.661 1.396 1.00 0.80 H new ATOM 0 HE3 LYS A 19 0.725 10.558 2.584 1.00 0.80 H new ATOM 0 HZ1 LYS A 19 2.860 11.408 2.759 1.00 1.39 H new ATOM 0 HZ2 LYS A 19 2.789 10.311 4.054 1.00 1.39 H new ATOM 0 HZ3 LYS A 19 3.605 9.888 2.626 1.00 1.39 H new ATOM 324 N GLU A 20 4.265 4.287 5.875 1.00 0.26 N ATOM 325 CA GLU A 20 4.985 3.898 7.100 1.00 0.30 C ATOM 326 C GLU A 20 6.430 3.444 6.799 1.00 0.27 C ATOM 327 O GLU A 20 7.251 3.342 7.715 1.00 0.30 O ATOM 328 CB GLU A 20 4.230 2.769 7.827 1.00 0.39 C ATOM 329 CG GLU A 20 3.070 3.257 8.692 1.00 0.48 C ATOM 330 CD GLU A 20 2.581 2.207 9.670 1.00 1.05 C ATOM 331 OE1 GLU A 20 3.304 1.916 10.640 1.00 1.76 O ATOM 332 OE2 GLU A 20 1.475 1.670 9.465 1.00 1.75 O ATOM 0 H GLU A 20 3.589 3.595 5.551 1.00 0.26 H new ATOM 0 HA GLU A 20 5.035 4.779 7.740 1.00 0.30 H new ATOM 0 HB2 GLU A 20 3.848 2.066 7.087 1.00 0.39 H new ATOM 0 HB3 GLU A 20 4.933 2.221 8.455 1.00 0.39 H new ATOM 0 HG2 GLU A 20 3.383 4.143 9.244 1.00 0.48 H new ATOM 0 HG3 GLU A 20 2.244 3.558 8.047 1.00 0.48 H new ATOM 339 N GLU A 21 6.720 3.137 5.520 1.00 0.24 N ATOM 340 CA GLU A 21 8.055 2.680 5.081 1.00 0.26 C ATOM 341 C GLU A 21 8.449 1.363 5.771 1.00 0.28 C ATOM 342 O GLU A 21 9.314 1.344 6.652 1.00 0.42 O ATOM 343 CB GLU A 21 9.120 3.766 5.335 1.00 0.28 C ATOM 344 CG GLU A 21 8.722 5.147 4.815 1.00 0.33 C ATOM 345 CD GLU A 21 9.844 6.161 4.897 1.00 0.44 C ATOM 346 OE1 GLU A 21 10.619 6.112 5.872 1.00 1.17 O ATOM 347 OE2 GLU A 21 9.931 7.025 4.004 1.00 1.19 O ATOM 0 H GLU A 21 6.039 3.198 4.763 1.00 0.24 H new ATOM 0 HA GLU A 21 8.004 2.495 4.008 1.00 0.26 H new ATOM 0 HB2 GLU A 21 9.312 3.832 6.406 1.00 0.28 H new ATOM 0 HB3 GLU A 21 10.054 3.464 4.862 1.00 0.28 H new ATOM 0 HG2 GLU A 21 8.396 5.058 3.779 1.00 0.33 H new ATOM 0 HG3 GLU A 21 7.869 5.512 5.387 1.00 0.33 H new ATOM 354 N LYS A 22 7.803 0.268 5.366 1.00 0.24 N ATOM 355 CA LYS A 22 8.023 -1.047 5.987 1.00 0.27 C ATOM 356 C LYS A 22 8.088 -2.174 4.950 1.00 0.33 C ATOM 357 O LYS A 22 8.964 -3.037 5.012 1.00 0.74 O ATOM 358 CB LYS A 22 6.886 -1.318 6.992 1.00 0.37 C ATOM 359 CG LYS A 22 6.864 -2.733 7.564 1.00 0.95 C ATOM 360 CD LYS A 22 6.374 -2.753 9.006 1.00 1.24 C ATOM 361 CE LYS A 22 6.285 -4.171 9.555 1.00 1.69 C ATOM 362 NZ LYS A 22 7.529 -4.946 9.315 1.00 2.44 N ATOM 0 H LYS A 22 7.120 0.262 4.608 1.00 0.24 H new ATOM 0 HA LYS A 22 8.986 -1.028 6.497 1.00 0.27 H new ATOM 0 HB2 LYS A 22 6.971 -0.609 7.816 1.00 0.37 H new ATOM 0 HB3 LYS A 22 5.932 -1.124 6.502 1.00 0.37 H new ATOM 0 HG2 LYS A 22 6.218 -3.362 6.952 1.00 0.95 H new ATOM 0 HG3 LYS A 22 7.865 -3.161 7.514 1.00 0.95 H new ATOM 0 HD2 LYS A 22 7.049 -2.165 9.627 1.00 1.24 H new ATOM 0 HD3 LYS A 22 5.394 -2.279 9.063 1.00 1.24 H new ATOM 0 HE2 LYS A 22 6.084 -4.132 10.626 1.00 1.69 H new ATOM 0 HE3 LYS A 22 5.443 -4.686 9.092 1.00 1.69 H new ATOM 0 HZ1 LYS A 22 7.513 -5.814 9.887 1.00 2.44 H new ATOM 0 HZ2 LYS A 22 7.593 -5.196 8.308 1.00 2.44 H new ATOM 0 HZ3 LYS A 22 8.353 -4.371 9.582 1.00 2.44 H new ATOM 376 N PHE A 23 7.122 -2.193 4.037 1.00 0.25 N ATOM 377 CA PHE A 23 7.001 -3.256 3.031 1.00 0.25 C ATOM 378 C PHE A 23 7.877 -3.000 1.810 1.00 0.23 C ATOM 379 O PHE A 23 7.863 -1.907 1.257 1.00 0.30 O ATOM 380 CB PHE A 23 5.537 -3.376 2.609 1.00 0.36 C ATOM 381 CG PHE A 23 4.621 -3.485 3.797 1.00 0.34 C ATOM 382 CD1 PHE A 23 4.555 -4.667 4.513 1.00 1.22 C ATOM 383 CD2 PHE A 23 3.934 -2.380 4.274 1.00 1.25 C ATOM 384 CE1 PHE A 23 3.764 -4.770 5.637 1.00 1.21 C ATOM 385 CE2 PHE A 23 3.140 -2.478 5.400 1.00 1.27 C ATOM 386 CZ PHE A 23 3.054 -3.674 6.082 1.00 0.35 C ATOM 0 H PHE A 23 6.400 -1.476 3.969 1.00 0.25 H new ATOM 0 HA PHE A 23 7.346 -4.187 3.480 1.00 0.25 H new ATOM 0 HB2 PHE A 23 5.258 -2.507 2.013 1.00 0.36 H new ATOM 0 HB3 PHE A 23 5.413 -4.252 1.972 1.00 0.36 H new ATOM 0 HD1 PHE A 23 5.131 -5.520 4.187 1.00 1.22 H new ATOM 0 HD2 PHE A 23 4.020 -1.434 3.761 1.00 1.25 H new ATOM 0 HE1 PHE A 23 3.700 -5.708 6.169 1.00 1.21 H new ATOM 0 HE2 PHE A 23 2.586 -1.618 5.747 1.00 1.27 H new ATOM 0 HZ PHE A 23 2.433 -3.752 6.962 1.00 0.35 H new ATOM 396 N SER A 24 8.603 -4.032 1.373 1.00 0.22 N ATOM 397 CA SER A 24 9.504 -3.933 0.212 1.00 0.27 C ATOM 398 C SER A 24 8.916 -4.586 -1.043 1.00 0.26 C ATOM 399 O SER A 24 9.312 -4.249 -2.162 1.00 0.44 O ATOM 400 CB SER A 24 10.872 -4.558 0.538 1.00 0.37 C ATOM 401 OG SER A 24 10.745 -5.744 1.316 1.00 1.04 O ATOM 0 H SER A 24 8.587 -4.955 1.807 1.00 0.22 H new ATOM 0 HA SER A 24 9.630 -2.872 -0.001 1.00 0.27 H new ATOM 0 HB2 SER A 24 11.396 -4.787 -0.390 1.00 0.37 H new ATOM 0 HB3 SER A 24 11.482 -3.834 1.078 1.00 0.37 H new ATOM 0 HG SER A 24 11.635 -6.111 1.501 1.00 1.04 H new ATOM 407 N SER A 25 7.997 -5.529 -0.856 1.00 0.21 N ATOM 408 CA SER A 25 7.369 -6.236 -1.974 1.00 0.22 C ATOM 409 C SER A 25 5.845 -6.161 -1.880 1.00 0.20 C ATOM 410 O SER A 25 5.283 -5.917 -0.807 1.00 0.24 O ATOM 411 CB SER A 25 7.838 -7.705 -2.013 1.00 0.31 C ATOM 412 OG SER A 25 8.013 -8.237 -0.706 1.00 0.43 O ATOM 0 H SER A 25 7.668 -5.824 0.063 1.00 0.21 H new ATOM 0 HA SER A 25 7.675 -5.749 -2.900 1.00 0.22 H new ATOM 0 HB2 SER A 25 7.108 -8.306 -2.555 1.00 0.31 H new ATOM 0 HB3 SER A 25 8.777 -7.773 -2.562 1.00 0.31 H new ATOM 0 HG SER A 25 8.309 -9.169 -0.769 1.00 0.43 H new ATOM 418 N GLN A 26 5.186 -6.369 -3.022 1.00 0.22 N ATOM 419 CA GLN A 26 3.720 -6.380 -3.107 1.00 0.23 C ATOM 420 C GLN A 26 3.141 -7.458 -2.177 1.00 0.27 C ATOM 421 O GLN A 26 2.366 -7.163 -1.272 1.00 0.44 O ATOM 422 CB GLN A 26 3.278 -6.645 -4.554 1.00 0.33 C ATOM 423 CG GLN A 26 4.073 -5.886 -5.628 1.00 0.48 C ATOM 424 CD GLN A 26 4.285 -6.688 -6.908 1.00 0.76 C ATOM 425 OE1 GLN A 26 4.450 -7.909 -6.875 1.00 1.53 O ATOM 426 NE2 GLN A 26 4.296 -6.003 -8.042 1.00 0.81 N ATOM 0 H GLN A 26 5.651 -6.535 -3.914 1.00 0.22 H new ATOM 0 HA GLN A 26 3.345 -5.406 -2.793 1.00 0.23 H new ATOM 0 HB2 GLN A 26 3.358 -7.714 -4.752 1.00 0.33 H new ATOM 0 HB3 GLN A 26 2.225 -6.382 -4.650 1.00 0.33 H new ATOM 0 HG2 GLN A 26 3.550 -4.961 -5.871 1.00 0.48 H new ATOM 0 HG3 GLN A 26 5.044 -5.605 -5.220 1.00 0.48 H new ATOM 0 HE21 GLN A 26 4.156 -4.993 -8.029 1.00 0.81 H new ATOM 0 HE22 GLN A 26 4.445 -6.486 -8.928 1.00 0.81 H new ATOM 435 N GLY A 27 3.608 -8.695 -2.365 1.00 0.23 N ATOM 436 CA GLY A 27 3.172 -9.838 -1.545 1.00 0.25 C ATOM 437 C GLY A 27 3.237 -9.595 -0.033 1.00 0.23 C ATOM 438 O GLY A 27 2.413 -10.124 0.721 1.00 0.30 O ATOM 0 H GLY A 27 4.293 -8.936 -3.082 1.00 0.23 H new ATOM 0 HA2 GLY A 27 2.148 -10.094 -1.816 1.00 0.25 H new ATOM 0 HA3 GLY A 27 3.791 -10.701 -1.789 1.00 0.25 H new ATOM 442 N GLU A 28 4.189 -8.765 0.407 1.00 0.22 N ATOM 443 CA GLU A 28 4.334 -8.418 1.823 1.00 0.25 C ATOM 444 C GLU A 28 3.140 -7.577 2.317 1.00 0.20 C ATOM 445 O GLU A 28 2.581 -7.849 3.386 1.00 0.24 O ATOM 446 CB GLU A 28 5.658 -7.662 2.042 1.00 0.34 C ATOM 447 CG GLU A 28 6.303 -7.920 3.403 1.00 0.96 C ATOM 448 CD GLU A 28 7.573 -7.119 3.617 1.00 1.05 C ATOM 449 OE1 GLU A 28 8.058 -6.500 2.652 1.00 1.59 O ATOM 450 OE2 GLU A 28 8.102 -7.129 4.743 1.00 1.62 O ATOM 0 H GLU A 28 4.874 -8.319 -0.203 1.00 0.22 H new ATOM 0 HA GLU A 28 4.350 -9.340 2.404 1.00 0.25 H new ATOM 0 HB2 GLU A 28 6.361 -7.946 1.259 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.476 -6.593 1.934 1.00 0.34 H new ATOM 0 HG2 GLU A 28 5.589 -7.676 4.190 1.00 0.96 H new ATOM 0 HG3 GLU A 28 6.530 -8.982 3.496 1.00 0.96 H new ATOM 457 N ILE A 29 2.735 -6.577 1.518 1.00 0.17 N ATOM 458 CA ILE A 29 1.582 -5.725 1.861 1.00 0.15 C ATOM 459 C ILE A 29 0.251 -6.458 1.580 1.00 0.14 C ATOM 460 O ILE A 29 -0.768 -6.152 2.207 1.00 0.16 O ATOM 461 CB ILE A 29 1.653 -4.310 1.181 1.00 0.16 C ATOM 462 CG1 ILE A 29 0.300 -3.807 0.658 1.00 0.15 C ATOM 463 CG2 ILE A 29 2.686 -4.259 0.060 1.00 0.23 C ATOM 464 CD1 ILE A 29 0.370 -2.397 0.102 1.00 0.16 C ATOM 0 H ILE A 29 3.185 -6.338 0.634 1.00 0.17 H new ATOM 0 HA ILE A 29 1.625 -5.533 2.933 1.00 0.15 H new ATOM 0 HB ILE A 29 1.963 -3.638 1.982 1.00 0.16 H new ATOM 0 HG12 ILE A 29 -0.057 -4.482 -0.120 1.00 0.15 H new ATOM 0 HG13 ILE A 29 -0.431 -3.838 1.466 1.00 0.15 H new ATOM 0 HG21 ILE A 29 2.698 -3.261 -0.379 1.00 0.23 H new ATOM 0 HG22 ILE A 29 3.672 -4.490 0.463 1.00 0.23 H new ATOM 0 HG23 ILE A 29 2.427 -4.989 -0.707 1.00 0.23 H new ATOM 0 HD11 ILE A 29 -0.616 -2.096 -0.252 1.00 0.16 H new ATOM 0 HD12 ILE A 29 0.698 -1.713 0.885 1.00 0.16 H new ATOM 0 HD13 ILE A 29 1.078 -2.367 -0.726 1.00 0.16 H new ATOM 476 N VAL A 30 0.289 -7.504 0.734 1.00 0.14 N ATOM 477 CA VAL A 30 -0.885 -8.356 0.485 1.00 0.16 C ATOM 478 C VAL A 30 -1.301 -9.047 1.791 1.00 0.17 C ATOM 479 O VAL A 30 -2.436 -8.899 2.261 1.00 0.24 O ATOM 480 CB VAL A 30 -0.602 -9.447 -0.595 1.00 0.18 C ATOM 481 CG1 VAL A 30 -1.753 -10.440 -0.702 1.00 0.29 C ATOM 482 CG2 VAL A 30 -0.334 -8.826 -1.958 1.00 0.23 C ATOM 0 H VAL A 30 1.121 -7.778 0.212 1.00 0.14 H new ATOM 0 HA VAL A 30 -1.683 -7.713 0.115 1.00 0.16 H new ATOM 0 HB VAL A 30 0.291 -9.982 -0.273 1.00 0.18 H new ATOM 0 HG11 VAL A 30 -1.521 -11.185 -1.463 1.00 0.29 H new ATOM 0 HG12 VAL A 30 -1.897 -10.935 0.258 1.00 0.29 H new ATOM 0 HG13 VAL A 30 -2.665 -9.911 -0.978 1.00 0.29 H new ATOM 0 HG21 VAL A 30 -0.141 -9.614 -2.685 1.00 0.23 H new ATOM 0 HG22 VAL A 30 -1.203 -8.248 -2.272 1.00 0.23 H new ATOM 0 HG23 VAL A 30 0.534 -8.170 -1.895 1.00 0.23 H new ATOM 492 N ALA A 31 -0.346 -9.771 2.387 1.00 0.17 N ATOM 493 CA ALA A 31 -0.570 -10.476 3.652 1.00 0.21 C ATOM 494 C ALA A 31 -0.879 -9.498 4.792 1.00 0.21 C ATOM 495 O ALA A 31 -1.753 -9.763 5.614 1.00 0.26 O ATOM 496 CB ALA A 31 0.641 -11.345 3.998 1.00 0.25 C ATOM 0 H ALA A 31 0.595 -9.883 2.009 1.00 0.17 H new ATOM 0 HA ALA A 31 -1.440 -11.121 3.528 1.00 0.21 H new ATOM 0 HB1 ALA A 31 0.460 -11.863 4.940 1.00 0.25 H new ATOM 0 HB2 ALA A 31 0.801 -12.077 3.207 1.00 0.25 H new ATOM 0 HB3 ALA A 31 1.525 -10.715 4.094 1.00 0.25 H new ATOM 502 N ALA A 32 -0.201 -8.341 4.793 1.00 0.18 N ATOM 503 CA ALA A 32 -0.409 -7.306 5.821 1.00 0.20 C ATOM 504 C ALA A 32 -1.880 -6.877 5.919 1.00 0.18 C ATOM 505 O ALA A 32 -2.446 -6.847 7.009 1.00 0.24 O ATOM 506 CB ALA A 32 0.475 -6.091 5.553 1.00 0.21 C ATOM 0 H ALA A 32 0.498 -8.096 4.092 1.00 0.18 H new ATOM 0 HA ALA A 32 -0.128 -7.747 6.777 1.00 0.20 H new ATOM 0 HB1 ALA A 32 0.305 -5.340 6.324 1.00 0.21 H new ATOM 0 HB2 ALA A 32 1.522 -6.393 5.566 1.00 0.21 H new ATOM 0 HB3 ALA A 32 0.230 -5.671 4.577 1.00 0.21 H new ATOM 512 N LEU A 33 -2.504 -6.572 4.772 1.00 0.15 N ATOM 513 CA LEU A 33 -3.918 -6.164 4.747 1.00 0.15 C ATOM 514 C LEU A 33 -4.841 -7.338 5.119 1.00 0.17 C ATOM 515 O LEU A 33 -5.810 -7.164 5.863 1.00 0.21 O ATOM 516 CB LEU A 33 -4.310 -5.578 3.381 1.00 0.21 C ATOM 517 CG LEU A 33 -3.477 -4.362 2.930 1.00 0.29 C ATOM 518 CD1 LEU A 33 -3.400 -4.293 1.410 1.00 0.47 C ATOM 519 CD2 LEU A 33 -4.056 -3.070 3.505 1.00 0.37 C ATOM 0 H LEU A 33 -2.057 -6.599 3.856 1.00 0.15 H new ATOM 0 HA LEU A 33 -4.044 -5.381 5.495 1.00 0.15 H new ATOM 0 HB2 LEU A 33 -4.220 -6.361 2.628 1.00 0.21 H new ATOM 0 HB3 LEU A 33 -5.360 -5.288 3.415 1.00 0.21 H new ATOM 0 HG LEU A 33 -2.464 -4.481 3.314 1.00 0.29 H new ATOM 0 HD11 LEU A 33 -2.807 -3.427 1.115 1.00 0.47 H new ATOM 0 HD12 LEU A 33 -2.932 -5.200 1.028 1.00 0.47 H new ATOM 0 HD13 LEU A 33 -4.405 -4.202 0.999 1.00 0.47 H new ATOM 0 HD21 LEU A 33 -3.454 -2.223 3.175 1.00 0.37 H new ATOM 0 HD22 LEU A 33 -5.081 -2.944 3.157 1.00 0.37 H new ATOM 0 HD23 LEU A 33 -4.046 -3.120 4.594 1.00 0.37 H new ATOM 531 N GLN A 34 -4.505 -8.551 4.665 1.00 0.20 N ATOM 532 CA GLN A 34 -5.286 -9.741 5.021 1.00 0.26 C ATOM 533 C GLN A 34 -5.257 -9.996 6.544 1.00 0.29 C ATOM 534 O GLN A 34 -6.224 -10.511 7.106 1.00 0.38 O ATOM 535 CB GLN A 34 -4.785 -10.965 4.241 1.00 0.29 C ATOM 536 CG GLN A 34 -5.178 -10.938 2.760 1.00 0.33 C ATOM 537 CD GLN A 34 -5.743 -12.249 2.263 1.00 0.58 C ATOM 538 OE1 GLN A 34 -6.739 -12.756 2.786 1.00 1.12 O ATOM 539 NE2 GLN A 34 -5.114 -12.794 1.241 1.00 0.58 N ATOM 0 H GLN A 34 -3.707 -8.734 4.057 1.00 0.20 H new ATOM 0 HA GLN A 34 -6.324 -9.562 4.742 1.00 0.26 H new ATOM 0 HB2 GLN A 34 -3.699 -11.020 4.321 1.00 0.29 H new ATOM 0 HB3 GLN A 34 -5.185 -11.869 4.700 1.00 0.29 H new ATOM 0 HG2 GLN A 34 -5.915 -10.151 2.602 1.00 0.33 H new ATOM 0 HG3 GLN A 34 -4.302 -10.680 2.164 1.00 0.33 H new ATOM 0 HE21 GLN A 34 -4.294 -12.336 0.843 1.00 0.58 H new ATOM 0 HE22 GLN A 34 -5.447 -13.674 0.848 1.00 0.58 H new ATOM 548 N GLU A 35 -4.181 -9.548 7.213 1.00 0.28 N ATOM 549 CA GLU A 35 -4.068 -9.634 8.680 1.00 0.34 C ATOM 550 C GLU A 35 -4.807 -8.461 9.355 1.00 0.34 C ATOM 551 O GLU A 35 -5.335 -8.607 10.458 1.00 0.45 O ATOM 552 CB GLU A 35 -2.590 -9.649 9.114 1.00 0.37 C ATOM 553 CG GLU A 35 -1.838 -10.909 8.690 1.00 0.65 C ATOM 554 CD GLU A 35 -0.688 -11.256 9.614 1.00 1.20 C ATOM 555 OE1 GLU A 35 0.429 -10.742 9.400 1.00 1.94 O ATOM 556 OE2 GLU A 35 -0.902 -12.039 10.558 1.00 1.78 O ATOM 0 H GLU A 35 -3.374 -9.121 6.759 1.00 0.28 H new ATOM 0 HA GLU A 35 -4.533 -10.567 8.998 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -2.088 -8.778 8.693 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -2.538 -9.553 10.199 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -2.535 -11.747 8.657 1.00 0.65 H new ATOM 0 HG3 GLU A 35 -1.455 -10.773 7.679 1.00 0.65 H new ATOM 563 N GLN A 36 -4.843 -7.298 8.680 1.00 0.26 N ATOM 564 CA GLN A 36 -5.535 -6.102 9.192 1.00 0.28 C ATOM 565 C GLN A 36 -7.042 -6.346 9.319 1.00 0.30 C ATOM 566 O GLN A 36 -7.618 -6.199 10.399 1.00 0.39 O ATOM 567 CB GLN A 36 -5.284 -4.897 8.265 1.00 0.26 C ATOM 568 CG GLN A 36 -3.877 -4.317 8.374 1.00 0.31 C ATOM 569 CD GLN A 36 -3.856 -2.797 8.315 1.00 0.49 C ATOM 570 OE1 GLN A 36 -4.498 -2.192 7.459 1.00 1.42 O ATOM 571 NE2 GLN A 36 -3.140 -2.175 9.237 1.00 0.65 N ATOM 0 H GLN A 36 -4.398 -7.161 7.773 1.00 0.26 H new ATOM 0 HA GLN A 36 -5.133 -5.886 10.182 1.00 0.28 H new ATOM 0 HB2 GLN A 36 -5.462 -5.201 7.234 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -6.008 -4.116 8.497 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -3.426 -4.645 9.310 1.00 0.31 H new ATOM 0 HG3 GLN A 36 -3.262 -4.715 7.567 1.00 0.31 H new ATOM 0 HE21 GLN A 36 -2.621 -2.715 9.930 1.00 0.65 H new ATOM 0 HE22 GLN A 36 -3.107 -1.156 9.255 1.00 0.65 H new ATOM 580 N GLY A 37 -7.668 -6.711 8.205 1.00 0.28 N ATOM 581 CA GLY A 37 -9.099 -6.975 8.189 1.00 0.33 C ATOM 582 C GLY A 37 -9.682 -6.915 6.786 1.00 0.34 C ATOM 583 O GLY A 37 -10.809 -6.456 6.603 1.00 0.46 O ATOM 0 H GLY A 37 -7.206 -6.830 7.303 1.00 0.28 H new ATOM 0 HA2 GLY A 37 -9.289 -7.959 8.617 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -9.607 -6.248 8.823 1.00 0.33 H new ATOM 587 N PHE A 38 -8.908 -7.369 5.794 1.00 0.30 N ATOM 588 CA PHE A 38 -9.332 -7.328 4.386 1.00 0.34 C ATOM 589 C PHE A 38 -9.251 -8.695 3.730 1.00 0.45 C ATOM 590 O PHE A 38 -8.606 -9.616 4.236 1.00 0.83 O ATOM 591 CB PHE A 38 -8.454 -6.344 3.609 1.00 0.31 C ATOM 592 CG PHE A 38 -8.495 -4.972 4.187 1.00 0.26 C ATOM 593 CD1 PHE A 38 -9.551 -4.133 3.910 1.00 1.19 C ATOM 594 CD2 PHE A 38 -7.526 -4.559 5.079 1.00 1.24 C ATOM 595 CE1 PHE A 38 -9.612 -2.878 4.477 1.00 1.19 C ATOM 596 CE2 PHE A 38 -7.576 -3.312 5.648 1.00 1.26 C ATOM 597 CZ PHE A 38 -8.617 -2.466 5.345 1.00 0.29 C ATOM 0 H PHE A 38 -7.982 -7.771 5.939 1.00 0.30 H new ATOM 0 HA PHE A 38 -10.372 -7.004 4.366 1.00 0.34 H new ATOM 0 HB2 PHE A 38 -7.425 -6.704 3.605 1.00 0.31 H new ATOM 0 HB3 PHE A 38 -8.783 -6.308 2.571 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -10.336 -4.460 3.245 1.00 1.19 H new ATOM 0 HD2 PHE A 38 -6.717 -5.228 5.333 1.00 1.24 H new ATOM 0 HE1 PHE A 38 -10.435 -2.218 4.244 1.00 1.19 H new ATOM 0 HE2 PHE A 38 -6.801 -2.996 6.331 1.00 1.26 H new ATOM 0 HZ PHE A 38 -8.658 -1.480 5.785 1.00 0.29 H new ATOM 607 N ASP A 39 -9.891 -8.796 2.574 1.00 0.46 N ATOM 608 CA ASP A 39 -9.856 -9.979 1.754 1.00 0.58 C ATOM 609 C ASP A 39 -9.787 -9.537 0.298 1.00 0.69 C ATOM 610 O ASP A 39 -9.387 -8.408 0.001 1.00 1.55 O ATOM 611 CB ASP A 39 -11.099 -10.863 2.013 1.00 0.72 C ATOM 612 CG ASP A 39 -10.819 -12.339 1.823 1.00 1.53 C ATOM 613 OD1 ASP A 39 -10.169 -12.935 2.698 1.00 2.21 O ATOM 614 OD2 ASP A 39 -11.222 -12.891 0.780 1.00 2.24 O ATOM 0 H ASP A 39 -10.455 -8.042 2.181 1.00 0.46 H new ATOM 0 HA ASP A 39 -8.982 -10.583 1.999 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -11.455 -10.693 3.029 1.00 0.72 H new ATOM 0 HB3 ASP A 39 -11.901 -10.560 1.340 1.00 0.72 H new ATOM 619 N ASN A 40 -10.145 -10.453 -0.587 1.00 0.95 N ATOM 620 CA ASN A 40 -10.101 -10.271 -2.064 1.00 1.07 C ATOM 621 C ASN A 40 -8.776 -9.649 -2.549 1.00 0.91 C ATOM 622 O ASN A 40 -8.674 -9.190 -3.688 1.00 1.18 O ATOM 623 CB ASN A 40 -11.322 -9.455 -2.576 1.00 1.35 C ATOM 624 CG ASN A 40 -11.257 -7.954 -2.284 1.00 1.76 C ATOM 625 OD1 ASN A 40 -10.601 -7.191 -2.999 1.00 2.30 O ATOM 626 ND2 ASN A 40 -11.957 -7.519 -1.246 1.00 2.30 N ATOM 0 H ASN A 40 -10.486 -11.374 -0.311 1.00 0.95 H new ATOM 0 HA ASN A 40 -10.156 -11.270 -2.496 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -11.411 -9.598 -3.653 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -12.228 -9.860 -2.124 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -11.965 -6.525 -1.017 1.00 2.30 H new ATOM 0 HD22 ASN A 40 -12.488 -8.178 -0.677 1.00 2.30 H new ATOM 633 N ILE A 41 -7.758 -9.695 -1.694 1.00 0.58 N ATOM 634 CA ILE A 41 -6.479 -9.065 -1.959 1.00 0.44 C ATOM 635 C ILE A 41 -5.398 -10.097 -2.265 1.00 0.39 C ATOM 636 O ILE A 41 -5.173 -11.036 -1.498 1.00 0.62 O ATOM 637 CB ILE A 41 -6.076 -8.167 -0.749 1.00 0.40 C ATOM 638 CG1 ILE A 41 -6.681 -6.773 -0.922 1.00 0.60 C ATOM 639 CG2 ILE A 41 -4.564 -8.057 -0.559 1.00 0.39 C ATOM 640 CD1 ILE A 41 -5.721 -5.771 -1.526 1.00 1.68 C ATOM 0 H ILE A 41 -7.803 -10.174 -0.795 1.00 0.58 H new ATOM 0 HA ILE A 41 -6.578 -8.439 -2.846 1.00 0.44 H new ATOM 0 HB ILE A 41 -6.470 -8.645 0.148 1.00 0.40 H new ATOM 0 HG12 ILE A 41 -7.565 -6.845 -1.555 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -7.014 -6.406 0.049 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -4.351 -7.419 0.299 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -4.146 -9.049 -0.386 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -4.115 -7.625 -1.453 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -6.216 -4.804 -1.620 1.00 1.68 H new ATOM 0 HD12 ILE A 41 -4.847 -5.670 -0.882 1.00 1.68 H new ATOM 0 HD13 ILE A 41 -5.408 -6.116 -2.511 1.00 1.68 H new ATOM 652 N ASN A 42 -4.736 -9.889 -3.395 1.00 0.33 N ATOM 653 CA ASN A 42 -3.618 -10.722 -3.834 1.00 0.31 C ATOM 654 C ASN A 42 -2.567 -9.836 -4.523 1.00 0.24 C ATOM 655 O ASN A 42 -2.721 -8.610 -4.577 1.00 0.25 O ATOM 656 CB ASN A 42 -4.100 -11.876 -4.747 1.00 0.40 C ATOM 657 CG ASN A 42 -4.483 -11.448 -6.156 1.00 0.48 C ATOM 658 OD1 ASN A 42 -3.637 -11.416 -7.051 1.00 0.66 O ATOM 659 ND2 ASN A 42 -5.752 -11.122 -6.365 1.00 0.91 N ATOM 0 H ASN A 42 -4.960 -9.131 -4.040 1.00 0.33 H new ATOM 0 HA ASN A 42 -3.156 -11.194 -2.967 1.00 0.31 H new ATOM 0 HB2 ASN A 42 -3.311 -12.626 -4.810 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -4.960 -12.357 -4.280 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -6.058 -10.832 -7.294 1.00 0.91 H new ATOM 0 HD22 ASN A 42 -6.422 -11.162 -5.597 1.00 0.91 H new ATOM 666 N GLN A 43 -1.507 -10.452 -5.056 1.00 0.24 N ATOM 667 CA GLN A 43 -0.405 -9.711 -5.695 1.00 0.26 C ATOM 668 C GLN A 43 -0.877 -8.763 -6.819 1.00 0.22 C ATOM 669 O GLN A 43 -0.301 -7.692 -7.002 1.00 0.24 O ATOM 670 CB GLN A 43 0.655 -10.689 -6.235 1.00 0.37 C ATOM 671 CG GLN A 43 2.040 -10.063 -6.384 1.00 0.56 C ATOM 672 CD GLN A 43 3.084 -11.047 -6.877 1.00 0.88 C ATOM 673 OE1 GLN A 43 3.427 -11.068 -8.057 1.00 1.66 O ATOM 674 NE2 GLN A 43 3.591 -11.877 -5.978 1.00 1.43 N ATOM 0 H GLN A 43 -1.385 -11.465 -5.059 1.00 0.24 H new ATOM 0 HA GLN A 43 0.033 -9.082 -4.921 1.00 0.26 H new ATOM 0 HB2 GLN A 43 0.722 -11.546 -5.565 1.00 0.37 H new ATOM 0 HB3 GLN A 43 0.329 -11.067 -7.204 1.00 0.37 H new ATOM 0 HG2 GLN A 43 1.981 -9.225 -7.079 1.00 0.56 H new ATOM 0 HG3 GLN A 43 2.355 -9.658 -5.422 1.00 0.56 H new ATOM 0 HE21 GLN A 43 3.281 -11.829 -5.007 1.00 1.43 H new ATOM 0 HE22 GLN A 43 4.292 -12.564 -6.256 1.00 1.43 H new ATOM 683 N SER A 44 -1.931 -9.146 -7.552 1.00 0.25 N ATOM 684 CA SER A 44 -2.458 -8.325 -8.646 1.00 0.29 C ATOM 685 C SER A 44 -3.085 -7.024 -8.129 1.00 0.28 C ATOM 686 O SER A 44 -2.689 -5.933 -8.533 1.00 0.34 O ATOM 687 CB SER A 44 -3.487 -9.135 -9.450 1.00 0.36 C ATOM 688 OG SER A 44 -4.694 -9.334 -8.721 1.00 0.83 O ATOM 0 H SER A 44 -2.435 -10.021 -7.405 1.00 0.25 H new ATOM 0 HA SER A 44 -1.626 -8.048 -9.294 1.00 0.29 H new ATOM 0 HB2 SER A 44 -3.708 -8.617 -10.383 1.00 0.36 H new ATOM 0 HB3 SER A 44 -3.060 -10.102 -9.716 1.00 0.36 H new ATOM 0 HG SER A 44 -5.324 -9.851 -9.265 1.00 0.83 H new ATOM 694 N LYS A 45 -4.032 -7.158 -7.198 1.00 0.27 N ATOM 695 CA LYS A 45 -4.734 -6.009 -6.603 1.00 0.30 C ATOM 696 C LYS A 45 -3.758 -5.048 -5.895 1.00 0.22 C ATOM 697 O LYS A 45 -3.954 -3.834 -5.903 1.00 0.26 O ATOM 698 CB LYS A 45 -5.807 -6.510 -5.615 1.00 0.39 C ATOM 699 CG LYS A 45 -7.088 -5.677 -5.611 1.00 0.64 C ATOM 700 CD LYS A 45 -8.321 -6.554 -5.806 1.00 1.44 C ATOM 701 CE LYS A 45 -9.611 -5.742 -5.815 1.00 1.92 C ATOM 702 NZ LYS A 45 -9.727 -4.867 -4.618 1.00 2.16 N ATOM 0 H LYS A 45 -4.336 -8.061 -6.834 1.00 0.27 H new ATOM 0 HA LYS A 45 -5.213 -5.451 -7.408 1.00 0.30 H new ATOM 0 HB2 LYS A 45 -6.058 -7.542 -5.860 1.00 0.39 H new ATOM 0 HB3 LYS A 45 -5.386 -6.515 -4.610 1.00 0.39 H new ATOM 0 HG2 LYS A 45 -7.169 -5.136 -4.668 1.00 0.64 H new ATOM 0 HG3 LYS A 45 -7.041 -4.930 -6.404 1.00 0.64 H new ATOM 0 HD2 LYS A 45 -8.231 -7.100 -6.745 1.00 1.44 H new ATOM 0 HD3 LYS A 45 -8.367 -7.296 -5.009 1.00 1.44 H new ATOM 0 HE2 LYS A 45 -9.648 -5.130 -6.716 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -10.465 -6.418 -5.854 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -10.610 -4.320 -4.672 1.00 2.16 H new ATOM 0 HZ2 LYS A 45 -9.735 -5.453 -3.759 1.00 2.16 H new ATOM 0 HZ3 LYS A 45 -8.917 -4.215 -4.585 1.00 2.16 H new ATOM 716 N VAL A 46 -2.701 -5.611 -5.304 1.00 0.17 N ATOM 717 CA VAL A 46 -1.664 -4.835 -4.615 1.00 0.15 C ATOM 718 C VAL A 46 -0.735 -4.142 -5.623 1.00 0.15 C ATOM 719 O VAL A 46 -0.401 -2.970 -5.455 1.00 0.20 O ATOM 720 CB VAL A 46 -0.881 -5.737 -3.627 1.00 0.18 C ATOM 721 CG1 VAL A 46 0.412 -5.091 -3.143 1.00 0.23 C ATOM 722 CG2 VAL A 46 -1.777 -6.072 -2.438 1.00 0.22 C ATOM 0 H VAL A 46 -2.539 -6.618 -5.289 1.00 0.17 H new ATOM 0 HA VAL A 46 -2.144 -4.049 -4.033 1.00 0.15 H new ATOM 0 HB VAL A 46 -0.599 -6.646 -4.158 1.00 0.18 H new ATOM 0 HG11 VAL A 46 0.920 -5.766 -2.454 1.00 0.23 H new ATOM 0 HG12 VAL A 46 1.059 -4.889 -3.996 1.00 0.23 H new ATOM 0 HG13 VAL A 46 0.183 -4.156 -2.632 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -1.232 -6.706 -1.739 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -2.075 -5.151 -1.936 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -2.665 -6.598 -2.788 1.00 0.22 H new ATOM 732 N SER A 47 -0.389 -4.838 -6.713 1.00 0.17 N ATOM 733 CA SER A 47 0.439 -4.249 -7.775 1.00 0.21 C ATOM 734 C SER A 47 -0.349 -3.181 -8.553 1.00 0.22 C ATOM 735 O SER A 47 0.198 -2.138 -8.922 1.00 0.24 O ATOM 736 CB SER A 47 0.941 -5.345 -8.723 1.00 0.29 C ATOM 737 OG SER A 47 1.752 -4.817 -9.763 1.00 1.26 O ATOM 0 H SER A 47 -0.667 -5.804 -6.883 1.00 0.17 H new ATOM 0 HA SER A 47 1.299 -3.765 -7.313 1.00 0.21 H new ATOM 0 HB2 SER A 47 1.511 -6.081 -8.157 1.00 0.29 H new ATOM 0 HB3 SER A 47 0.089 -5.867 -9.157 1.00 0.29 H new ATOM 0 HG SER A 47 2.053 -5.546 -10.345 1.00 1.26 H new ATOM 743 N ARG A 48 -1.644 -3.434 -8.768 1.00 0.23 N ATOM 744 CA ARG A 48 -2.514 -2.484 -9.469 1.00 0.26 C ATOM 745 C ARG A 48 -2.726 -1.217 -8.634 1.00 0.20 C ATOM 746 O ARG A 48 -2.651 -0.107 -9.157 1.00 0.22 O ATOM 747 CB ARG A 48 -3.860 -3.142 -9.809 1.00 0.32 C ATOM 748 CG ARG A 48 -3.791 -4.049 -11.036 1.00 0.41 C ATOM 749 CD ARG A 48 -5.077 -4.844 -11.236 1.00 1.03 C ATOM 750 NE ARG A 48 -6.216 -3.989 -11.583 1.00 1.58 N ATOM 751 CZ ARG A 48 -7.446 -4.456 -11.849 1.00 2.32 C ATOM 752 NH1 ARG A 48 -7.684 -5.765 -11.813 1.00 2.75 N ATOM 753 NH2 ARG A 48 -8.425 -3.616 -12.161 1.00 3.20 N ATOM 0 H ARG A 48 -2.113 -4.288 -8.467 1.00 0.23 H new ATOM 0 HA ARG A 48 -2.025 -2.195 -10.399 1.00 0.26 H new ATOM 0 HB2 ARG A 48 -4.199 -3.725 -8.953 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -4.604 -2.365 -9.981 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -3.598 -3.445 -11.922 1.00 0.41 H new ATOM 0 HG3 ARG A 48 -2.953 -4.738 -10.930 1.00 0.41 H new ATOM 0 HD2 ARG A 48 -4.926 -5.581 -12.025 1.00 1.03 H new ATOM 0 HD3 ARG A 48 -5.305 -5.396 -10.324 1.00 1.03 H new ATOM 0 HE ARG A 48 -6.065 -2.981 -11.625 1.00 1.58 H new ATOM 0 HH11 ARG A 48 -6.931 -6.414 -11.583 1.00 2.75 H new ATOM 0 HH12 ARG A 48 -8.619 -6.119 -12.015 1.00 2.75 H new ATOM 0 HH21 ARG A 48 -8.244 -2.613 -12.199 1.00 3.20 H new ATOM 0 HH22 ARG A 48 -9.359 -3.973 -12.363 1.00 3.20 H new ATOM 767 N MET A 49 -2.918 -1.386 -7.324 1.00 0.17 N ATOM 768 CA MET A 49 -3.068 -0.248 -6.411 1.00 0.16 C ATOM 769 C MET A 49 -1.753 0.547 -6.297 1.00 0.13 C ATOM 770 O MET A 49 -1.777 1.773 -6.201 1.00 0.14 O ATOM 771 CB MET A 49 -3.546 -0.714 -5.028 1.00 0.18 C ATOM 772 CG MET A 49 -5.058 -0.877 -4.935 1.00 0.27 C ATOM 773 SD MET A 49 -5.635 -1.068 -3.239 1.00 1.49 S ATOM 774 CE MET A 49 -5.107 -2.740 -2.887 1.00 2.00 C ATOM 0 H MET A 49 -2.973 -2.298 -6.871 1.00 0.17 H new ATOM 0 HA MET A 49 -3.827 0.416 -6.826 1.00 0.16 H new ATOM 0 HB2 MET A 49 -3.070 -1.665 -4.788 1.00 0.18 H new ATOM 0 HB3 MET A 49 -3.218 0.005 -4.277 1.00 0.18 H new ATOM 0 HG2 MET A 49 -5.541 -0.009 -5.383 1.00 0.27 H new ATOM 0 HG3 MET A 49 -5.362 -1.747 -5.518 1.00 0.27 H new ATOM 0 HE1 MET A 49 -5.113 -2.904 -1.809 1.00 2.00 H new ATOM 0 HE2 MET A 49 -5.787 -3.445 -3.366 1.00 2.00 H new ATOM 0 HE3 MET A 49 -4.098 -2.892 -3.271 1.00 2.00 H new ATOM 784 N LEU A 50 -0.603 -0.150 -6.363 1.00 0.13 N ATOM 785 CA LEU A 50 0.716 0.509 -6.331 1.00 0.14 C ATOM 786 C LEU A 50 0.887 1.448 -7.535 1.00 0.17 C ATOM 787 O LEU A 50 1.329 2.591 -7.388 1.00 0.21 O ATOM 788 CB LEU A 50 1.854 -0.537 -6.303 1.00 0.18 C ATOM 789 CG LEU A 50 2.252 -1.027 -4.903 1.00 0.19 C ATOM 790 CD1 LEU A 50 2.836 -2.433 -4.960 1.00 0.33 C ATOM 791 CD2 LEU A 50 3.238 -0.074 -4.248 1.00 0.32 C ATOM 0 H LEU A 50 -0.561 -1.166 -6.439 1.00 0.13 H new ATOM 0 HA LEU A 50 0.770 1.103 -5.419 1.00 0.14 H new ATOM 0 HB2 LEU A 50 1.551 -1.397 -6.900 1.00 0.18 H new ATOM 0 HB3 LEU A 50 2.733 -0.108 -6.785 1.00 0.18 H new ATOM 0 HG LEU A 50 1.347 -1.054 -4.296 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.109 -2.755 -3.955 1.00 0.33 H new ATOM 0 HD12 LEU A 50 2.095 -3.118 -5.372 1.00 0.33 H new ATOM 0 HD13 LEU A 50 3.722 -2.433 -5.594 1.00 0.33 H new ATOM 0 HD21 LEU A 50 3.502 -0.447 -3.258 1.00 0.32 H new ATOM 0 HD22 LEU A 50 4.137 -0.003 -4.860 1.00 0.32 H new ATOM 0 HD23 LEU A 50 2.784 0.912 -4.155 1.00 0.32 H new ATOM 803 N THR A 51 0.469 0.971 -8.710 1.00 0.19 N ATOM 804 CA THR A 51 0.521 1.757 -9.948 1.00 0.23 C ATOM 805 C THR A 51 -0.557 2.858 -9.950 1.00 0.24 C ATOM 806 O THR A 51 -0.285 4.002 -10.316 1.00 0.32 O ATOM 807 CB THR A 51 0.347 0.838 -11.175 1.00 0.28 C ATOM 808 OG1 THR A 51 0.978 -0.422 -10.968 1.00 0.35 O ATOM 809 CG2 THR A 51 0.916 1.427 -12.452 1.00 0.34 C ATOM 0 H THR A 51 0.086 0.033 -8.831 1.00 0.19 H new ATOM 0 HA THR A 51 1.498 2.237 -10.002 1.00 0.23 H new ATOM 0 HB THR A 51 -0.731 0.723 -11.289 1.00 0.28 H new ATOM 0 HG1 THR A 51 0.467 -0.940 -10.312 1.00 0.35 H new ATOM 0 HG21 THR A 51 0.760 0.730 -13.275 1.00 0.34 H new ATOM 0 HG22 THR A 51 0.414 2.369 -12.674 1.00 0.34 H new ATOM 0 HG23 THR A 51 1.984 1.606 -12.326 1.00 0.34 H new ATOM 817 N LYS A 52 -1.771 2.503 -9.498 1.00 0.20 N ATOM 818 CA LYS A 52 -2.904 3.438 -9.428 1.00 0.22 C ATOM 819 C LYS A 52 -2.605 4.612 -8.494 1.00 0.24 C ATOM 820 O LYS A 52 -2.736 5.774 -8.883 1.00 0.32 O ATOM 821 CB LYS A 52 -4.170 2.695 -8.946 1.00 0.22 C ATOM 822 CG LYS A 52 -5.401 3.587 -8.760 1.00 0.32 C ATOM 823 CD LYS A 52 -5.654 3.901 -7.286 1.00 0.46 C ATOM 824 CE LYS A 52 -6.939 4.697 -7.079 1.00 0.74 C ATOM 825 NZ LYS A 52 -7.110 5.768 -8.098 1.00 1.23 N ATOM 0 H LYS A 52 -1.993 1.562 -9.172 1.00 0.20 H new ATOM 0 HA LYS A 52 -3.071 3.837 -10.428 1.00 0.22 H new ATOM 0 HB2 LYS A 52 -4.411 1.911 -9.664 1.00 0.22 H new ATOM 0 HB3 LYS A 52 -3.948 2.203 -7.999 1.00 0.22 H new ATOM 0 HG2 LYS A 52 -5.263 4.517 -9.312 1.00 0.32 H new ATOM 0 HG3 LYS A 52 -6.276 3.093 -9.182 1.00 0.32 H new ATOM 0 HD2 LYS A 52 -5.711 2.970 -6.722 1.00 0.46 H new ATOM 0 HD3 LYS A 52 -4.811 4.465 -6.886 1.00 0.46 H new ATOM 0 HE2 LYS A 52 -7.793 4.021 -7.119 1.00 0.74 H new ATOM 0 HE3 LYS A 52 -6.931 5.143 -6.084 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 -7.866 6.416 -7.797 1.00 1.23 H new ATOM 0 HZ2 LYS A 52 -6.220 6.297 -8.198 1.00 1.23 H new ATOM 0 HZ3 LYS A 52 -7.364 5.341 -9.012 1.00 1.23 H new ATOM 839 N PHE A 53 -2.214 4.305 -7.255 1.00 0.23 N ATOM 840 CA PHE A 53 -1.904 5.334 -6.254 1.00 0.27 C ATOM 841 C PHE A 53 -0.569 6.036 -6.549 1.00 0.31 C ATOM 842 O PHE A 53 -0.369 7.182 -6.149 1.00 0.49 O ATOM 843 CB PHE A 53 -1.894 4.723 -4.835 1.00 0.25 C ATOM 844 CG PHE A 53 -3.266 4.369 -4.313 1.00 0.27 C ATOM 845 CD1 PHE A 53 -4.275 5.320 -4.258 1.00 1.13 C ATOM 846 CD2 PHE A 53 -3.540 3.087 -3.867 1.00 1.24 C ATOM 847 CE1 PHE A 53 -5.528 4.993 -3.778 1.00 1.13 C ATOM 848 CE2 PHE A 53 -4.788 2.755 -3.387 1.00 1.27 C ATOM 849 CZ PHE A 53 -5.786 3.709 -3.343 1.00 0.37 C ATOM 0 H PHE A 53 -2.104 3.349 -6.918 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.688 6.089 -6.307 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -1.275 3.826 -4.841 1.00 0.25 H new ATOM 0 HB3 PHE A 53 -1.426 5.429 -4.149 1.00 0.25 H new ATOM 0 HD1 PHE A 53 -4.078 6.327 -4.594 1.00 1.13 H new ATOM 0 HD2 PHE A 53 -2.764 2.336 -3.896 1.00 1.24 H new ATOM 0 HE1 PHE A 53 -6.306 5.742 -3.743 1.00 1.13 H new ATOM 0 HE2 PHE A 53 -4.986 1.750 -3.045 1.00 1.27 H new ATOM 0 HZ PHE A 53 -6.766 3.451 -2.969 1.00 0.37 H new ATOM 859 N GLY A 54 0.320 5.359 -7.283 1.00 0.27 N ATOM 860 CA GLY A 54 1.606 5.943 -7.653 1.00 0.32 C ATOM 861 C GLY A 54 2.626 5.886 -6.530 1.00 0.28 C ATOM 862 O GLY A 54 3.144 6.918 -6.097 1.00 0.32 O ATOM 0 H GLY A 54 0.171 4.411 -7.629 1.00 0.27 H new ATOM 0 HA2 GLY A 54 2.001 5.418 -8.523 1.00 0.32 H new ATOM 0 HA3 GLY A 54 1.456 6.981 -7.949 1.00 0.32 H new ATOM 866 N ALA A 55 2.929 4.672 -6.071 1.00 0.25 N ATOM 867 CA ALA A 55 3.900 4.468 -4.995 1.00 0.24 C ATOM 868 C ALA A 55 5.339 4.590 -5.507 1.00 0.25 C ATOM 869 O ALA A 55 5.616 4.332 -6.682 1.00 0.43 O ATOM 870 CB ALA A 55 3.679 3.110 -4.335 1.00 0.30 C ATOM 0 H ALA A 55 2.514 3.812 -6.429 1.00 0.25 H new ATOM 0 HA ALA A 55 3.747 5.251 -4.252 1.00 0.24 H new ATOM 0 HB1 ALA A 55 4.408 2.971 -3.536 1.00 0.30 H new ATOM 0 HB2 ALA A 55 2.672 3.067 -3.919 1.00 0.30 H new ATOM 0 HB3 ALA A 55 3.799 2.321 -5.077 1.00 0.30 H new ATOM 876 N VAL A 56 6.242 4.969 -4.605 1.00 0.22 N ATOM 877 CA VAL A 56 7.661 5.139 -4.928 1.00 0.26 C ATOM 878 C VAL A 56 8.536 4.362 -3.939 1.00 0.26 C ATOM 879 O VAL A 56 8.245 4.325 -2.743 1.00 0.39 O ATOM 880 CB VAL A 56 8.056 6.642 -4.922 1.00 0.34 C ATOM 881 CG1 VAL A 56 7.233 7.409 -5.946 1.00 0.55 C ATOM 882 CG2 VAL A 56 7.888 7.269 -3.539 1.00 0.44 C ATOM 0 H VAL A 56 6.013 5.167 -3.631 1.00 0.22 H new ATOM 0 HA VAL A 56 7.826 4.743 -5.930 1.00 0.26 H new ATOM 0 HB VAL A 56 9.111 6.703 -5.188 1.00 0.34 H new ATOM 0 HG11 VAL A 56 7.521 8.460 -5.930 1.00 0.55 H new ATOM 0 HG12 VAL A 56 7.414 6.998 -6.939 1.00 0.55 H new ATOM 0 HG13 VAL A 56 6.174 7.319 -5.703 1.00 0.55 H new ATOM 0 HG21 VAL A 56 8.175 8.320 -3.579 1.00 0.44 H new ATOM 0 HG22 VAL A 56 6.847 7.189 -3.227 1.00 0.44 H new ATOM 0 HG23 VAL A 56 8.523 6.747 -2.823 1.00 0.44 H new ATOM 892 N ARG A 57 9.593 3.724 -4.442 1.00 0.39 N ATOM 893 CA ARG A 57 10.506 2.951 -3.590 1.00 0.41 C ATOM 894 C ARG A 57 11.559 3.874 -2.959 1.00 0.46 C ATOM 895 O ARG A 57 12.066 4.791 -3.617 1.00 0.58 O ATOM 896 CB ARG A 57 11.174 1.823 -4.395 1.00 0.48 C ATOM 897 CG ARG A 57 10.205 1.024 -5.268 1.00 0.65 C ATOM 898 CD ARG A 57 10.536 -0.463 -5.304 1.00 0.87 C ATOM 899 NE ARG A 57 11.983 -0.708 -5.316 1.00 0.83 N ATOM 900 CZ ARG A 57 12.572 -1.760 -4.745 1.00 1.10 C ATOM 901 NH1 ARG A 57 11.852 -2.674 -4.109 1.00 1.87 N ATOM 902 NH2 ARG A 57 13.888 -1.884 -4.799 1.00 1.34 N ATOM 0 H ARG A 57 9.840 3.725 -5.432 1.00 0.39 H new ATOM 0 HA ARG A 57 9.928 2.494 -2.787 1.00 0.41 H new ATOM 0 HB2 ARG A 57 11.949 2.253 -5.030 1.00 0.48 H new ATOM 0 HB3 ARG A 57 11.670 1.142 -3.704 1.00 0.48 H new ATOM 0 HG2 ARG A 57 9.190 1.157 -4.893 1.00 0.65 H new ATOM 0 HG3 ARG A 57 10.225 1.421 -6.283 1.00 0.65 H new ATOM 0 HD2 ARG A 57 10.093 -0.953 -4.437 1.00 0.87 H new ATOM 0 HD3 ARG A 57 10.086 -0.913 -6.189 1.00 0.87 H new ATOM 0 HE ARG A 57 12.577 -0.029 -5.792 1.00 0.83 H new ATOM 0 HH11 ARG A 57 10.838 -2.576 -4.053 1.00 1.87 H new ATOM 0 HH12 ARG A 57 12.312 -3.475 -3.676 1.00 1.87 H new ATOM 0 HH21 ARG A 57 14.448 -1.177 -5.276 1.00 1.34 H new ATOM 0 HH22 ARG A 57 14.343 -2.687 -4.364 1.00 1.34 H new ATOM 916 N THR A 58 11.858 3.653 -1.679 1.00 0.44 N ATOM 917 CA THR A 58 12.808 4.498 -0.945 1.00 0.54 C ATOM 918 C THR A 58 13.496 3.716 0.185 1.00 0.50 C ATOM 919 O THR A 58 13.018 2.666 0.612 1.00 0.44 O ATOM 920 CB THR A 58 12.073 5.738 -0.389 1.00 0.69 C ATOM 921 OG1 THR A 58 12.984 6.659 0.190 1.00 1.32 O ATOM 922 CG2 THR A 58 11.019 5.411 0.655 1.00 1.17 C ATOM 0 H THR A 58 11.457 2.896 -1.126 1.00 0.44 H new ATOM 0 HA THR A 58 13.588 4.824 -1.633 1.00 0.54 H new ATOM 0 HB THR A 58 11.574 6.172 -1.255 1.00 0.69 H new ATOM 0 HG1 THR A 58 12.492 7.435 0.532 1.00 1.32 H new ATOM 0 HG21 THR A 58 10.547 6.332 0.997 1.00 1.17 H new ATOM 0 HG22 THR A 58 10.264 4.758 0.218 1.00 1.17 H new ATOM 0 HG23 THR A 58 11.488 4.908 1.501 1.00 1.17 H new ATOM 930 N ARG A 59 14.635 4.238 0.654 1.00 0.59 N ATOM 931 CA ARG A 59 15.395 3.619 1.748 1.00 0.63 C ATOM 932 C ARG A 59 14.848 4.076 3.107 1.00 0.69 C ATOM 933 O ARG A 59 14.729 5.278 3.358 1.00 0.83 O ATOM 934 CB ARG A 59 16.893 3.986 1.631 1.00 0.78 C ATOM 935 CG ARG A 59 17.804 2.788 1.361 1.00 1.38 C ATOM 936 CD ARG A 59 19.214 3.006 1.905 1.00 1.32 C ATOM 937 NE ARG A 59 20.076 3.722 0.951 1.00 1.45 N ATOM 938 CZ ARG A 59 20.927 4.698 1.279 1.00 1.72 C ATOM 939 NH1 ARG A 59 21.044 5.108 2.536 1.00 2.35 N ATOM 940 NH2 ARG A 59 21.666 5.262 0.335 1.00 2.08 N ATOM 0 H ARG A 59 15.054 5.094 0.290 1.00 0.59 H new ATOM 0 HA ARG A 59 15.288 2.537 1.674 1.00 0.63 H new ATOM 0 HB2 ARG A 59 17.017 4.713 0.828 1.00 0.78 H new ATOM 0 HB3 ARG A 59 17.211 4.472 2.553 1.00 0.78 H new ATOM 0 HG2 ARG A 59 17.374 1.896 1.816 1.00 1.38 H new ATOM 0 HG3 ARG A 59 17.854 2.605 0.288 1.00 1.38 H new ATOM 0 HD2 ARG A 59 19.159 3.570 2.836 1.00 1.32 H new ATOM 0 HD3 ARG A 59 19.662 2.041 2.143 1.00 1.32 H new ATOM 0 HE ARG A 59 20.020 3.454 -0.031 1.00 1.45 H new ATOM 0 HH11 ARG A 59 20.479 4.677 3.268 1.00 2.35 H new ATOM 0 HH12 ARG A 59 21.698 5.854 2.770 1.00 2.35 H new ATOM 0 HH21 ARG A 59 21.582 4.950 -0.633 1.00 2.08 H new ATOM 0 HH22 ARG A 59 22.319 6.008 0.576 1.00 2.08 H new ATOM 954 N ASN A 60 14.529 3.121 3.988 1.00 0.68 N ATOM 955 CA ASN A 60 14.015 3.440 5.332 1.00 0.81 C ATOM 956 C ASN A 60 15.165 3.709 6.320 1.00 0.95 C ATOM 957 O ASN A 60 16.332 3.793 5.921 1.00 1.04 O ATOM 958 CB ASN A 60 13.070 2.325 5.847 1.00 0.82 C ATOM 959 CG ASN A 60 13.749 0.990 6.149 1.00 0.78 C ATOM 960 OD1 ASN A 60 14.963 0.841 6.011 1.00 1.00 O ATOM 961 ND2 ASN A 60 12.962 0.011 6.579 1.00 0.83 N ATOM 0 H ASN A 60 14.616 2.123 3.799 1.00 0.68 H new ATOM 0 HA ASN A 60 13.430 4.357 5.257 1.00 0.81 H new ATOM 0 HB2 ASN A 60 12.577 2.678 6.753 1.00 0.82 H new ATOM 0 HB3 ASN A 60 12.290 2.159 5.104 1.00 0.82 H new ATOM 0 HD21 ASN A 60 13.360 -0.900 6.807 1.00 0.83 H new ATOM 0 HD22 ASN A 60 11.960 0.170 6.682 1.00 0.83 H new ATOM 968 N ALA A 61 14.835 3.824 7.610 1.00 1.04 N ATOM 969 CA ALA A 61 15.837 4.091 8.656 1.00 1.20 C ATOM 970 C ALA A 61 16.867 2.956 8.791 1.00 1.20 C ATOM 971 O ALA A 61 17.980 3.181 9.274 1.00 1.38 O ATOM 972 CB ALA A 61 15.150 4.341 9.997 1.00 1.32 C ATOM 0 H ALA A 61 13.881 3.737 7.959 1.00 1.04 H new ATOM 0 HA ALA A 61 16.382 4.985 8.353 1.00 1.20 H new ATOM 0 HB1 ALA A 61 15.903 4.537 10.761 1.00 1.32 H new ATOM 0 HB2 ALA A 61 14.487 5.202 9.911 1.00 1.32 H new ATOM 0 HB3 ALA A 61 14.569 3.463 10.277 1.00 1.32 H new ATOM 978 N LYS A 62 16.502 1.744 8.347 1.00 1.07 N ATOM 979 CA LYS A 62 17.400 0.584 8.416 1.00 1.12 C ATOM 980 C LYS A 62 18.094 0.318 7.075 1.00 1.01 C ATOM 981 O LYS A 62 18.663 -0.759 6.872 1.00 1.02 O ATOM 982 CB LYS A 62 16.643 -0.678 8.846 1.00 1.21 C ATOM 983 CG LYS A 62 16.252 -0.700 10.320 1.00 1.40 C ATOM 984 CD LYS A 62 15.126 0.276 10.637 1.00 2.00 C ATOM 985 CE LYS A 62 14.262 -0.217 11.794 1.00 2.34 C ATOM 986 NZ LYS A 62 13.243 -1.209 11.357 1.00 2.62 N ATOM 0 H LYS A 62 15.590 1.543 7.936 1.00 1.07 H new ATOM 0 HA LYS A 62 18.158 0.824 9.161 1.00 1.12 H new ATOM 0 HB2 LYS A 62 15.741 -0.771 8.241 1.00 1.21 H new ATOM 0 HB3 LYS A 62 17.262 -1.550 8.633 1.00 1.21 H new ATOM 0 HG2 LYS A 62 15.944 -1.708 10.596 1.00 1.40 H new ATOM 0 HG3 LYS A 62 17.123 -0.455 10.928 1.00 1.40 H new ATOM 0 HD2 LYS A 62 15.548 1.250 10.887 1.00 2.00 H new ATOM 0 HD3 LYS A 62 14.505 0.415 9.752 1.00 2.00 H new ATOM 0 HE2 LYS A 62 14.900 -0.667 12.555 1.00 2.34 H new ATOM 0 HE3 LYS A 62 13.762 0.633 12.259 1.00 2.34 H new ATOM 0 HZ1 LYS A 62 12.681 -1.514 12.177 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 12.616 -0.774 10.650 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 13.719 -2.033 10.937 1.00 2.62 H new ATOM 1000 N MET A 63 18.078 1.307 6.180 1.00 0.97 N ATOM 1001 CA MET A 63 18.742 1.205 4.873 1.00 0.94 C ATOM 1002 C MET A 63 18.105 0.137 3.959 1.00 0.80 C ATOM 1003 O MET A 63 18.753 -0.350 3.032 1.00 0.86 O ATOM 1004 CB MET A 63 20.253 0.923 5.049 1.00 1.12 C ATOM 1005 CG MET A 63 20.841 1.428 6.357 1.00 1.30 C ATOM 1006 SD MET A 63 22.634 1.607 6.291 1.00 2.18 S ATOM 1007 CE MET A 63 23.155 0.248 7.339 1.00 3.12 C ATOM 0 H MET A 63 17.608 2.198 6.336 1.00 0.97 H new ATOM 0 HA MET A 63 18.608 2.168 4.381 1.00 0.94 H new ATOM 0 HB2 MET A 63 20.419 -0.152 4.982 1.00 1.12 H new ATOM 0 HB3 MET A 63 20.794 1.381 4.221 1.00 1.12 H new ATOM 0 HG2 MET A 63 20.393 2.390 6.604 1.00 1.30 H new ATOM 0 HG3 MET A 63 20.578 0.738 7.159 1.00 1.30 H new ATOM 0 HE1 MET A 63 24.243 0.229 7.396 1.00 3.12 H new ATOM 0 HE2 MET A 63 22.742 0.381 8.339 1.00 3.12 H new ATOM 0 HE3 MET A 63 22.797 -0.692 6.920 1.00 3.12 H new ATOM 1017 N GLU A 64 16.843 -0.213 4.220 1.00 0.73 N ATOM 1018 CA GLU A 64 16.117 -1.204 3.419 1.00 0.64 C ATOM 1019 C GLU A 64 15.245 -0.507 2.374 1.00 0.52 C ATOM 1020 O GLU A 64 14.509 0.429 2.699 1.00 0.49 O ATOM 1021 CB GLU A 64 15.234 -2.082 4.324 1.00 0.70 C ATOM 1022 CG GLU A 64 16.005 -2.844 5.405 1.00 0.88 C ATOM 1023 CD GLU A 64 16.524 -4.187 4.937 1.00 1.35 C ATOM 1024 OE1 GLU A 64 15.761 -4.927 4.290 1.00 1.79 O ATOM 1025 OE2 GLU A 64 17.689 -4.510 5.232 1.00 2.03 O ATOM 0 H GLU A 64 16.298 0.179 4.988 1.00 0.73 H new ATOM 0 HA GLU A 64 16.847 -1.835 2.912 1.00 0.64 H new ATOM 0 HB2 GLU A 64 14.485 -1.452 4.804 1.00 0.70 H new ATOM 0 HB3 GLU A 64 14.697 -2.799 3.703 1.00 0.70 H new ATOM 0 HG2 GLU A 64 16.844 -2.235 5.740 1.00 0.88 H new ATOM 0 HG3 GLU A 64 15.355 -2.994 6.267 1.00 0.88 H new ATOM 1032 N MET A 65 15.329 -0.961 1.121 1.00 0.52 N ATOM 1033 CA MET A 65 14.521 -0.400 0.037 1.00 0.48 C ATOM 1034 C MET A 65 13.076 -0.874 0.154 1.00 0.43 C ATOM 1035 O MET A 65 12.768 -2.039 -0.112 1.00 0.62 O ATOM 1036 CB MET A 65 15.099 -0.796 -1.323 1.00 0.58 C ATOM 1037 CG MET A 65 16.388 -0.072 -1.666 1.00 0.71 C ATOM 1038 SD MET A 65 16.215 1.726 -1.673 1.00 1.38 S ATOM 1039 CE MET A 65 15.167 1.962 -3.111 1.00 1.18 C ATOM 0 H MET A 65 15.950 -1.717 0.832 1.00 0.52 H new ATOM 0 HA MET A 65 14.541 0.687 0.119 1.00 0.48 H new ATOM 0 HB2 MET A 65 15.281 -1.871 -1.333 1.00 0.58 H new ATOM 0 HB3 MET A 65 14.359 -0.591 -2.097 1.00 0.58 H new ATOM 0 HG2 MET A 65 17.157 -0.354 -0.947 1.00 0.71 H new ATOM 0 HG3 MET A 65 16.732 -0.401 -2.647 1.00 0.71 H new ATOM 0 HE1 MET A 65 15.129 3.022 -3.364 1.00 1.18 H new ATOM 0 HE2 MET A 65 15.574 1.402 -3.953 1.00 1.18 H new ATOM 0 HE3 MET A 65 14.161 1.606 -2.890 1.00 1.18 H new ATOM 1049 N VAL A 66 12.213 0.026 0.603 1.00 0.32 N ATOM 1050 CA VAL A 66 10.797 -0.275 0.808 1.00 0.28 C ATOM 1051 C VAL A 66 9.892 0.641 -0.019 1.00 0.25 C ATOM 1052 O VAL A 66 10.322 1.670 -0.540 1.00 0.30 O ATOM 1053 CB VAL A 66 10.408 -0.184 2.310 1.00 0.29 C ATOM 1054 CG1 VAL A 66 11.113 -1.277 3.109 1.00 0.32 C ATOM 1055 CG2 VAL A 66 10.728 1.195 2.890 1.00 0.31 C ATOM 0 H VAL A 66 12.471 0.985 0.836 1.00 0.32 H new ATOM 0 HA VAL A 66 10.646 -1.300 0.469 1.00 0.28 H new ATOM 0 HB VAL A 66 9.331 -0.332 2.385 1.00 0.29 H new ATOM 0 HG11 VAL A 66 10.830 -1.200 4.159 1.00 0.32 H new ATOM 0 HG12 VAL A 66 10.820 -2.254 2.725 1.00 0.32 H new ATOM 0 HG13 VAL A 66 12.192 -1.158 3.014 1.00 0.32 H new ATOM 0 HG21 VAL A 66 10.443 1.222 3.942 1.00 0.31 H new ATOM 0 HG22 VAL A 66 11.797 1.389 2.799 1.00 0.31 H new ATOM 0 HG23 VAL A 66 10.173 1.957 2.344 1.00 0.31 H new ATOM 1065 N TYR A 67 8.634 0.235 -0.136 1.00 0.23 N ATOM 1066 CA TYR A 67 7.609 0.997 -0.843 1.00 0.22 C ATOM 1067 C TYR A 67 7.100 2.147 0.027 1.00 0.23 C ATOM 1068 O TYR A 67 6.815 1.954 1.212 1.00 0.36 O ATOM 1069 CB TYR A 67 6.419 0.086 -1.204 1.00 0.22 C ATOM 1070 CG TYR A 67 6.523 -0.604 -2.547 1.00 0.20 C ATOM 1071 CD1 TYR A 67 6.908 0.095 -3.685 1.00 1.15 C ATOM 1072 CD2 TYR A 67 6.179 -1.944 -2.685 1.00 1.16 C ATOM 1073 CE1 TYR A 67 6.985 -0.528 -4.911 1.00 1.19 C ATOM 1074 CE2 TYR A 67 6.250 -2.579 -3.908 1.00 1.13 C ATOM 1075 CZ TYR A 67 6.650 -1.863 -5.021 1.00 0.26 C ATOM 1076 OH TYR A 67 6.727 -2.489 -6.244 1.00 0.32 O ATOM 0 H TYR A 67 8.292 -0.640 0.260 1.00 0.23 H new ATOM 0 HA TYR A 67 8.056 1.398 -1.753 1.00 0.22 H new ATOM 0 HB2 TYR A 67 6.315 -0.674 -0.430 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.507 0.683 -1.189 1.00 0.22 H new ATOM 0 HD1 TYR A 67 7.151 1.144 -3.607 1.00 1.15 H new ATOM 0 HD2 TYR A 67 5.850 -2.498 -1.819 1.00 1.16 H new ATOM 0 HE1 TYR A 67 7.306 0.025 -5.782 1.00 1.19 H new ATOM 0 HE2 TYR A 67 5.996 -3.625 -3.995 1.00 1.13 H new ATOM 0 HH TYR A 67 6.459 -3.427 -6.149 1.00 0.32 H new ATOM 1086 N CYS A 68 6.931 3.314 -0.584 1.00 0.17 N ATOM 1087 CA CYS A 68 6.391 4.488 0.098 1.00 0.17 C ATOM 1088 C CYS A 68 5.434 5.231 -0.825 1.00 0.20 C ATOM 1089 O CYS A 68 5.257 4.864 -1.989 1.00 0.27 O ATOM 1090 CB CYS A 68 7.521 5.419 0.565 1.00 0.16 C ATOM 1091 SG CYS A 68 7.009 6.693 1.741 1.00 1.61 S ATOM 0 H CYS A 68 7.163 3.475 -1.564 1.00 0.17 H new ATOM 0 HA CYS A 68 5.844 4.155 0.980 1.00 0.17 H new ATOM 0 HB2 CYS A 68 8.306 4.816 1.022 1.00 0.16 H new ATOM 0 HB3 CYS A 68 7.959 5.904 -0.308 1.00 0.16 H new ATOM 0 HG CYS A 68 8.037 7.418 2.070 1.00 1.61 H new ATOM 1097 N LEU A 69 4.790 6.254 -0.287 1.00 0.21 N ATOM 1098 CA LEU A 69 3.821 7.042 -1.038 1.00 0.25 C ATOM 1099 C LEU A 69 4.185 8.521 -0.992 1.00 0.30 C ATOM 1100 O LEU A 69 4.455 9.060 0.085 1.00 0.41 O ATOM 1101 CB LEU A 69 2.417 6.828 -0.459 1.00 0.36 C ATOM 1102 CG LEU A 69 1.284 6.848 -1.479 1.00 0.48 C ATOM 1103 CD1 LEU A 69 1.428 5.699 -2.473 1.00 0.61 C ATOM 1104 CD2 LEU A 69 -0.051 6.771 -0.766 1.00 0.94 C ATOM 0 H LEU A 69 4.922 6.562 0.677 1.00 0.21 H new ATOM 0 HA LEU A 69 3.834 6.715 -2.078 1.00 0.25 H new ATOM 0 HB2 LEU A 69 2.398 5.871 0.062 1.00 0.36 H new ATOM 0 HB3 LEU A 69 2.227 7.600 0.286 1.00 0.36 H new ATOM 0 HG LEU A 69 1.334 7.783 -2.038 1.00 0.48 H new ATOM 0 HD11 LEU A 69 0.608 5.734 -3.191 1.00 0.61 H new ATOM 0 HD12 LEU A 69 2.377 5.792 -3.001 1.00 0.61 H new ATOM 0 HD13 LEU A 69 1.402 4.750 -1.938 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.857 6.786 -1.500 1.00 0.94 H new ATOM 0 HD22 LEU A 69 -0.103 5.848 -0.189 1.00 0.94 H new ATOM 0 HD23 LEU A 69 -0.155 7.624 -0.096 1.00 0.94 H new ATOM 1116 N PRO A 70 4.147 9.217 -2.146 1.00 0.37 N ATOM 1117 CA PRO A 70 4.454 10.652 -2.205 1.00 0.51 C ATOM 1118 C PRO A 70 3.370 11.509 -1.532 1.00 0.71 C ATOM 1119 O PRO A 70 2.218 11.084 -1.386 1.00 1.00 O ATOM 1120 CB PRO A 70 4.529 10.943 -3.704 1.00 0.70 C ATOM 1121 CG PRO A 70 3.661 9.908 -4.328 1.00 0.64 C ATOM 1122 CD PRO A 70 3.820 8.672 -3.483 1.00 0.41 C ATOM 0 HA PRO A 70 5.373 10.895 -1.671 1.00 0.51 H new ATOM 0 HB2 PRO A 70 4.174 11.948 -3.931 1.00 0.70 H new ATOM 0 HB3 PRO A 70 5.553 10.876 -4.071 1.00 0.70 H new ATOM 0 HG2 PRO A 70 2.621 10.233 -4.352 1.00 0.64 H new ATOM 0 HG3 PRO A 70 3.960 9.718 -5.359 1.00 0.64 H new ATOM 0 HD2 PRO A 70 2.907 8.077 -3.463 1.00 0.41 H new ATOM 0 HD3 PRO A 70 4.613 8.026 -3.860 1.00 0.41 H new ATOM 1130 N ALA A 71 3.751 12.722 -1.153 1.00 0.96 N ATOM 1131 CA ALA A 71 2.857 13.653 -0.463 1.00 1.23 C ATOM 1132 C ALA A 71 1.749 14.188 -1.379 1.00 1.34 C ATOM 1133 O ALA A 71 2.012 15.009 -2.260 1.00 1.89 O ATOM 1134 CB ALA A 71 3.670 14.813 0.090 1.00 1.66 C ATOM 0 H ALA A 71 4.688 13.092 -1.314 1.00 0.96 H new ATOM 0 HA ALA A 71 2.371 13.107 0.346 1.00 1.23 H new ATOM 0 HB1 ALA A 71 3.008 15.509 0.605 1.00 1.66 H new ATOM 0 HB2 ALA A 71 4.414 14.434 0.791 1.00 1.66 H new ATOM 0 HB3 ALA A 71 4.172 15.328 -0.729 1.00 1.66 H new ATOM 1140 N GLU A 72 0.513 13.741 -1.132 1.00 1.48 N ATOM 1141 CA GLU A 72 -0.674 14.201 -1.865 1.00 1.76 C ATOM 1142 C GLU A 72 -0.540 14.032 -3.389 1.00 1.89 C ATOM 1143 O GLU A 72 -0.383 15.017 -4.118 1.00 2.17 O ATOM 1144 CB GLU A 72 -0.985 15.672 -1.518 1.00 2.19 C ATOM 1145 CG GLU A 72 -1.549 15.880 -0.112 1.00 2.59 C ATOM 1146 CD GLU A 72 -0.501 15.776 0.980 1.00 3.17 C ATOM 1147 OE1 GLU A 72 0.499 16.517 0.921 1.00 3.75 O ATOM 1148 OE2 GLU A 72 -0.679 14.948 1.896 1.00 3.59 O ATOM 0 H GLU A 72 0.306 13.046 -0.414 1.00 1.48 H new ATOM 0 HA GLU A 72 -1.502 13.568 -1.547 1.00 1.76 H new ATOM 0 HB2 GLU A 72 -0.072 16.258 -1.621 1.00 2.19 H new ATOM 0 HB3 GLU A 72 -1.698 16.062 -2.244 1.00 2.19 H new ATOM 0 HG2 GLU A 72 -2.021 16.861 -0.060 1.00 2.59 H new ATOM 0 HG3 GLU A 72 -2.329 15.141 0.072 1.00 2.59 H new ATOM 1155 N LEU A 73 -0.633 12.785 -3.863 1.00 2.03 N ATOM 1156 CA LEU A 73 -0.590 12.485 -5.303 1.00 2.45 C ATOM 1157 C LEU A 73 -1.982 12.055 -5.774 1.00 3.07 C ATOM 1158 O LEU A 73 -2.382 10.899 -5.598 1.00 3.39 O ATOM 1159 CB LEU A 73 0.448 11.392 -5.609 1.00 2.45 C ATOM 1160 CG LEU A 73 0.659 11.080 -7.105 1.00 2.84 C ATOM 1161 CD1 LEU A 73 1.414 12.207 -7.795 1.00 3.20 C ATOM 1162 CD2 LEU A 73 1.402 9.759 -7.285 1.00 3.46 C ATOM 0 H LEU A 73 -0.739 11.962 -3.270 1.00 2.03 H new ATOM 0 HA LEU A 73 -0.289 13.384 -5.842 1.00 2.45 H new ATOM 0 HB2 LEU A 73 1.404 11.692 -5.180 1.00 2.45 H new ATOM 0 HB3 LEU A 73 0.145 10.475 -5.103 1.00 2.45 H new ATOM 0 HG LEU A 73 -0.324 10.990 -7.568 1.00 2.84 H new ATOM 0 HD11 LEU A 73 1.550 11.962 -8.848 1.00 3.20 H new ATOM 0 HD12 LEU A 73 0.845 13.133 -7.708 1.00 3.20 H new ATOM 0 HD13 LEU A 73 2.389 12.334 -7.324 1.00 3.20 H new ATOM 0 HD21 LEU A 73 1.539 9.560 -8.348 1.00 3.46 H new ATOM 0 HD22 LEU A 73 2.376 9.820 -6.799 1.00 3.46 H new ATOM 0 HD23 LEU A 73 0.823 8.952 -6.837 1.00 3.46 H new ATOM 1174 N GLY A 74 -2.731 13.008 -6.328 1.00 3.54 N ATOM 1175 CA GLY A 74 -4.092 12.750 -6.780 1.00 4.27 C ATOM 1176 C GLY A 74 -5.114 13.409 -5.871 1.00 4.79 C ATOM 1177 O GLY A 74 -5.545 12.806 -4.882 1.00 5.47 O ATOM 0 H GLY A 74 -2.415 13.967 -6.473 1.00 3.54 H new ATOM 0 HA2 GLY A 74 -4.215 13.121 -7.797 1.00 4.27 H new ATOM 0 HA3 GLY A 74 -4.269 11.675 -6.809 1.00 4.27 H new ATOM 1181 N VAL A 75 -5.462 14.666 -6.181 1.00 4.77 N ATOM 1182 CA VAL A 75 -6.414 15.460 -5.387 1.00 5.51 C ATOM 1183 C VAL A 75 -5.777 15.909 -4.056 1.00 5.62 C ATOM 1184 O VAL A 75 -5.787 15.171 -3.066 1.00 5.34 O ATOM 1185 CB VAL A 75 -7.743 14.711 -5.113 1.00 5.98 C ATOM 1186 CG1 VAL A 75 -8.825 15.678 -4.636 1.00 6.16 C ATOM 1187 CG2 VAL A 75 -8.214 13.955 -6.356 1.00 6.50 C ATOM 0 H VAL A 75 -5.091 15.163 -6.991 1.00 4.77 H new ATOM 0 HA VAL A 75 -6.656 16.337 -5.987 1.00 5.51 H new ATOM 0 HB VAL A 75 -7.557 13.985 -4.322 1.00 5.98 H new ATOM 0 HG11 VAL A 75 -9.748 15.129 -4.450 1.00 6.16 H new ATOM 0 HG12 VAL A 75 -8.500 16.162 -3.715 1.00 6.16 H new ATOM 0 HG13 VAL A 75 -9.000 16.434 -5.401 1.00 6.16 H new ATOM 0 HG21 VAL A 75 -9.148 13.439 -6.136 1.00 6.50 H new ATOM 0 HG22 VAL A 75 -8.373 14.660 -7.172 1.00 6.50 H new ATOM 0 HG23 VAL A 75 -7.457 13.227 -6.648 1.00 6.50 H new ATOM 1197 N PRO A 76 -5.192 17.125 -4.030 1.00 6.42 N ATOM 1198 CA PRO A 76 -4.519 17.677 -2.842 1.00 6.97 C ATOM 1199 C PRO A 76 -5.506 18.065 -1.733 1.00 7.29 C ATOM 1200 O PRO A 76 -6.367 18.925 -1.928 1.00 7.83 O ATOM 1201 CB PRO A 76 -3.779 18.923 -3.377 1.00 7.90 C ATOM 1202 CG PRO A 76 -3.862 18.833 -4.866 1.00 8.03 C ATOM 1203 CD PRO A 76 -5.105 18.044 -5.171 1.00 7.16 C ATOM 0 HA PRO A 76 -3.855 16.945 -2.382 1.00 6.97 H new ATOM 0 HB2 PRO A 76 -4.243 19.840 -3.014 1.00 7.90 H new ATOM 0 HB3 PRO A 76 -2.742 18.936 -3.043 1.00 7.90 H new ATOM 0 HG2 PRO A 76 -3.912 19.826 -5.314 1.00 8.03 H new ATOM 0 HG3 PRO A 76 -2.979 18.342 -5.276 1.00 8.03 H new ATOM 0 HD2 PRO A 76 -5.984 18.685 -5.243 1.00 7.16 H new ATOM 0 HD3 PRO A 76 -5.023 17.509 -6.117 1.00 7.16 H new ATOM 1211 N THR A 77 -5.372 17.416 -0.581 1.00 7.25 N ATOM 1212 CA THR A 77 -6.230 17.674 0.576 1.00 7.86 C ATOM 1213 C THR A 77 -5.655 16.956 1.808 1.00 8.48 C ATOM 1214 O THR A 77 -4.498 16.514 1.794 1.00 8.73 O ATOM 1215 CB THR A 77 -7.687 17.216 0.279 1.00 7.90 C ATOM 1216 OG1 THR A 77 -8.575 17.612 1.322 1.00 8.72 O ATOM 1217 CG2 THR A 77 -7.850 15.710 0.081 1.00 7.87 C ATOM 0 H THR A 77 -4.667 16.697 -0.421 1.00 7.25 H new ATOM 0 HA THR A 77 -6.257 18.744 0.782 1.00 7.86 H new ATOM 0 HB THR A 77 -7.933 17.707 -0.662 1.00 7.90 H new ATOM 0 HG1 THR A 77 -9.484 17.313 1.109 1.00 8.72 H new ATOM 0 HG21 THR A 77 -8.896 15.481 -0.121 1.00 7.87 H new ATOM 0 HG22 THR A 77 -7.238 15.385 -0.761 1.00 7.87 H new ATOM 0 HG23 THR A 77 -7.532 15.188 0.983 1.00 7.87 H new ATOM 1225 N THR A 78 -6.444 16.872 2.875 1.00 9.01 N ATOM 1226 CA THR A 78 -6.029 16.187 4.098 1.00 9.88 C ATOM 1227 C THR A 78 -6.457 14.715 4.045 1.00 10.40 C ATOM 1228 O THR A 78 -7.659 14.448 3.845 1.00 10.57 O ATOM 1229 CB THR A 78 -6.608 16.893 5.338 1.00 10.27 C ATOM 1230 OG1 THR A 78 -7.999 17.153 5.188 1.00 10.30 O ATOM 1231 CG2 THR A 78 -5.928 18.213 5.648 1.00 10.39 C ATOM 1232 OXT THR A 78 -5.574 13.842 4.123 1.00 10.83 O ATOM 0 H THR A 78 -7.381 17.272 2.918 1.00 9.01 H new ATOM 0 HA THR A 78 -4.942 16.225 4.174 1.00 9.88 H new ATOM 0 HB THR A 78 -6.430 16.201 6.161 1.00 10.27 H new ATOM 0 HG1 THR A 78 -8.421 16.409 4.710 1.00 10.30 H new ATOM 0 HG21 THR A 78 -6.383 18.658 6.533 1.00 10.39 H new ATOM 0 HG22 THR A 78 -4.868 18.041 5.833 1.00 10.39 H new ATOM 0 HG23 THR A 78 -6.044 18.890 4.801 1.00 10.39 H new TER 1240 THR A 78