USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=22 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 Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0161) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0188) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -103:sc= 2.45 USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= -0.0765 (180deg=-0.297) USER MOD Single : A 7 GLN : amide:sc= -0.0511 K(o=-0.051,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= -0.419 (180deg=-1.09!) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= -0.251 (180deg=-0.888) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0602 USER MOD Single : A 25 SER OG : rot 180:sc= -0.255 USER MOD Single : A 26 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.8) USER MOD Single : A 34 GLN : amide:sc= 0.256 K(o=0.26,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 42 ASN : amide:sc= 0.279 K(o=0.28,f=-3.2!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= -3.94! (180deg=-4.15!) USER MOD Single : A 47 SER OG : rot -19:sc= 0.346 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 71:sc= 0.575 USER MOD Single : A 52 LYS NZ :NH3+ -113:sc= 0.712 (180deg=-0.187) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 60 ASN : amide:sc= 0.253 K(o=0.25,f=-6.3!) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.143 (180deg=-0.352) USER MOD Single : A 63 MET CE :methyl -129:sc= 0 (180deg=-0.0316) USER MOD Single : A 65 MET CE :methyl 146:sc= -0.334 (180deg=-1.24) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0.141 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.154 -3.695 16.781 1.00 10.84 N ATOM 2 CA MET A 1 -13.305 -3.201 15.668 1.00 10.16 C ATOM 3 C MET A 1 -13.949 -3.509 14.314 1.00 9.27 C ATOM 4 O MET A 1 -13.993 -4.668 13.888 1.00 9.22 O ATOM 5 CB MET A 1 -11.918 -3.865 15.751 1.00 10.59 C ATOM 6 CG MET A 1 -11.142 -3.528 17.018 1.00 11.48 C ATOM 7 SD MET A 1 -9.348 -3.587 16.776 1.00 11.94 S ATOM 8 CE MET A 1 -9.108 -5.315 16.386 1.00 12.56 C ATOM 0 H1 MET A 1 -13.750 -3.387 17.689 1.00 10.84 H new ATOM 0 H2 MET A 1 -15.115 -3.311 16.681 1.00 10.84 H new ATOM 0 H3 MET A 1 -14.192 -4.734 16.754 1.00 10.84 H new ATOM 0 HA MET A 1 -13.202 -2.120 15.759 1.00 10.16 H new ATOM 0 HB2 MET A 1 -12.040 -4.946 15.690 1.00 10.59 H new ATOM 0 HB3 MET A 1 -11.329 -3.561 14.885 1.00 10.59 H new ATOM 0 HG2 MET A 1 -11.426 -2.532 17.359 1.00 11.48 H new ATOM 0 HG3 MET A 1 -11.421 -4.227 17.807 1.00 11.48 H new ATOM 0 HE1 MET A 1 -8.044 -5.516 16.263 1.00 12.56 H new ATOM 0 HE2 MET A 1 -9.502 -5.929 17.196 1.00 12.56 H new ATOM 0 HE3 MET A 1 -9.632 -5.555 15.461 1.00 12.56 H new ATOM 20 N ARG A 2 -14.420 -2.465 13.629 1.00 8.82 N ATOM 21 CA ARG A 2 -15.031 -2.609 12.301 1.00 8.17 C ATOM 22 C ARG A 2 -13.962 -2.521 11.212 1.00 7.58 C ATOM 23 O ARG A 2 -13.962 -1.602 10.388 1.00 7.72 O ATOM 24 CB ARG A 2 -16.098 -1.528 12.094 1.00 8.58 C ATOM 25 CG ARG A 2 -17.340 -1.707 12.963 1.00 9.29 C ATOM 26 CD ARG A 2 -18.200 -2.874 12.486 1.00 9.46 C ATOM 27 NE ARG A 2 -17.776 -4.149 13.080 1.00 9.75 N ATOM 28 CZ ARG A 2 -17.942 -5.344 12.498 1.00 10.18 C ATOM 29 NH1 ARG A 2 -18.490 -5.429 11.293 1.00 10.36 N ATOM 30 NH2 ARG A 2 -17.522 -6.439 13.112 1.00 10.67 N ATOM 0 H ARG A 2 -14.391 -1.505 13.972 1.00 8.82 H new ATOM 0 HA ARG A 2 -15.507 -3.587 12.237 1.00 8.17 H new ATOM 0 HB2 ARG A 2 -15.658 -0.553 12.303 1.00 8.58 H new ATOM 0 HB3 ARG A 2 -16.398 -1.524 11.046 1.00 8.58 H new ATOM 0 HG2 ARG A 2 -17.039 -1.876 13.997 1.00 9.29 H new ATOM 0 HG3 ARG A 2 -17.930 -0.790 12.948 1.00 9.29 H new ATOM 0 HD2 ARG A 2 -19.243 -2.684 12.741 1.00 9.46 H new ATOM 0 HD3 ARG A 2 -18.145 -2.944 11.400 1.00 9.46 H new ATOM 0 HE ARG A 2 -17.326 -4.123 13.995 1.00 9.75 H new ATOM 0 HH11 ARG A 2 -18.786 -4.583 10.807 1.00 10.36 H new ATOM 0 HH12 ARG A 2 -18.615 -6.341 10.853 1.00 10.36 H new ATOM 0 HH21 ARG A 2 -17.073 -6.371 14.026 1.00 10.67 H new ATOM 0 HH22 ARG A 2 -17.647 -7.350 12.672 1.00 10.67 H new ATOM 44 N SER A 3 -13.051 -3.484 11.231 1.00 7.20 N ATOM 45 CA SER A 3 -11.941 -3.546 10.281 1.00 6.89 C ATOM 46 C SER A 3 -12.421 -4.003 8.898 1.00 5.94 C ATOM 47 O SER A 3 -12.853 -5.145 8.726 1.00 6.02 O ATOM 48 CB SER A 3 -10.850 -4.494 10.808 1.00 7.63 C ATOM 49 OG SER A 3 -10.663 -4.335 12.210 1.00 8.43 O ATOM 0 H SER A 3 -13.058 -4.248 11.907 1.00 7.20 H new ATOM 0 HA SER A 3 -11.524 -2.544 10.177 1.00 6.89 H new ATOM 0 HB2 SER A 3 -11.125 -5.526 10.590 1.00 7.63 H new ATOM 0 HB3 SER A 3 -9.912 -4.297 10.289 1.00 7.63 H new ATOM 0 HG SER A 3 -9.966 -4.950 12.519 1.00 8.43 H new ATOM 55 N SER A 4 -12.363 -3.086 7.928 1.00 5.38 N ATOM 56 CA SER A 4 -12.773 -3.360 6.543 1.00 4.74 C ATOM 57 C SER A 4 -14.294 -3.566 6.428 1.00 4.08 C ATOM 58 O SER A 4 -14.756 -4.511 5.782 1.00 4.43 O ATOM 59 CB SER A 4 -12.011 -4.575 5.975 1.00 5.40 C ATOM 60 OG SER A 4 -10.636 -4.548 6.345 1.00 6.32 O ATOM 0 H SER A 4 -12.031 -2.133 8.078 1.00 5.38 H new ATOM 0 HA SER A 4 -12.516 -2.484 5.948 1.00 4.74 H new ATOM 0 HB2 SER A 4 -12.469 -5.495 6.338 1.00 5.40 H new ATOM 0 HB3 SER A 4 -12.096 -4.584 4.888 1.00 5.40 H new ATOM 0 HG SER A 4 -10.098 -4.250 5.582 1.00 6.32 H new ATOM 66 N ALA A 5 -15.065 -2.657 7.038 1.00 3.63 N ATOM 67 CA ALA A 5 -16.534 -2.701 6.966 1.00 3.45 C ATOM 68 C ALA A 5 -17.006 -2.219 5.595 1.00 2.57 C ATOM 69 O ALA A 5 -17.525 -2.999 4.796 1.00 2.77 O ATOM 70 CB ALA A 5 -17.158 -1.865 8.084 1.00 4.25 C ATOM 0 H ALA A 5 -14.697 -1.881 7.588 1.00 3.63 H new ATOM 0 HA ALA A 5 -16.859 -3.732 7.101 1.00 3.45 H new ATOM 0 HB1 ALA A 5 -18.244 -1.912 8.011 1.00 4.25 H new ATOM 0 HB2 ALA A 5 -16.842 -2.257 9.051 1.00 4.25 H new ATOM 0 HB3 ALA A 5 -16.833 -0.829 7.988 1.00 4.25 H new ATOM 76 N LYS A 6 -16.778 -0.937 5.314 1.00 2.17 N ATOM 77 CA LYS A 6 -17.066 -0.363 3.999 1.00 1.92 C ATOM 78 C LYS A 6 -15.836 -0.547 3.104 1.00 1.64 C ATOM 79 O LYS A 6 -14.715 -0.647 3.607 1.00 2.32 O ATOM 80 CB LYS A 6 -17.423 1.128 4.124 1.00 2.86 C ATOM 81 CG LYS A 6 -18.607 1.413 5.051 1.00 3.45 C ATOM 82 CD LYS A 6 -18.739 2.905 5.358 1.00 4.36 C ATOM 83 CE LYS A 6 -19.048 3.727 4.110 1.00 5.20 C ATOM 84 NZ LYS A 6 -20.251 3.229 3.393 1.00 5.61 N ATOM 0 H LYS A 6 -16.392 -0.272 5.984 1.00 2.17 H new ATOM 0 HA LYS A 6 -17.922 -0.873 3.557 1.00 1.92 H new ATOM 0 HB2 LYS A 6 -16.551 1.670 4.490 1.00 2.86 H new ATOM 0 HB3 LYS A 6 -17.649 1.520 3.133 1.00 2.86 H new ATOM 0 HG2 LYS A 6 -19.526 1.054 4.588 1.00 3.45 H new ATOM 0 HG3 LYS A 6 -18.482 0.860 5.982 1.00 3.45 H new ATOM 0 HD2 LYS A 6 -19.529 3.054 6.094 1.00 4.36 H new ATOM 0 HD3 LYS A 6 -17.813 3.265 5.807 1.00 4.36 H new ATOM 0 HE2 LYS A 6 -19.201 4.769 4.392 1.00 5.20 H new ATOM 0 HE3 LYS A 6 -18.190 3.701 3.438 1.00 5.20 H new ATOM 0 HZ1 LYS A 6 -20.542 3.926 2.678 1.00 5.61 H new ATOM 0 HZ2 LYS A 6 -20.028 2.327 2.926 1.00 5.61 H new ATOM 0 HZ3 LYS A 6 -21.025 3.085 4.072 1.00 5.61 H new ATOM 98 N GLN A 7 -16.028 -0.600 1.786 1.00 1.12 N ATOM 99 CA GLN A 7 -14.898 -0.829 0.869 1.00 0.87 C ATOM 100 C GLN A 7 -14.013 0.412 0.688 1.00 0.74 C ATOM 101 O GLN A 7 -12.892 0.303 0.184 1.00 0.75 O ATOM 102 CB GLN A 7 -15.357 -1.346 -0.494 1.00 1.05 C ATOM 103 CG GLN A 7 -14.330 -2.286 -1.127 1.00 1.31 C ATOM 104 CD GLN A 7 -14.294 -3.667 -0.477 1.00 1.15 C ATOM 105 OE1 GLN A 7 -15.211 -4.050 0.251 1.00 1.76 O ATOM 106 NE2 GLN A 7 -13.222 -4.411 -0.716 1.00 1.09 N ATOM 0 H GLN A 7 -16.934 -0.491 1.331 1.00 1.12 H new ATOM 0 HA GLN A 7 -14.293 -1.600 1.346 1.00 0.87 H new ATOM 0 HB2 GLN A 7 -16.307 -1.869 -0.382 1.00 1.05 H new ATOM 0 HB3 GLN A 7 -15.535 -0.502 -1.160 1.00 1.05 H new ATOM 0 HG2 GLN A 7 -14.555 -2.397 -2.188 1.00 1.31 H new ATOM 0 HG3 GLN A 7 -13.341 -1.833 -1.056 1.00 1.31 H new ATOM 0 HE21 GLN A 7 -12.483 -4.060 -1.325 1.00 1.09 H new ATOM 0 HE22 GLN A 7 -13.137 -5.334 -0.291 1.00 1.09 H new ATOM 115 N GLU A 8 -14.486 1.583 1.121 1.00 0.74 N ATOM 116 CA GLU A 8 -13.675 2.808 1.063 1.00 0.76 C ATOM 117 C GLU A 8 -12.691 2.863 2.245 1.00 0.68 C ATOM 118 O GLU A 8 -12.383 3.934 2.767 1.00 0.98 O ATOM 119 CB GLU A 8 -14.573 4.050 1.034 1.00 0.92 C ATOM 120 CG GLU A 8 -15.736 4.018 2.020 1.00 1.50 C ATOM 121 CD GLU A 8 -16.347 5.386 2.227 1.00 1.93 C ATOM 122 OE1 GLU A 8 -16.434 6.150 1.244 1.00 2.24 O ATOM 123 OE2 GLU A 8 -16.682 5.722 3.379 1.00 2.61 O ATOM 0 H GLU A 8 -15.419 1.712 1.513 1.00 0.74 H new ATOM 0 HA GLU A 8 -13.093 2.793 0.141 1.00 0.76 H new ATOM 0 HB2 GLU A 8 -13.962 4.928 1.242 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -14.972 4.170 0.027 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -16.500 3.332 1.655 1.00 1.50 H new ATOM 0 HG3 GLU A 8 -15.388 3.629 2.977 1.00 1.50 H new ATOM 130 N GLU A 9 -12.213 1.687 2.647 1.00 0.41 N ATOM 131 CA GLU A 9 -11.237 1.540 3.737 1.00 0.38 C ATOM 132 C GLU A 9 -9.951 0.902 3.203 1.00 0.34 C ATOM 133 O GLU A 9 -8.851 1.316 3.572 1.00 0.43 O ATOM 134 CB GLU A 9 -11.822 0.711 4.895 1.00 0.42 C ATOM 135 CG GLU A 9 -12.682 1.535 5.851 1.00 0.62 C ATOM 136 CD GLU A 9 -13.742 0.724 6.576 1.00 1.46 C ATOM 137 OE1 GLU A 9 -13.388 -0.281 7.223 1.00 2.23 O ATOM 138 OE2 GLU A 9 -14.923 1.132 6.556 1.00 2.19 O ATOM 0 H GLU A 9 -12.491 0.800 2.226 1.00 0.41 H new ATOM 0 HA GLU A 9 -11.001 2.530 4.128 1.00 0.38 H new ATOM 0 HB2 GLU A 9 -12.422 -0.101 4.485 1.00 0.42 H new ATOM 0 HB3 GLU A 9 -11.006 0.253 5.454 1.00 0.42 H new ATOM 0 HG2 GLU A 9 -12.035 2.011 6.588 1.00 0.62 H new ATOM 0 HG3 GLU A 9 -13.169 2.333 5.291 1.00 0.62 H new ATOM 145 N LEU A 10 -10.109 -0.029 2.247 1.00 0.28 N ATOM 146 CA LEU A 10 -8.987 -0.703 1.564 1.00 0.29 C ATOM 147 C LEU A 10 -7.965 0.314 1.034 1.00 0.26 C ATOM 148 O LEU A 10 -6.769 0.034 0.973 1.00 0.30 O ATOM 149 CB LEU A 10 -9.547 -1.562 0.412 1.00 0.35 C ATOM 150 CG LEU A 10 -8.529 -2.372 -0.412 1.00 0.35 C ATOM 151 CD1 LEU A 10 -7.577 -3.146 0.498 1.00 0.60 C ATOM 152 CD2 LEU A 10 -9.263 -3.323 -1.356 1.00 1.01 C ATOM 0 H LEU A 10 -11.025 -0.339 1.923 1.00 0.28 H new ATOM 0 HA LEU A 10 -8.467 -1.341 2.279 1.00 0.29 H new ATOM 0 HB2 LEU A 10 -10.275 -2.257 0.830 1.00 0.35 H new ATOM 0 HB3 LEU A 10 -10.088 -0.905 -0.269 1.00 0.35 H new ATOM 0 HG LEU A 10 -7.932 -1.677 -1.003 1.00 0.35 H new ATOM 0 HD11 LEU A 10 -6.869 -3.709 -0.110 1.00 0.60 H new ATOM 0 HD12 LEU A 10 -7.033 -2.448 1.134 1.00 0.60 H new ATOM 0 HD13 LEU A 10 -8.148 -3.835 1.121 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -8.537 -3.893 -1.936 1.00 1.01 H new ATOM 0 HD22 LEU A 10 -9.881 -4.008 -0.775 1.00 1.01 H new ATOM 0 HD23 LEU A 10 -9.896 -2.748 -2.032 1.00 1.01 H new ATOM 164 N VAL A 11 -8.456 1.512 0.703 1.00 0.26 N ATOM 165 CA VAL A 11 -7.613 2.614 0.246 1.00 0.29 C ATOM 166 C VAL A 11 -6.827 3.239 1.412 1.00 0.29 C ATOM 167 O VAL A 11 -5.619 3.406 1.312 1.00 0.37 O ATOM 168 CB VAL A 11 -8.466 3.709 -0.453 1.00 0.36 C ATOM 169 CG1 VAL A 11 -7.612 4.911 -0.860 1.00 0.43 C ATOM 170 CG2 VAL A 11 -9.196 3.136 -1.663 1.00 0.49 C ATOM 0 H VAL A 11 -9.449 1.742 0.745 1.00 0.26 H new ATOM 0 HA VAL A 11 -6.903 2.202 -0.471 1.00 0.29 H new ATOM 0 HB VAL A 11 -9.207 4.056 0.266 1.00 0.36 H new ATOM 0 HG11 VAL A 11 -8.241 5.657 -1.346 1.00 0.43 H new ATOM 0 HG12 VAL A 11 -7.151 5.347 0.027 1.00 0.43 H new ATOM 0 HG13 VAL A 11 -6.834 4.587 -1.551 1.00 0.43 H new ATOM 0 HG21 VAL A 11 -9.787 3.920 -2.137 1.00 0.49 H new ATOM 0 HG22 VAL A 11 -8.469 2.748 -2.377 1.00 0.49 H new ATOM 0 HG23 VAL A 11 -9.855 2.329 -1.342 1.00 0.49 H new ATOM 180 N LYS A 12 -7.509 3.573 2.523 1.00 0.26 N ATOM 181 CA LYS A 12 -6.834 4.172 3.692 1.00 0.30 C ATOM 182 C LYS A 12 -5.756 3.233 4.248 1.00 0.27 C ATOM 183 O LYS A 12 -4.653 3.673 4.581 1.00 0.32 O ATOM 184 CB LYS A 12 -7.836 4.531 4.800 1.00 0.38 C ATOM 185 CG LYS A 12 -8.676 5.768 4.487 1.00 1.15 C ATOM 186 CD LYS A 12 -10.064 5.389 3.994 1.00 2.01 C ATOM 187 CE LYS A 12 -11.097 5.427 5.122 1.00 2.92 C ATOM 188 NZ LYS A 12 -11.823 6.724 5.173 1.00 3.46 N ATOM 0 H LYS A 12 -8.514 3.441 2.637 1.00 0.26 H new ATOM 0 HA LYS A 12 -6.358 5.091 3.350 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.501 3.683 4.966 1.00 0.38 H new ATOM 0 HB3 LYS A 12 -7.292 4.697 5.730 1.00 0.38 H new ATOM 0 HG2 LYS A 12 -8.762 6.386 5.381 1.00 1.15 H new ATOM 0 HG3 LYS A 12 -8.172 6.370 3.731 1.00 1.15 H new ATOM 0 HD2 LYS A 12 -10.367 6.072 3.200 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -10.036 4.389 3.561 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -11.813 4.617 4.985 1.00 2.92 H new ATOM 0 HE3 LYS A 12 -10.598 5.254 6.076 1.00 2.92 H new ATOM 0 HZ1 LYS A 12 -12.512 6.706 5.951 1.00 3.46 H new ATOM 0 HZ2 LYS A 12 -11.144 7.496 5.330 1.00 3.46 H new ATOM 0 HZ3 LYS A 12 -12.321 6.879 4.273 1.00 3.46 H new ATOM 202 N ALA A 13 -6.074 1.934 4.290 1.00 0.25 N ATOM 203 CA ALA A 13 -5.131 0.909 4.749 1.00 0.26 C ATOM 204 C ALA A 13 -3.924 0.799 3.801 1.00 0.22 C ATOM 205 O ALA A 13 -2.785 0.737 4.252 1.00 0.22 O ATOM 206 CB ALA A 13 -5.833 -0.443 4.883 1.00 0.30 C ATOM 0 H ALA A 13 -6.983 1.567 4.010 1.00 0.25 H new ATOM 0 HA ALA A 13 -4.761 1.208 5.730 1.00 0.26 H new ATOM 0 HB1 ALA A 13 -5.118 -1.192 5.225 1.00 0.30 H new ATOM 0 HB2 ALA A 13 -6.646 -0.361 5.605 1.00 0.30 H new ATOM 0 HB3 ALA A 13 -6.236 -0.741 3.915 1.00 0.30 H new ATOM 212 N PHE A 14 -4.189 0.814 2.486 1.00 0.21 N ATOM 213 CA PHE A 14 -3.129 0.726 1.468 1.00 0.19 C ATOM 214 C PHE A 14 -2.115 1.875 1.610 1.00 0.17 C ATOM 215 O PHE A 14 -0.937 1.645 1.902 1.00 0.21 O ATOM 216 CB PHE A 14 -3.738 0.726 0.051 1.00 0.19 C ATOM 217 CG PHE A 14 -2.783 0.216 -0.991 1.00 0.17 C ATOM 218 CD1 PHE A 14 -2.604 -1.149 -1.177 1.00 1.16 C ATOM 219 CD2 PHE A 14 -2.035 1.095 -1.756 1.00 1.22 C ATOM 220 CE1 PHE A 14 -1.716 -1.619 -2.122 1.00 1.17 C ATOM 221 CE2 PHE A 14 -1.142 0.626 -2.699 1.00 1.21 C ATOM 222 CZ PHE A 14 -0.981 -0.730 -2.879 1.00 0.16 C ATOM 0 H PHE A 14 -5.131 0.886 2.101 1.00 0.21 H new ATOM 0 HA PHE A 14 -2.598 -0.213 1.625 1.00 0.19 H new ATOM 0 HB2 PHE A 14 -4.637 0.110 0.046 1.00 0.19 H new ATOM 0 HB3 PHE A 14 -4.045 1.739 -0.208 1.00 0.19 H new ATOM 0 HD1 PHE A 14 -3.166 -1.849 -0.576 1.00 1.16 H new ATOM 0 HD2 PHE A 14 -2.151 2.159 -1.614 1.00 1.22 H new ATOM 0 HE1 PHE A 14 -1.596 -2.682 -2.269 1.00 1.17 H new ATOM 0 HE2 PHE A 14 -0.570 1.322 -3.295 1.00 1.21 H new ATOM 0 HZ PHE A 14 -0.279 -1.098 -3.613 1.00 0.16 H new ATOM 232 N LYS A 15 -2.605 3.110 1.459 1.00 0.17 N ATOM 233 CA LYS A 15 -1.787 4.323 1.563 1.00 0.17 C ATOM 234 C LYS A 15 -1.006 4.394 2.886 1.00 0.14 C ATOM 235 O LYS A 15 0.162 4.777 2.902 1.00 0.14 O ATOM 236 CB LYS A 15 -2.695 5.562 1.427 1.00 0.25 C ATOM 237 CG LYS A 15 -3.734 5.452 0.305 1.00 0.64 C ATOM 238 CD LYS A 15 -3.175 5.906 -1.032 1.00 0.58 C ATOM 239 CE LYS A 15 -3.583 7.338 -1.402 1.00 0.82 C ATOM 240 NZ LYS A 15 -3.825 8.202 -0.213 1.00 0.93 N ATOM 0 H LYS A 15 -3.588 3.297 1.260 1.00 0.17 H new ATOM 0 HA LYS A 15 -1.053 4.297 0.757 1.00 0.17 H new ATOM 0 HB2 LYS A 15 -3.212 5.727 2.372 1.00 0.25 H new ATOM 0 HB3 LYS A 15 -2.072 6.438 1.247 1.00 0.25 H new ATOM 0 HG2 LYS A 15 -4.073 4.419 0.225 1.00 0.64 H new ATOM 0 HG3 LYS A 15 -4.606 6.055 0.557 1.00 0.64 H new ATOM 0 HD2 LYS A 15 -2.087 5.840 -1.005 1.00 0.58 H new ATOM 0 HD3 LYS A 15 -3.516 5.225 -1.812 1.00 0.58 H new ATOM 0 HE2 LYS A 15 -2.801 7.785 -2.016 1.00 0.82 H new ATOM 0 HE3 LYS A 15 -4.487 7.306 -2.011 1.00 0.82 H new ATOM 0 HZ1 LYS A 15 -3.761 9.202 -0.492 1.00 0.93 H new ATOM 0 HZ2 LYS A 15 -4.773 8.009 0.169 1.00 0.93 H new ATOM 0 HZ3 LYS A 15 -3.110 7.999 0.515 1.00 0.93 H new ATOM 254 N ALA A 16 -1.664 4.017 3.984 1.00 0.15 N ATOM 255 CA ALA A 16 -1.054 4.036 5.319 1.00 0.16 C ATOM 256 C ALA A 16 0.142 3.077 5.419 1.00 0.15 C ATOM 257 O ALA A 16 1.214 3.475 5.871 1.00 0.18 O ATOM 258 CB ALA A 16 -2.095 3.701 6.388 1.00 0.20 C ATOM 0 H ALA A 16 -2.630 3.691 3.976 1.00 0.15 H new ATOM 0 HA ALA A 16 -0.679 5.045 5.490 1.00 0.16 H new ATOM 0 HB1 ALA A 16 -1.625 3.720 7.372 1.00 0.20 H new ATOM 0 HB2 ALA A 16 -2.899 4.436 6.356 1.00 0.20 H new ATOM 0 HB3 ALA A 16 -2.503 2.708 6.200 1.00 0.20 H new ATOM 264 N LEU A 17 -0.051 1.824 4.975 1.00 0.15 N ATOM 265 CA LEU A 17 1.010 0.796 5.007 1.00 0.17 C ATOM 266 C LEU A 17 2.269 1.257 4.274 1.00 0.15 C ATOM 267 O LEU A 17 3.379 1.127 4.790 1.00 0.19 O ATOM 268 CB LEU A 17 0.519 -0.517 4.369 1.00 0.21 C ATOM 269 CG LEU A 17 -0.523 -1.310 5.165 1.00 0.25 C ATOM 270 CD1 LEU A 17 -1.008 -2.494 4.343 1.00 0.27 C ATOM 271 CD2 LEU A 17 0.026 -1.796 6.504 1.00 0.33 C ATOM 0 H LEU A 17 -0.935 1.495 4.587 1.00 0.15 H new ATOM 0 HA LEU A 17 1.254 0.630 6.056 1.00 0.17 H new ATOM 0 HB2 LEU A 17 0.099 -0.286 3.390 1.00 0.21 H new ATOM 0 HB3 LEU A 17 1.383 -1.160 4.201 1.00 0.21 H new ATOM 0 HG LEU A 17 -1.356 -0.640 5.376 1.00 0.25 H new ATOM 0 HD11 LEU A 17 -1.749 -3.054 4.914 1.00 0.27 H new ATOM 0 HD12 LEU A 17 -1.459 -2.134 3.418 1.00 0.27 H new ATOM 0 HD13 LEU A 17 -0.165 -3.143 4.107 1.00 0.27 H new ATOM 0 HD21 LEU A 17 -0.747 -2.353 7.034 1.00 0.33 H new ATOM 0 HD22 LEU A 17 0.886 -2.443 6.331 1.00 0.33 H new ATOM 0 HD23 LEU A 17 0.332 -0.939 7.104 1.00 0.33 H new ATOM 283 N LEU A 18 2.090 1.776 3.062 1.00 0.12 N ATOM 284 CA LEU A 18 3.223 2.259 2.258 1.00 0.12 C ATOM 285 C LEU A 18 3.980 3.377 2.974 1.00 0.13 C ATOM 286 O LEU A 18 5.205 3.357 3.061 1.00 0.15 O ATOM 287 CB LEU A 18 2.745 2.769 0.896 1.00 0.12 C ATOM 288 CG LEU A 18 1.948 1.765 0.065 1.00 0.13 C ATOM 289 CD1 LEU A 18 1.222 2.485 -1.064 1.00 0.22 C ATOM 290 CD2 LEU A 18 2.855 0.660 -0.472 1.00 0.15 C ATOM 0 H LEU A 18 1.180 1.875 2.612 1.00 0.12 H new ATOM 0 HA LEU A 18 3.897 1.414 2.114 1.00 0.12 H new ATOM 0 HB2 LEU A 18 2.129 3.655 1.054 1.00 0.12 H new ATOM 0 HB3 LEU A 18 3.614 3.084 0.319 1.00 0.12 H new ATOM 0 HG LEU A 18 1.203 1.291 0.705 1.00 0.13 H new ATOM 0 HD11 LEU A 18 0.656 1.762 -1.652 1.00 0.22 H new ATOM 0 HD12 LEU A 18 0.540 3.225 -0.645 1.00 0.22 H new ATOM 0 HD13 LEU A 18 1.949 2.984 -1.705 1.00 0.22 H new ATOM 0 HD21 LEU A 18 2.264 -0.042 -1.060 1.00 0.15 H new ATOM 0 HD22 LEU A 18 3.629 1.099 -1.101 1.00 0.15 H new ATOM 0 HD23 LEU A 18 3.320 0.134 0.362 1.00 0.15 H new ATOM 302 N LYS A 19 3.236 4.331 3.523 1.00 0.17 N ATOM 303 CA LYS A 19 3.830 5.481 4.205 1.00 0.21 C ATOM 304 C LYS A 19 4.565 5.105 5.511 1.00 0.24 C ATOM 305 O LYS A 19 5.239 5.951 6.102 1.00 0.32 O ATOM 306 CB LYS A 19 2.750 6.531 4.470 1.00 0.23 C ATOM 307 CG LYS A 19 2.207 7.160 3.191 1.00 0.25 C ATOM 308 CD LYS A 19 1.103 8.169 3.489 1.00 0.38 C ATOM 309 CE LYS A 19 1.664 9.557 3.795 1.00 0.80 C ATOM 310 NZ LYS A 19 2.494 10.080 2.677 1.00 1.39 N ATOM 0 H LYS A 19 2.216 4.333 3.510 1.00 0.17 H new ATOM 0 HA LYS A 19 4.593 5.892 3.543 1.00 0.21 H new ATOM 0 HB2 LYS A 19 1.929 6.070 5.019 1.00 0.23 H new ATOM 0 HB3 LYS A 19 3.160 7.314 5.108 1.00 0.23 H new ATOM 0 HG2 LYS A 19 3.017 7.654 2.655 1.00 0.25 H new ATOM 0 HG3 LYS A 19 1.821 6.379 2.536 1.00 0.25 H new ATOM 0 HD2 LYS A 19 0.428 8.231 2.635 1.00 0.38 H new ATOM 0 HD3 LYS A 19 0.513 7.821 4.337 1.00 0.38 H new ATOM 0 HE2 LYS A 19 0.842 10.246 3.990 1.00 0.80 H new ATOM 0 HE3 LYS A 19 2.265 9.513 4.703 1.00 0.80 H new ATOM 0 HZ1 LYS A 19 2.489 11.120 2.698 1.00 1.39 H new ATOM 0 HZ2 LYS A 19 3.470 9.736 2.779 1.00 1.39 H new ATOM 0 HZ3 LYS A 19 2.104 9.750 1.771 1.00 1.39 H new ATOM 324 N GLU A 20 4.463 3.839 5.950 1.00 0.26 N ATOM 325 CA GLU A 20 5.193 3.367 7.139 1.00 0.30 C ATOM 326 C GLU A 20 6.672 3.091 6.807 1.00 0.27 C ATOM 327 O GLU A 20 7.517 3.067 7.707 1.00 0.30 O ATOM 328 CB GLU A 20 4.563 2.078 7.696 1.00 0.39 C ATOM 329 CG GLU A 20 3.184 2.269 8.325 1.00 0.48 C ATOM 330 CD GLU A 20 2.601 0.979 8.869 1.00 1.05 C ATOM 331 OE1 GLU A 20 3.334 0.237 9.549 1.00 1.76 O ATOM 332 OE2 GLU A 20 1.402 0.725 8.643 1.00 1.75 O ATOM 0 H GLU A 20 3.885 3.127 5.502 1.00 0.26 H new ATOM 0 HA GLU A 20 5.131 4.156 7.888 1.00 0.30 H new ATOM 0 HB2 GLU A 20 4.483 1.349 6.889 1.00 0.39 H new ATOM 0 HB3 GLU A 20 5.234 1.654 8.443 1.00 0.39 H new ATOM 0 HG2 GLU A 20 3.256 2.998 9.132 1.00 0.48 H new ATOM 0 HG3 GLU A 20 2.505 2.684 7.580 1.00 0.48 H new ATOM 339 N GLU A 21 6.966 2.831 5.520 1.00 0.24 N ATOM 340 CA GLU A 21 8.326 2.503 5.062 1.00 0.26 C ATOM 341 C GLU A 21 8.807 1.198 5.719 1.00 0.28 C ATOM 342 O GLU A 21 9.832 1.166 6.406 1.00 0.42 O ATOM 343 CB GLU A 21 9.303 3.660 5.348 1.00 0.28 C ATOM 344 CG GLU A 21 8.807 5.028 4.875 1.00 0.33 C ATOM 345 CD GLU A 21 9.671 6.168 5.374 1.00 0.44 C ATOM 346 OE1 GLU A 21 10.047 6.152 6.563 1.00 1.17 O ATOM 347 OE2 GLU A 21 9.955 7.094 4.585 1.00 1.19 O ATOM 0 H GLU A 21 6.271 2.842 4.773 1.00 0.24 H new ATOM 0 HA GLU A 21 8.299 2.357 3.982 1.00 0.26 H new ATOM 0 HB2 GLU A 21 9.492 3.705 6.421 1.00 0.28 H new ATOM 0 HB3 GLU A 21 10.256 3.444 4.865 1.00 0.28 H new ATOM 0 HG2 GLU A 21 8.784 5.045 3.785 1.00 0.33 H new ATOM 0 HG3 GLU A 21 7.783 5.177 5.217 1.00 0.33 H new ATOM 354 N LYS A 22 8.008 0.145 5.540 1.00 0.24 N ATOM 355 CA LYS A 22 8.259 -1.166 6.148 1.00 0.27 C ATOM 356 C LYS A 22 8.278 -2.271 5.085 1.00 0.33 C ATOM 357 O LYS A 22 9.146 -3.143 5.095 1.00 0.74 O ATOM 358 CB LYS A 22 7.160 -1.437 7.194 1.00 0.37 C ATOM 359 CG LYS A 22 7.092 -2.869 7.721 1.00 0.95 C ATOM 360 CD LYS A 22 6.522 -2.911 9.138 1.00 1.24 C ATOM 361 CE LYS A 22 5.460 -3.998 9.302 1.00 1.69 C ATOM 362 NZ LYS A 22 6.058 -5.354 9.421 1.00 2.44 N ATOM 0 H LYS A 22 7.165 0.176 4.967 1.00 0.24 H new ATOM 0 HA LYS A 22 9.237 -1.163 6.629 1.00 0.27 H new ATOM 0 HB2 LYS A 22 7.313 -0.765 8.038 1.00 0.37 H new ATOM 0 HB3 LYS A 22 6.195 -1.184 6.755 1.00 0.37 H new ATOM 0 HG2 LYS A 22 6.472 -3.474 7.059 1.00 0.95 H new ATOM 0 HG3 LYS A 22 8.089 -3.309 7.714 1.00 0.95 H new ATOM 0 HD2 LYS A 22 7.331 -3.086 9.848 1.00 1.24 H new ATOM 0 HD3 LYS A 22 6.088 -1.941 9.382 1.00 1.24 H new ATOM 0 HE2 LYS A 22 4.861 -3.788 10.188 1.00 1.69 H new ATOM 0 HE3 LYS A 22 4.784 -3.975 8.447 1.00 1.69 H new ATOM 0 HZ1 LYS A 22 5.301 -6.059 9.530 1.00 2.44 H new ATOM 0 HZ2 LYS A 22 6.608 -5.567 8.565 1.00 2.44 H new ATOM 0 HZ3 LYS A 22 6.683 -5.386 10.251 1.00 2.44 H new ATOM 376 N PHE A 23 7.302 -2.225 4.178 1.00 0.25 N ATOM 377 CA PHE A 23 7.152 -3.233 3.120 1.00 0.25 C ATOM 378 C PHE A 23 8.051 -2.932 1.924 1.00 0.23 C ATOM 379 O PHE A 23 8.040 -1.821 1.395 1.00 0.30 O ATOM 380 CB PHE A 23 5.686 -3.281 2.688 1.00 0.36 C ATOM 381 CG PHE A 23 4.766 -3.444 3.869 1.00 0.34 C ATOM 382 CD1 PHE A 23 4.761 -4.628 4.591 1.00 1.22 C ATOM 383 CD2 PHE A 23 4.007 -2.383 4.337 1.00 1.25 C ATOM 384 CE1 PHE A 23 3.967 -4.772 5.710 1.00 1.21 C ATOM 385 CE2 PHE A 23 3.213 -2.524 5.458 1.00 1.27 C ATOM 386 CZ PHE A 23 3.192 -3.720 6.144 1.00 0.35 C ATOM 0 H PHE A 23 6.593 -1.492 4.153 1.00 0.25 H new ATOM 0 HA PHE A 23 7.457 -4.203 3.514 1.00 0.25 H new ATOM 0 HB2 PHE A 23 5.433 -2.366 2.153 1.00 0.36 H new ATOM 0 HB3 PHE A 23 5.537 -4.108 1.993 1.00 0.36 H new ATOM 0 HD1 PHE A 23 5.387 -5.448 4.273 1.00 1.22 H new ATOM 0 HD2 PHE A 23 4.037 -1.436 3.819 1.00 1.25 H new ATOM 0 HE1 PHE A 23 3.953 -5.710 6.245 1.00 1.21 H new ATOM 0 HE2 PHE A 23 2.608 -1.697 5.798 1.00 1.27 H new ATOM 0 HZ PHE A 23 2.569 -3.831 7.019 1.00 0.35 H new ATOM 396 N SER A 24 8.813 -3.935 1.495 1.00 0.22 N ATOM 397 CA SER A 24 9.758 -3.784 0.378 1.00 0.27 C ATOM 398 C SER A 24 9.248 -4.434 -0.915 1.00 0.26 C ATOM 399 O SER A 24 9.839 -4.242 -1.975 1.00 0.44 O ATOM 400 CB SER A 24 11.145 -4.355 0.749 1.00 0.37 C ATOM 401 OG SER A 24 11.307 -4.511 2.156 1.00 1.04 O ATOM 0 H SER A 24 8.798 -4.869 1.904 1.00 0.22 H new ATOM 0 HA SER A 24 9.850 -2.714 0.191 1.00 0.27 H new ATOM 0 HB2 SER A 24 11.281 -5.320 0.261 1.00 0.37 H new ATOM 0 HB3 SER A 24 11.922 -3.693 0.367 1.00 0.37 H new ATOM 0 HG SER A 24 12.197 -4.876 2.344 1.00 1.04 H new ATOM 407 N SER A 25 8.155 -5.190 -0.830 1.00 0.21 N ATOM 408 CA SER A 25 7.568 -5.829 -2.007 1.00 0.22 C ATOM 409 C SER A 25 6.046 -5.932 -1.864 1.00 0.20 C ATOM 410 O SER A 25 5.499 -5.787 -0.768 1.00 0.24 O ATOM 411 CB SER A 25 8.194 -7.217 -2.258 1.00 0.31 C ATOM 412 OG SER A 25 8.425 -7.935 -1.049 1.00 0.43 O ATOM 0 H SER A 25 7.658 -5.375 0.041 1.00 0.21 H new ATOM 0 HA SER A 25 7.787 -5.205 -2.873 1.00 0.22 H new ATOM 0 HB2 SER A 25 7.535 -7.799 -2.903 1.00 0.31 H new ATOM 0 HB3 SER A 25 9.137 -7.096 -2.792 1.00 0.31 H new ATOM 0 HG SER A 25 8.820 -8.807 -1.257 1.00 0.43 H new ATOM 418 N GLN A 26 5.377 -6.166 -2.994 1.00 0.22 N ATOM 419 CA GLN A 26 3.912 -6.298 -3.060 1.00 0.23 C ATOM 420 C GLN A 26 3.394 -7.369 -2.087 1.00 0.27 C ATOM 421 O GLN A 26 2.622 -7.072 -1.182 1.00 0.44 O ATOM 422 CB GLN A 26 3.499 -6.650 -4.498 1.00 0.33 C ATOM 423 CG GLN A 26 4.368 -5.996 -5.574 1.00 0.48 C ATOM 424 CD GLN A 26 3.839 -6.211 -6.980 1.00 0.76 C ATOM 425 OE1 GLN A 26 3.301 -7.271 -7.294 1.00 1.53 O ATOM 426 NE2 GLN A 26 3.991 -5.209 -7.836 1.00 0.81 N ATOM 0 H GLN A 26 5.836 -6.271 -3.899 1.00 0.22 H new ATOM 0 HA GLN A 26 3.469 -5.346 -2.767 1.00 0.23 H new ATOM 0 HB2 GLN A 26 3.539 -7.732 -4.622 1.00 0.33 H new ATOM 0 HB3 GLN A 26 2.462 -6.350 -4.651 1.00 0.33 H new ATOM 0 HG2 GLN A 26 4.435 -4.926 -5.377 1.00 0.48 H new ATOM 0 HG3 GLN A 26 5.380 -6.396 -5.508 1.00 0.48 H new ATOM 0 HE21 GLN A 26 4.443 -4.346 -7.535 1.00 0.81 H new ATOM 0 HE22 GLN A 26 3.656 -5.302 -8.795 1.00 0.81 H new ATOM 435 N GLY A 27 3.886 -8.595 -2.259 1.00 0.23 N ATOM 436 CA GLY A 27 3.491 -9.737 -1.414 1.00 0.25 C ATOM 437 C GLY A 27 3.431 -9.450 0.091 1.00 0.23 C ATOM 438 O GLY A 27 2.552 -9.968 0.788 1.00 0.30 O ATOM 0 H GLY A 27 4.566 -8.831 -2.982 1.00 0.23 H new ATOM 0 HA2 GLY A 27 2.511 -10.087 -1.740 1.00 0.25 H new ATOM 0 HA3 GLY A 27 4.193 -10.553 -1.584 1.00 0.25 H new ATOM 442 N GLU A 28 4.349 -8.615 0.593 1.00 0.22 N ATOM 443 CA GLU A 28 4.400 -8.267 2.022 1.00 0.25 C ATOM 444 C GLU A 28 3.206 -7.392 2.449 1.00 0.20 C ATOM 445 O GLU A 28 2.623 -7.613 3.516 1.00 0.24 O ATOM 446 CB GLU A 28 5.728 -7.565 2.349 1.00 0.34 C ATOM 447 CG GLU A 28 6.948 -8.351 1.882 1.00 0.96 C ATOM 448 CD GLU A 28 8.257 -7.759 2.363 1.00 1.05 C ATOM 449 OE1 GLU A 28 8.694 -6.738 1.794 1.00 1.62 O ATOM 450 OE2 GLU A 28 8.858 -8.321 3.296 1.00 1.59 O ATOM 0 H GLU A 28 5.070 -8.165 0.029 1.00 0.22 H new ATOM 0 HA GLU A 28 4.336 -9.196 2.589 1.00 0.25 H new ATOM 0 HB2 GLU A 28 5.737 -6.580 1.882 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.794 -7.408 3.426 1.00 0.34 H new ATOM 0 HG2 GLU A 28 6.869 -9.378 2.237 1.00 0.96 H new ATOM 0 HG3 GLU A 28 6.952 -8.390 0.793 1.00 0.96 H new ATOM 457 N ILE A 29 2.838 -6.408 1.615 1.00 0.17 N ATOM 458 CA ILE A 29 1.683 -5.537 1.908 1.00 0.15 C ATOM 459 C ILE A 29 0.358 -6.283 1.651 1.00 0.14 C ATOM 460 O ILE A 29 -0.664 -5.970 2.272 1.00 0.16 O ATOM 461 CB ILE A 29 1.755 -4.157 1.160 1.00 0.16 C ATOM 462 CG1 ILE A 29 0.383 -3.662 0.678 1.00 0.15 C ATOM 463 CG2 ILE A 29 2.729 -4.180 -0.014 1.00 0.23 C ATOM 464 CD1 ILE A 29 0.434 -2.264 0.091 1.00 0.16 C ATOM 0 H ILE A 29 3.316 -6.194 0.740 1.00 0.17 H new ATOM 0 HA ILE A 29 1.722 -5.290 2.969 1.00 0.15 H new ATOM 0 HB ILE A 29 2.125 -3.455 1.907 1.00 0.16 H new ATOM 0 HG12 ILE A 29 -0.004 -4.352 -0.072 1.00 0.15 H new ATOM 0 HG13 ILE A 29 -0.317 -3.675 1.514 1.00 0.15 H new ATOM 0 HG21 ILE A 29 2.741 -3.203 -0.496 1.00 0.23 H new ATOM 0 HG22 ILE A 29 3.729 -4.418 0.348 1.00 0.23 H new ATOM 0 HG23 ILE A 29 2.414 -4.936 -0.734 1.00 0.23 H new ATOM 0 HD11 ILE A 29 -0.564 -1.968 -0.232 1.00 0.16 H new ATOM 0 HD12 ILE A 29 0.793 -1.565 0.847 1.00 0.16 H new ATOM 0 HD13 ILE A 29 1.110 -2.253 -0.764 1.00 0.16 H new ATOM 476 N VAL A 30 0.401 -7.335 0.815 1.00 0.14 N ATOM 477 CA VAL A 30 -0.765 -8.205 0.589 1.00 0.16 C ATOM 478 C VAL A 30 -1.117 -8.931 1.894 1.00 0.17 C ATOM 479 O VAL A 30 -2.255 -8.884 2.370 1.00 0.24 O ATOM 480 CB VAL A 30 -0.503 -9.268 -0.524 1.00 0.18 C ATOM 481 CG1 VAL A 30 -1.746 -10.101 -0.791 1.00 0.29 C ATOM 482 CG2 VAL A 30 -0.033 -8.627 -1.823 1.00 0.23 C ATOM 0 H VAL A 30 1.230 -7.603 0.285 1.00 0.14 H new ATOM 0 HA VAL A 30 -1.588 -7.570 0.261 1.00 0.16 H new ATOM 0 HB VAL A 30 0.291 -9.917 -0.154 1.00 0.18 H new ATOM 0 HG11 VAL A 30 -1.533 -10.833 -1.571 1.00 0.29 H new ATOM 0 HG12 VAL A 30 -2.040 -10.619 0.122 1.00 0.29 H new ATOM 0 HG13 VAL A 30 -2.557 -9.450 -1.116 1.00 0.29 H new ATOM 0 HG21 VAL A 30 0.138 -9.402 -2.570 1.00 0.23 H new ATOM 0 HG22 VAL A 30 -0.795 -7.936 -2.184 1.00 0.23 H new ATOM 0 HG23 VAL A 30 0.895 -8.084 -1.646 1.00 0.23 H new ATOM 492 N ALA A 31 -0.093 -9.549 2.495 1.00 0.17 N ATOM 493 CA ALA A 31 -0.226 -10.259 3.770 1.00 0.21 C ATOM 494 C ALA A 31 -0.666 -9.315 4.900 1.00 0.21 C ATOM 495 O ALA A 31 -1.487 -9.683 5.740 1.00 0.26 O ATOM 496 CB ALA A 31 1.097 -10.937 4.119 1.00 0.25 C ATOM 0 H ALA A 31 0.851 -9.570 2.110 1.00 0.17 H new ATOM 0 HA ALA A 31 -1.002 -11.017 3.661 1.00 0.21 H new ATOM 0 HB1 ALA A 31 0.996 -11.465 5.068 1.00 0.25 H new ATOM 0 HB2 ALA A 31 1.360 -11.647 3.335 1.00 0.25 H new ATOM 0 HB3 ALA A 31 1.880 -10.184 4.204 1.00 0.25 H new ATOM 502 N ALA A 32 -0.145 -8.082 4.885 1.00 0.18 N ATOM 503 CA ALA A 32 -0.487 -7.070 5.891 1.00 0.20 C ATOM 504 C ALA A 32 -1.987 -6.743 5.882 1.00 0.18 C ATOM 505 O ALA A 32 -2.626 -6.730 6.932 1.00 0.24 O ATOM 506 CB ALA A 32 0.337 -5.805 5.675 1.00 0.21 C ATOM 0 H ALA A 32 0.520 -7.760 4.182 1.00 0.18 H new ATOM 0 HA ALA A 32 -0.248 -7.485 6.870 1.00 0.20 H new ATOM 0 HB1 ALA A 32 0.071 -5.064 6.429 1.00 0.21 H new ATOM 0 HB2 ALA A 32 1.397 -6.043 5.758 1.00 0.21 H new ATOM 0 HB3 ALA A 32 0.132 -5.402 4.683 1.00 0.21 H new ATOM 512 N LEU A 33 -2.555 -6.524 4.691 1.00 0.15 N ATOM 513 CA LEU A 33 -3.990 -6.229 4.561 1.00 0.15 C ATOM 514 C LEU A 33 -4.852 -7.437 4.974 1.00 0.17 C ATOM 515 O LEU A 33 -5.917 -7.274 5.576 1.00 0.21 O ATOM 516 CB LEU A 33 -4.332 -5.784 3.131 1.00 0.21 C ATOM 517 CG LEU A 33 -3.625 -4.502 2.662 1.00 0.29 C ATOM 518 CD1 LEU A 33 -3.482 -4.480 1.147 1.00 0.47 C ATOM 519 CD2 LEU A 33 -4.378 -3.266 3.140 1.00 0.37 C ATOM 0 H LEU A 33 -2.048 -6.545 3.806 1.00 0.15 H new ATOM 0 HA LEU A 33 -4.219 -5.407 5.240 1.00 0.15 H new ATOM 0 HB2 LEU A 33 -4.079 -6.592 2.445 1.00 0.21 H new ATOM 0 HB3 LEU A 33 -5.409 -5.633 3.062 1.00 0.21 H new ATOM 0 HG LEU A 33 -2.627 -4.492 3.099 1.00 0.29 H new ATOM 0 HD11 LEU A 33 -2.979 -3.562 0.842 1.00 0.47 H new ATOM 0 HD12 LEU A 33 -2.895 -5.340 0.824 1.00 0.47 H new ATOM 0 HD13 LEU A 33 -4.470 -4.522 0.688 1.00 0.47 H new ATOM 0 HD21 LEU A 33 -3.861 -2.370 2.797 1.00 0.37 H new ATOM 0 HD22 LEU A 33 -5.390 -3.278 2.736 1.00 0.37 H new ATOM 0 HD23 LEU A 33 -4.422 -3.265 4.229 1.00 0.37 H new ATOM 531 N GLN A 34 -4.366 -8.655 4.706 1.00 0.20 N ATOM 532 CA GLN A 34 -5.073 -9.875 5.130 1.00 0.26 C ATOM 533 C GLN A 34 -5.209 -9.915 6.664 1.00 0.29 C ATOM 534 O GLN A 34 -6.263 -10.282 7.188 1.00 0.38 O ATOM 535 CB GLN A 34 -4.348 -11.133 4.627 1.00 0.29 C ATOM 536 CG GLN A 34 -4.471 -11.358 3.121 1.00 0.33 C ATOM 537 CD GLN A 34 -3.494 -12.400 2.596 1.00 0.58 C ATOM 538 OE1 GLN A 34 -2.741 -13.003 3.362 1.00 1.12 O ATOM 539 NE2 GLN A 34 -3.494 -12.613 1.288 1.00 0.58 N ATOM 0 H GLN A 34 -3.495 -8.824 4.203 1.00 0.20 H new ATOM 0 HA GLN A 34 -6.070 -9.856 4.691 1.00 0.26 H new ATOM 0 HB2 GLN A 34 -3.292 -11.061 4.889 1.00 0.29 H new ATOM 0 HB3 GLN A 34 -4.747 -12.003 5.148 1.00 0.29 H new ATOM 0 HG2 GLN A 34 -5.489 -11.671 2.887 1.00 0.33 H new ATOM 0 HG3 GLN A 34 -4.301 -10.414 2.603 1.00 0.33 H new ATOM 0 HE21 GLN A 34 -4.133 -12.093 0.687 1.00 0.58 H new ATOM 0 HE22 GLN A 34 -2.855 -13.297 0.883 1.00 0.58 H new ATOM 548 N GLU A 35 -4.159 -9.464 7.371 1.00 0.28 N ATOM 549 CA GLU A 35 -4.169 -9.375 8.841 1.00 0.34 C ATOM 550 C GLU A 35 -5.056 -8.213 9.327 1.00 0.34 C ATOM 551 O GLU A 35 -5.687 -8.308 10.381 1.00 0.45 O ATOM 552 CB GLU A 35 -2.741 -9.183 9.381 1.00 0.37 C ATOM 553 CG GLU A 35 -1.782 -10.311 9.024 1.00 0.65 C ATOM 554 CD GLU A 35 -0.348 -9.991 9.393 1.00 1.20 C ATOM 555 OE1 GLU A 35 -0.029 -10.012 10.596 1.00 1.94 O ATOM 556 OE2 GLU A 35 0.447 -9.684 8.485 1.00 1.78 O ATOM 0 H GLU A 35 -3.286 -9.153 6.944 1.00 0.28 H new ATOM 0 HA GLU A 35 -4.579 -10.311 9.220 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -2.341 -8.245 8.995 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -2.785 -9.088 10.466 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -2.091 -11.222 9.536 1.00 0.65 H new ATOM 0 HG3 GLU A 35 -1.843 -10.510 7.954 1.00 0.65 H new ATOM 563 N GLN A 36 -5.087 -7.114 8.555 1.00 0.26 N ATOM 564 CA GLN A 36 -5.882 -5.922 8.901 1.00 0.28 C ATOM 565 C GLN A 36 -7.372 -6.257 9.043 1.00 0.30 C ATOM 566 O GLN A 36 -7.994 -5.915 10.051 1.00 0.39 O ATOM 567 CB GLN A 36 -5.688 -4.814 7.847 1.00 0.26 C ATOM 568 CG GLN A 36 -4.312 -4.154 7.894 1.00 0.31 C ATOM 569 CD GLN A 36 -4.241 -2.992 8.873 1.00 0.49 C ATOM 570 OE1 GLN A 36 -4.329 -3.186 10.085 1.00 1.42 O ATOM 571 NE2 GLN A 36 -4.096 -1.780 8.353 1.00 0.65 N ATOM 0 H GLN A 36 -4.567 -7.026 7.682 1.00 0.26 H new ATOM 0 HA GLN A 36 -5.524 -5.562 9.866 1.00 0.28 H new ATOM 0 HB2 GLN A 36 -5.844 -5.238 6.855 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -6.452 -4.050 7.991 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -3.567 -4.900 8.170 1.00 0.31 H new ATOM 0 HG3 GLN A 36 -4.052 -3.798 6.897 1.00 0.31 H new ATOM 0 HE21 GLN A 36 -4.027 -1.664 7.342 1.00 0.65 H new ATOM 0 HE22 GLN A 36 -4.054 -0.965 8.964 1.00 0.65 H new ATOM 580 N GLY A 37 -7.935 -6.939 8.043 1.00 0.28 N ATOM 581 CA GLY A 37 -9.348 -7.311 8.097 1.00 0.33 C ATOM 582 C GLY A 37 -9.962 -7.606 6.739 1.00 0.34 C ATOM 583 O GLY A 37 -11.157 -7.902 6.650 1.00 0.46 O ATOM 0 H GLY A 37 -7.444 -7.240 7.201 1.00 0.28 H new ATOM 0 HA2 GLY A 37 -9.458 -8.190 8.732 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -9.908 -6.504 8.570 1.00 0.33 H new ATOM 587 N PHE A 38 -9.165 -7.518 5.673 1.00 0.30 N ATOM 588 CA PHE A 38 -9.676 -7.724 4.314 1.00 0.34 C ATOM 589 C PHE A 38 -9.673 -9.203 3.926 1.00 0.45 C ATOM 590 O PHE A 38 -9.004 -10.025 4.563 1.00 0.83 O ATOM 591 CB PHE A 38 -8.864 -6.884 3.321 1.00 0.31 C ATOM 592 CG PHE A 38 -8.845 -5.428 3.703 1.00 0.26 C ATOM 593 CD1 PHE A 38 -7.974 -4.972 4.676 1.00 1.19 C ATOM 594 CD2 PHE A 38 -9.772 -4.550 3.181 1.00 1.24 C ATOM 595 CE1 PHE A 38 -7.984 -3.657 5.076 1.00 1.19 C ATOM 596 CE2 PHE A 38 -9.786 -3.227 3.579 1.00 1.26 C ATOM 597 CZ PHE A 38 -8.889 -2.781 4.528 1.00 0.29 C ATOM 0 H PHE A 38 -8.168 -7.307 5.722 1.00 0.30 H new ATOM 0 HA PHE A 38 -10.715 -7.395 4.284 1.00 0.34 H new ATOM 0 HB2 PHE A 38 -7.842 -7.261 3.277 1.00 0.31 H new ATOM 0 HB3 PHE A 38 -9.287 -6.992 2.322 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -7.275 -5.660 5.128 1.00 1.19 H new ATOM 0 HD2 PHE A 38 -10.492 -4.899 2.456 1.00 1.24 H new ATOM 0 HE1 PHE A 38 -7.281 -3.313 5.820 1.00 1.19 H new ATOM 0 HE2 PHE A 38 -10.500 -2.541 3.147 1.00 1.26 H new ATOM 0 HZ PHE A 38 -8.898 -1.747 4.839 1.00 0.29 H new ATOM 607 N ASP A 39 -10.476 -9.539 2.916 1.00 0.46 N ATOM 608 CA ASP A 39 -10.606 -10.898 2.427 1.00 0.58 C ATOM 609 C ASP A 39 -10.657 -10.891 0.901 1.00 0.69 C ATOM 610 O ASP A 39 -11.302 -10.041 0.282 1.00 1.55 O ATOM 611 CB ASP A 39 -11.855 -11.590 3.021 1.00 0.72 C ATOM 612 CG ASP A 39 -13.176 -10.958 2.602 1.00 1.53 C ATOM 613 OD1 ASP A 39 -13.338 -9.733 2.775 1.00 2.21 O ATOM 614 OD2 ASP A 39 -14.059 -11.694 2.119 1.00 2.24 O ATOM 0 H ASP A 39 -11.056 -8.865 2.415 1.00 0.46 H new ATOM 0 HA ASP A 39 -9.736 -11.470 2.749 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -11.854 -12.638 2.720 1.00 0.72 H new ATOM 0 HB3 ASP A 39 -11.785 -11.571 4.109 1.00 0.72 H new ATOM 619 N ASN A 40 -9.935 -11.838 0.329 1.00 0.95 N ATOM 620 CA ASN A 40 -9.765 -11.992 -1.132 1.00 1.07 C ATOM 621 C ASN A 40 -8.776 -10.955 -1.661 1.00 0.91 C ATOM 622 O ASN A 40 -8.960 -10.382 -2.739 1.00 1.18 O ATOM 623 CB ASN A 40 -11.100 -11.913 -1.909 1.00 1.35 C ATOM 624 CG ASN A 40 -12.094 -12.977 -1.490 1.00 1.76 C ATOM 625 OD1 ASN A 40 -11.782 -14.169 -1.496 1.00 2.30 O ATOM 626 ND2 ASN A 40 -13.302 -12.563 -1.147 1.00 2.30 N ATOM 0 H ASN A 40 -9.433 -12.545 0.867 1.00 0.95 H new ATOM 0 HA ASN A 40 -9.368 -12.993 -1.299 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -11.544 -10.929 -1.758 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -10.899 -12.011 -2.976 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -14.015 -13.240 -0.874 1.00 2.30 H new ATOM 0 HD22 ASN A 40 -13.521 -11.567 -1.155 1.00 2.30 H new ATOM 633 N ILE A 41 -7.731 -10.712 -0.872 1.00 0.58 N ATOM 634 CA ILE A 41 -6.686 -9.758 -1.212 1.00 0.44 C ATOM 635 C ILE A 41 -5.493 -10.503 -1.812 1.00 0.39 C ATOM 636 O ILE A 41 -4.866 -11.335 -1.150 1.00 0.62 O ATOM 637 CB ILE A 41 -6.280 -8.923 0.041 1.00 0.40 C ATOM 638 CG1 ILE A 41 -7.147 -7.663 0.141 1.00 0.60 C ATOM 639 CG2 ILE A 41 -4.809 -8.530 0.031 1.00 0.39 C ATOM 640 CD1 ILE A 41 -8.621 -7.915 -0.060 1.00 1.68 C ATOM 0 H ILE A 41 -7.588 -11.176 0.025 1.00 0.58 H new ATOM 0 HA ILE A 41 -7.059 -9.056 -1.958 1.00 0.44 H new ATOM 0 HB ILE A 41 -6.444 -9.559 0.911 1.00 0.40 H new ATOM 0 HG12 ILE A 41 -6.997 -7.208 1.120 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -6.808 -6.941 -0.602 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -4.581 -7.951 0.926 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -4.192 -9.429 0.014 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -4.599 -7.929 -0.854 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -9.166 -6.975 0.026 1.00 1.68 H new ATOM 0 HD12 ILE A 41 -8.786 -8.341 -1.050 1.00 1.68 H new ATOM 0 HD13 ILE A 41 -8.978 -8.612 0.699 1.00 1.68 H new ATOM 652 N ASN A 42 -5.234 -10.235 -3.091 1.00 0.33 N ATOM 653 CA ASN A 42 -4.158 -10.902 -3.847 1.00 0.31 C ATOM 654 C ASN A 42 -3.072 -9.910 -4.293 1.00 0.24 C ATOM 655 O ASN A 42 -3.213 -8.693 -4.136 1.00 0.25 O ATOM 656 CB ASN A 42 -4.741 -11.642 -5.074 1.00 0.40 C ATOM 657 CG ASN A 42 -5.686 -10.785 -5.908 1.00 0.48 C ATOM 658 OD1 ASN A 42 -5.256 -9.870 -6.610 1.00 0.66 O ATOM 659 ND2 ASN A 42 -6.979 -11.058 -5.811 1.00 0.91 N ATOM 0 H ASN A 42 -5.759 -9.552 -3.637 1.00 0.33 H new ATOM 0 HA ASN A 42 -3.690 -11.626 -3.180 1.00 0.31 H new ATOM 0 HB2 ASN A 42 -3.921 -11.984 -5.705 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -5.273 -12.530 -4.734 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -7.658 -10.501 -6.329 1.00 0.91 H new ATOM 0 HD22 ASN A 42 -7.295 -11.825 -5.218 1.00 0.91 H new ATOM 666 N GLN A 43 -2.001 -10.451 -4.886 1.00 0.24 N ATOM 667 CA GLN A 43 -0.861 -9.656 -5.371 1.00 0.26 C ATOM 668 C GLN A 43 -1.262 -8.701 -6.504 1.00 0.22 C ATOM 669 O GLN A 43 -0.836 -7.548 -6.522 1.00 0.24 O ATOM 670 CB GLN A 43 0.274 -10.584 -5.835 1.00 0.37 C ATOM 671 CG GLN A 43 1.668 -10.049 -5.531 1.00 0.56 C ATOM 672 CD GLN A 43 2.750 -11.099 -5.718 1.00 0.88 C ATOM 673 OE1 GLN A 43 3.493 -11.076 -6.700 1.00 1.66 O ATOM 674 NE2 GLN A 43 2.823 -12.045 -4.793 1.00 1.43 N ATOM 0 H GLN A 43 -1.898 -11.453 -5.044 1.00 0.24 H new ATOM 0 HA GLN A 43 -0.512 -9.045 -4.539 1.00 0.26 H new ATOM 0 HB2 GLN A 43 0.155 -11.556 -5.356 1.00 0.37 H new ATOM 0 HB3 GLN A 43 0.183 -10.745 -6.909 1.00 0.37 H new ATOM 0 HG2 GLN A 43 1.876 -9.198 -6.180 1.00 0.56 H new ATOM 0 HG3 GLN A 43 1.697 -9.682 -4.505 1.00 0.56 H new ATOM 0 HE21 GLN A 43 2.189 -12.028 -3.994 1.00 1.43 H new ATOM 0 HE22 GLN A 43 3.514 -12.791 -4.879 1.00 1.43 H new ATOM 683 N SER A 44 -2.108 -9.176 -7.427 1.00 0.25 N ATOM 684 CA SER A 44 -2.588 -8.370 -8.551 1.00 0.29 C ATOM 685 C SER A 44 -3.303 -7.092 -8.080 1.00 0.28 C ATOM 686 O SER A 44 -3.110 -6.020 -8.647 1.00 0.34 O ATOM 687 CB SER A 44 -3.509 -9.215 -9.420 1.00 0.36 C ATOM 688 OG SER A 44 -2.920 -10.469 -9.735 1.00 0.83 O ATOM 0 H SER A 44 -2.477 -10.127 -7.414 1.00 0.25 H new ATOM 0 HA SER A 44 -1.725 -8.051 -9.136 1.00 0.29 H new ATOM 0 HB2 SER A 44 -4.454 -9.376 -8.902 1.00 0.36 H new ATOM 0 HB3 SER A 44 -3.737 -8.677 -10.340 1.00 0.36 H new ATOM 0 HG SER A 44 -3.536 -10.989 -10.292 1.00 0.83 H new ATOM 694 N LYS A 45 -4.077 -7.207 -7.000 1.00 0.27 N ATOM 695 CA LYS A 45 -4.774 -6.062 -6.401 1.00 0.30 C ATOM 696 C LYS A 45 -3.769 -5.076 -5.770 1.00 0.22 C ATOM 697 O LYS A 45 -4.007 -3.868 -5.722 1.00 0.26 O ATOM 698 CB LYS A 45 -5.784 -6.581 -5.351 1.00 0.39 C ATOM 699 CG LYS A 45 -6.235 -5.559 -4.308 1.00 0.64 C ATOM 700 CD LYS A 45 -5.308 -5.539 -3.090 1.00 1.44 C ATOM 701 CE LYS A 45 -5.046 -4.124 -2.595 1.00 1.92 C ATOM 702 NZ LYS A 45 -6.295 -3.319 -2.530 1.00 2.16 N ATOM 0 H LYS A 45 -4.240 -8.090 -6.516 1.00 0.27 H new ATOM 0 HA LYS A 45 -5.314 -5.519 -7.177 1.00 0.30 H new ATOM 0 HB2 LYS A 45 -6.665 -6.953 -5.874 1.00 0.39 H new ATOM 0 HB3 LYS A 45 -5.338 -7.430 -4.833 1.00 0.39 H new ATOM 0 HG2 LYS A 45 -6.262 -4.567 -4.760 1.00 0.64 H new ATOM 0 HG3 LYS A 45 -7.251 -5.791 -3.987 1.00 0.64 H new ATOM 0 HD2 LYS A 45 -5.752 -6.127 -2.287 1.00 1.44 H new ATOM 0 HD3 LYS A 45 -4.361 -6.014 -3.347 1.00 1.44 H new ATOM 0 HE2 LYS A 45 -4.588 -4.164 -1.607 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -4.332 -3.634 -3.257 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -6.092 -2.397 -2.094 1.00 2.16 H new ATOM 0 HZ2 LYS A 45 -6.664 -3.173 -3.491 1.00 2.16 H new ATOM 0 HZ3 LYS A 45 -7.004 -3.823 -1.960 1.00 2.16 H new ATOM 716 N VAL A 46 -2.648 -5.612 -5.276 1.00 0.17 N ATOM 717 CA VAL A 46 -1.590 -4.813 -4.647 1.00 0.15 C ATOM 718 C VAL A 46 -0.714 -4.116 -5.704 1.00 0.15 C ATOM 719 O VAL A 46 -0.389 -2.936 -5.555 1.00 0.20 O ATOM 720 CB VAL A 46 -0.766 -5.699 -3.674 1.00 0.18 C ATOM 721 CG1 VAL A 46 0.555 -5.064 -3.268 1.00 0.23 C ATOM 722 CG2 VAL A 46 -1.607 -5.990 -2.433 1.00 0.22 C ATOM 0 H VAL A 46 -2.448 -6.612 -5.301 1.00 0.17 H new ATOM 0 HA VAL A 46 -2.046 -4.016 -4.059 1.00 0.15 H new ATOM 0 HB VAL A 46 -0.520 -6.622 -4.198 1.00 0.18 H new ATOM 0 HG11 VAL A 46 1.085 -5.731 -2.588 1.00 0.23 H new ATOM 0 HG12 VAL A 46 1.164 -4.892 -4.156 1.00 0.23 H new ATOM 0 HG13 VAL A 46 0.364 -4.114 -2.769 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -1.036 -6.612 -1.744 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -1.869 -5.052 -1.943 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -2.517 -6.514 -2.725 1.00 0.22 H new ATOM 732 N SER A 47 -0.413 -4.811 -6.809 1.00 0.17 N ATOM 733 CA SER A 47 0.354 -4.222 -7.920 1.00 0.21 C ATOM 734 C SER A 47 -0.484 -3.163 -8.660 1.00 0.22 C ATOM 735 O SER A 47 0.032 -2.112 -9.055 1.00 0.24 O ATOM 736 CB SER A 47 0.823 -5.318 -8.896 1.00 0.29 C ATOM 737 OG SER A 47 -0.267 -6.001 -9.494 1.00 1.26 O ATOM 0 H SER A 47 -0.688 -5.782 -6.959 1.00 0.17 H new ATOM 0 HA SER A 47 1.234 -3.732 -7.504 1.00 0.21 H new ATOM 0 HB2 SER A 47 1.441 -4.870 -9.674 1.00 0.29 H new ATOM 0 HB3 SER A 47 1.450 -6.033 -8.364 1.00 0.29 H new ATOM 0 HG SER A 47 -1.076 -5.855 -8.961 1.00 1.26 H new ATOM 743 N ARG A 48 -1.792 -3.429 -8.798 1.00 0.23 N ATOM 744 CA ARG A 48 -2.719 -2.491 -9.445 1.00 0.26 C ATOM 745 C ARG A 48 -2.839 -1.202 -8.627 1.00 0.20 C ATOM 746 O ARG A 48 -2.696 -0.105 -9.167 1.00 0.22 O ATOM 747 CB ARG A 48 -4.101 -3.131 -9.644 1.00 0.32 C ATOM 748 CG ARG A 48 -4.119 -4.205 -10.729 1.00 0.41 C ATOM 749 CD ARG A 48 -4.514 -3.649 -12.094 1.00 1.03 C ATOM 750 NE ARG A 48 -5.925 -3.254 -12.151 1.00 1.58 N ATOM 751 CZ ARG A 48 -6.577 -2.974 -13.281 1.00 2.32 C ATOM 752 NH1 ARG A 48 -5.954 -3.045 -14.448 1.00 2.75 N ATOM 753 NH2 ARG A 48 -7.857 -2.637 -13.231 1.00 3.20 N ATOM 0 H ARG A 48 -2.231 -4.289 -8.469 1.00 0.23 H new ATOM 0 HA ARG A 48 -2.316 -2.243 -10.427 1.00 0.26 H new ATOM 0 HB2 ARG A 48 -4.429 -3.571 -8.702 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -4.820 -2.353 -9.900 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -3.133 -4.663 -10.798 1.00 0.41 H new ATOM 0 HG3 ARG A 48 -4.817 -4.992 -10.445 1.00 0.41 H new ATOM 0 HD2 ARG A 48 -3.889 -2.787 -12.327 1.00 1.03 H new ATOM 0 HD3 ARG A 48 -4.319 -4.400 -12.859 1.00 1.03 H new ATOM 0 HE ARG A 48 -6.440 -3.189 -11.273 1.00 1.58 H new ATOM 0 HH11 ARG A 48 -4.971 -3.315 -14.486 1.00 2.75 H new ATOM 0 HH12 ARG A 48 -6.457 -2.830 -15.309 1.00 2.75 H new ATOM 0 HH21 ARG A 48 -8.338 -2.593 -12.333 1.00 3.20 H new ATOM 0 HH22 ARG A 48 -8.362 -2.422 -14.091 1.00 3.20 H new ATOM 767 N MET A 49 -3.013 -1.345 -7.306 1.00 0.17 N ATOM 768 CA MET A 49 -3.110 -0.189 -6.406 1.00 0.16 C ATOM 769 C MET A 49 -1.795 0.606 -6.362 1.00 0.13 C ATOM 770 O MET A 49 -1.820 1.833 -6.262 1.00 0.14 O ATOM 771 CB MET A 49 -3.515 -0.626 -4.991 1.00 0.18 C ATOM 772 CG MET A 49 -5.021 -0.763 -4.800 1.00 0.27 C ATOM 773 SD MET A 49 -5.527 -0.518 -3.087 1.00 1.49 S ATOM 774 CE MET A 49 -7.187 0.120 -3.307 1.00 2.00 C ATOM 0 H MET A 49 -3.089 -2.248 -6.838 1.00 0.17 H new ATOM 0 HA MET A 49 -3.886 0.465 -6.804 1.00 0.16 H new ATOM 0 HB2 MET A 49 -3.041 -1.581 -4.765 1.00 0.18 H new ATOM 0 HB3 MET A 49 -3.131 0.098 -4.273 1.00 0.18 H new ATOM 0 HG2 MET A 49 -5.531 -0.037 -5.433 1.00 0.27 H new ATOM 0 HG3 MET A 49 -5.337 -1.752 -5.130 1.00 0.27 H new ATOM 0 HE1 MET A 49 -7.632 0.320 -2.332 1.00 2.00 H new ATOM 0 HE2 MET A 49 -7.148 1.043 -3.885 1.00 2.00 H new ATOM 0 HE3 MET A 49 -7.792 -0.615 -3.838 1.00 2.00 H new ATOM 784 N LEU A 50 -0.654 -0.089 -6.473 1.00 0.13 N ATOM 785 CA LEU A 50 0.662 0.573 -6.503 1.00 0.14 C ATOM 786 C LEU A 50 0.756 1.526 -7.709 1.00 0.17 C ATOM 787 O LEU A 50 1.195 2.671 -7.578 1.00 0.21 O ATOM 788 CB LEU A 50 1.799 -0.471 -6.570 1.00 0.18 C ATOM 789 CG LEU A 50 2.263 -1.030 -5.218 1.00 0.19 C ATOM 790 CD1 LEU A 50 2.872 -2.417 -5.373 1.00 0.33 C ATOM 791 CD2 LEU A 50 3.251 -0.093 -4.548 1.00 0.32 C ATOM 0 H LEU A 50 -0.614 -1.106 -6.543 1.00 0.13 H new ATOM 0 HA LEU A 50 0.772 1.150 -5.585 1.00 0.14 H new ATOM 0 HB2 LEU A 50 1.469 -1.302 -7.193 1.00 0.18 H new ATOM 0 HB3 LEU A 50 2.655 -0.018 -7.070 1.00 0.18 H new ATOM 0 HG LEU A 50 1.382 -1.113 -4.581 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.191 -2.785 -4.398 1.00 0.33 H new ATOM 0 HD12 LEU A 50 2.129 -3.096 -5.792 1.00 0.33 H new ATOM 0 HD13 LEU A 50 3.733 -2.364 -6.040 1.00 0.33 H new ATOM 0 HD21 LEU A 50 3.562 -0.515 -3.592 1.00 0.32 H new ATOM 0 HD22 LEU A 50 4.123 0.035 -5.189 1.00 0.32 H new ATOM 0 HD23 LEU A 50 2.778 0.875 -4.381 1.00 0.32 H new ATOM 803 N THR A 51 0.289 1.048 -8.868 1.00 0.19 N ATOM 804 CA THR A 51 0.280 1.839 -10.107 1.00 0.23 C ATOM 805 C THR A 51 -0.835 2.902 -10.084 1.00 0.24 C ATOM 806 O THR A 51 -0.664 4.011 -10.598 1.00 0.32 O ATOM 807 CB THR A 51 0.108 0.908 -11.328 1.00 0.28 C ATOM 808 OG1 THR A 51 0.730 -0.357 -11.103 1.00 0.35 O ATOM 809 CG2 THR A 51 0.691 1.478 -12.607 1.00 0.34 C ATOM 0 H THR A 51 -0.092 0.108 -8.975 1.00 0.19 H new ATOM 0 HA THR A 51 1.235 2.358 -10.185 1.00 0.23 H new ATOM 0 HB THR A 51 -0.970 0.801 -11.449 1.00 0.28 H new ATOM 0 HG1 THR A 51 0.219 -0.859 -10.434 1.00 0.35 H new ATOM 0 HG21 THR A 51 0.535 0.773 -13.424 1.00 0.34 H new ATOM 0 HG22 THR A 51 0.198 2.421 -12.843 1.00 0.34 H new ATOM 0 HG23 THR A 51 1.759 1.650 -12.475 1.00 0.34 H new ATOM 817 N LYS A 52 -1.973 2.553 -9.469 1.00 0.20 N ATOM 818 CA LYS A 52 -3.136 3.448 -9.364 1.00 0.22 C ATOM 819 C LYS A 52 -2.864 4.643 -8.439 1.00 0.24 C ATOM 820 O LYS A 52 -3.343 5.749 -8.691 1.00 0.32 O ATOM 821 CB LYS A 52 -4.354 2.658 -8.848 1.00 0.22 C ATOM 822 CG LYS A 52 -5.647 3.470 -8.764 1.00 0.32 C ATOM 823 CD LYS A 52 -5.974 3.882 -7.329 1.00 0.46 C ATOM 824 CE LYS A 52 -6.831 5.141 -7.286 1.00 0.74 C ATOM 825 NZ LYS A 52 -6.069 6.355 -7.688 1.00 1.23 N ATOM 0 H LYS A 52 -2.114 1.643 -9.030 1.00 0.20 H new ATOM 0 HA LYS A 52 -3.340 3.842 -10.360 1.00 0.22 H new ATOM 0 HB2 LYS A 52 -4.519 1.802 -9.502 1.00 0.22 H new ATOM 0 HB3 LYS A 52 -4.123 2.263 -7.859 1.00 0.22 H new ATOM 0 HG2 LYS A 52 -5.556 4.361 -9.385 1.00 0.32 H new ATOM 0 HG3 LYS A 52 -6.471 2.882 -9.169 1.00 0.32 H new ATOM 0 HD2 LYS A 52 -6.497 3.068 -6.827 1.00 0.46 H new ATOM 0 HD3 LYS A 52 -5.048 4.053 -6.779 1.00 0.46 H new ATOM 0 HE2 LYS A 52 -7.689 5.017 -7.947 1.00 0.74 H new ATOM 0 HE3 LYS A 52 -7.223 5.277 -6.278 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 -5.964 6.986 -6.868 1.00 1.23 H new ATOM 0 HZ2 LYS A 52 -5.128 6.076 -8.033 1.00 1.23 H new ATOM 0 HZ3 LYS A 52 -6.582 6.852 -8.444 1.00 1.23 H new ATOM 839 N PHE A 53 -2.152 4.398 -7.334 1.00 0.23 N ATOM 840 CA PHE A 53 -1.850 5.445 -6.348 1.00 0.27 C ATOM 841 C PHE A 53 -0.516 6.148 -6.639 1.00 0.31 C ATOM 842 O PHE A 53 -0.281 7.259 -6.158 1.00 0.49 O ATOM 843 CB PHE A 53 -1.831 4.837 -4.932 1.00 0.25 C ATOM 844 CG PHE A 53 -3.203 4.529 -4.389 1.00 0.27 C ATOM 845 CD1 PHE A 53 -4.194 5.500 -4.369 1.00 1.24 C ATOM 846 CD2 PHE A 53 -3.504 3.263 -3.906 1.00 1.13 C ATOM 847 CE1 PHE A 53 -5.450 5.214 -3.876 1.00 1.27 C ATOM 848 CE2 PHE A 53 -4.757 2.977 -3.411 1.00 1.13 C ATOM 849 CZ PHE A 53 -5.732 3.951 -3.399 1.00 0.37 C ATOM 0 H PHE A 53 -1.772 3.481 -7.098 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.634 6.199 -6.416 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -1.241 3.920 -4.947 1.00 0.25 H new ATOM 0 HB3 PHE A 53 -1.328 5.528 -4.256 1.00 0.25 H new ATOM 0 HD1 PHE A 53 -3.980 6.490 -4.743 1.00 1.24 H new ATOM 0 HD2 PHE A 53 -2.747 2.493 -3.918 1.00 1.13 H new ATOM 0 HE1 PHE A 53 -6.212 5.979 -3.863 1.00 1.27 H new ATOM 0 HE2 PHE A 53 -4.976 1.989 -3.032 1.00 1.13 H new ATOM 0 HZ PHE A 53 -6.716 3.725 -3.016 1.00 0.37 H new ATOM 859 N GLY A 54 0.358 5.495 -7.412 1.00 0.27 N ATOM 860 CA GLY A 54 1.651 6.077 -7.751 1.00 0.32 C ATOM 861 C GLY A 54 2.654 5.962 -6.622 1.00 0.28 C ATOM 862 O GLY A 54 3.157 6.970 -6.120 1.00 0.32 O ATOM 0 H GLY A 54 0.191 4.571 -7.810 1.00 0.27 H new ATOM 0 HA2 GLY A 54 2.048 5.581 -8.637 1.00 0.32 H new ATOM 0 HA3 GLY A 54 1.517 7.128 -8.007 1.00 0.32 H new ATOM 866 N ALA A 55 2.917 4.728 -6.195 1.00 0.25 N ATOM 867 CA ALA A 55 3.860 4.465 -5.105 1.00 0.24 C ATOM 868 C ALA A 55 5.305 4.522 -5.597 1.00 0.25 C ATOM 869 O ALA A 55 5.602 4.122 -6.727 1.00 0.43 O ATOM 870 CB ALA A 55 3.573 3.111 -4.474 1.00 0.30 C ATOM 0 H ALA A 55 2.489 3.890 -6.588 1.00 0.25 H new ATOM 0 HA ALA A 55 3.729 5.243 -4.353 1.00 0.24 H new ATOM 0 HB1 ALA A 55 4.281 2.929 -3.666 1.00 0.30 H new ATOM 0 HB2 ALA A 55 2.558 3.103 -4.076 1.00 0.30 H new ATOM 0 HB3 ALA A 55 3.674 2.330 -5.227 1.00 0.30 H new ATOM 876 N VAL A 56 6.198 5.005 -4.733 1.00 0.22 N ATOM 877 CA VAL A 56 7.623 5.125 -5.055 1.00 0.26 C ATOM 878 C VAL A 56 8.476 4.353 -4.046 1.00 0.26 C ATOM 879 O VAL A 56 8.234 4.416 -2.841 1.00 0.39 O ATOM 880 CB VAL A 56 8.080 6.611 -5.077 1.00 0.34 C ATOM 881 CG1 VAL A 56 7.310 7.396 -6.136 1.00 0.55 C ATOM 882 CG2 VAL A 56 7.935 7.273 -3.704 1.00 0.44 C ATOM 0 H VAL A 56 5.957 5.323 -3.794 1.00 0.22 H new ATOM 0 HA VAL A 56 7.762 4.700 -6.049 1.00 0.26 H new ATOM 0 HB VAL A 56 9.139 6.622 -5.335 1.00 0.34 H new ATOM 0 HG11 VAL A 56 7.645 8.433 -6.135 1.00 0.55 H new ATOM 0 HG12 VAL A 56 7.491 6.957 -7.117 1.00 0.55 H new ATOM 0 HG13 VAL A 56 6.244 7.359 -5.913 1.00 0.55 H new ATOM 0 HG21 VAL A 56 8.265 8.310 -3.763 1.00 0.44 H new ATOM 0 HG22 VAL A 56 6.891 7.242 -3.394 1.00 0.44 H new ATOM 0 HG23 VAL A 56 8.546 6.739 -2.976 1.00 0.44 H new ATOM 892 N ARG A 57 9.476 3.626 -4.541 1.00 0.39 N ATOM 893 CA ARG A 57 10.393 2.890 -3.665 1.00 0.41 C ATOM 894 C ARG A 57 11.525 3.815 -3.217 1.00 0.46 C ATOM 895 O ARG A 57 12.097 4.543 -4.032 1.00 0.58 O ATOM 896 CB ARG A 57 10.965 1.661 -4.376 1.00 0.48 C ATOM 897 CG ARG A 57 9.907 0.685 -4.881 1.00 0.65 C ATOM 898 CD ARG A 57 10.500 -0.365 -5.816 1.00 0.87 C ATOM 899 NE ARG A 57 11.625 -1.078 -5.194 1.00 0.83 N ATOM 900 CZ ARG A 57 12.865 -1.140 -5.691 1.00 1.10 C ATOM 901 NH1 ARG A 57 13.172 -0.528 -6.827 1.00 1.87 N ATOM 902 NH2 ARG A 57 13.807 -1.809 -5.034 1.00 1.34 N ATOM 0 H ARG A 57 9.673 3.529 -5.537 1.00 0.39 H new ATOM 0 HA ARG A 57 9.838 2.545 -2.792 1.00 0.41 H new ATOM 0 HB2 ARG A 57 11.571 1.992 -5.220 1.00 0.48 H new ATOM 0 HB3 ARG A 57 11.631 1.136 -3.692 1.00 0.48 H new ATOM 0 HG2 ARG A 57 9.435 0.190 -4.032 1.00 0.65 H new ATOM 0 HG3 ARG A 57 9.125 1.236 -5.404 1.00 0.65 H new ATOM 0 HD2 ARG A 57 9.727 -1.080 -6.096 1.00 0.87 H new ATOM 0 HD3 ARG A 57 10.837 0.115 -6.734 1.00 0.87 H new ATOM 0 HE ARG A 57 11.446 -1.563 -4.315 1.00 0.83 H new ATOM 0 HH11 ARG A 57 12.459 -0.002 -7.332 1.00 1.87 H new ATOM 0 HH12 ARG A 57 14.122 -0.583 -7.195 1.00 1.87 H new ATOM 0 HH21 ARG A 57 13.583 -2.273 -4.154 1.00 1.34 H new ATOM 0 HH22 ARG A 57 14.754 -1.858 -5.410 1.00 1.34 H new ATOM 916 N THR A 58 11.828 3.803 -1.924 1.00 0.44 N ATOM 917 CA THR A 58 12.860 4.685 -1.369 1.00 0.54 C ATOM 918 C THR A 58 13.578 4.035 -0.180 1.00 0.50 C ATOM 919 O THR A 58 13.160 2.991 0.328 1.00 0.44 O ATOM 920 CB THR A 58 12.229 6.032 -0.958 1.00 0.69 C ATOM 921 OG1 THR A 58 13.229 6.994 -0.657 1.00 1.32 O ATOM 922 CG2 THR A 58 11.301 5.938 0.235 1.00 1.17 C ATOM 0 H THR A 58 11.378 3.196 -1.239 1.00 0.44 H new ATOM 0 HA THR A 58 13.609 4.862 -2.140 1.00 0.54 H new ATOM 0 HB THR A 58 11.639 6.336 -1.823 1.00 0.69 H new ATOM 0 HG1 THR A 58 12.804 7.839 -0.401 1.00 1.32 H new ATOM 0 HG21 THR A 58 10.898 6.925 0.461 1.00 1.17 H new ATOM 0 HG22 THR A 58 10.482 5.256 0.006 1.00 1.17 H new ATOM 0 HG23 THR A 58 11.854 5.565 1.097 1.00 1.17 H new ATOM 930 N ARG A 59 14.671 4.664 0.249 1.00 0.59 N ATOM 931 CA ARG A 59 15.463 4.188 1.381 1.00 0.63 C ATOM 932 C ARG A 59 14.922 4.757 2.699 1.00 0.69 C ATOM 933 O ARG A 59 14.679 5.964 2.803 1.00 0.83 O ATOM 934 CB ARG A 59 16.928 4.611 1.196 1.00 0.78 C ATOM 935 CG ARG A 59 17.830 3.514 0.645 1.00 1.38 C ATOM 936 CD ARG A 59 19.304 3.816 0.906 1.00 1.32 C ATOM 937 NE ARG A 59 19.889 4.664 -0.135 1.00 1.45 N ATOM 938 CZ ARG A 59 19.986 5.998 -0.074 1.00 1.72 C ATOM 939 NH1 ARG A 59 19.526 6.666 0.981 1.00 2.35 N ATOM 940 NH2 ARG A 59 20.536 6.652 -1.084 1.00 2.08 N ATOM 0 H ARG A 59 15.032 5.517 -0.178 1.00 0.59 H new ATOM 0 HA ARG A 59 15.397 3.101 1.421 1.00 0.63 H new ATOM 0 HB2 ARG A 59 16.965 5.468 0.524 1.00 0.78 H new ATOM 0 HB3 ARG A 59 17.323 4.942 2.156 1.00 0.78 H new ATOM 0 HG2 ARG A 59 17.566 2.561 1.103 1.00 1.38 H new ATOM 0 HG3 ARG A 59 17.664 3.409 -0.427 1.00 1.38 H new ATOM 0 HD2 ARG A 59 19.406 4.308 1.873 1.00 1.32 H new ATOM 0 HD3 ARG A 59 19.860 2.880 0.964 1.00 1.32 H new ATOM 0 HE ARG A 59 20.250 4.203 -0.970 1.00 1.45 H new ATOM 0 HH11 ARG A 59 19.094 6.162 1.755 1.00 2.35 H new ATOM 0 HH12 ARG A 59 19.606 7.682 1.016 1.00 2.35 H new ATOM 0 HH21 ARG A 59 20.880 6.140 -1.896 1.00 2.08 H new ATOM 0 HH22 ARG A 59 20.616 7.668 -1.050 1.00 2.08 H new ATOM 954 N ASN A 60 14.777 3.897 3.713 1.00 0.68 N ATOM 955 CA ASN A 60 14.297 4.328 5.040 1.00 0.81 C ATOM 956 C ASN A 60 15.473 4.764 5.933 1.00 0.95 C ATOM 957 O ASN A 60 16.451 5.333 5.444 1.00 1.04 O ATOM 958 CB ASN A 60 13.429 3.226 5.705 1.00 0.82 C ATOM 959 CG ASN A 60 14.169 1.926 6.008 1.00 0.78 C ATOM 960 OD1 ASN A 60 15.371 1.803 5.763 1.00 1.00 O ATOM 961 ND2 ASN A 60 13.448 0.944 6.535 1.00 0.83 N ATOM 0 H ASN A 60 14.983 2.900 3.645 1.00 0.68 H new ATOM 0 HA ASN A 60 13.655 5.199 4.908 1.00 0.81 H new ATOM 0 HB2 ASN A 60 13.017 3.619 6.635 1.00 0.82 H new ATOM 0 HB3 ASN A 60 12.585 3.004 5.052 1.00 0.82 H new ATOM 0 HD21 ASN A 60 13.887 0.049 6.752 1.00 0.83 H new ATOM 0 HD22 ASN A 60 12.455 1.084 6.723 1.00 0.83 H new ATOM 968 N ALA A 61 15.365 4.531 7.244 1.00 1.04 N ATOM 969 CA ALA A 61 16.416 4.919 8.195 1.00 1.20 C ATOM 970 C ALA A 61 17.663 4.036 8.073 1.00 1.20 C ATOM 971 O ALA A 61 18.779 4.506 8.296 1.00 1.38 O ATOM 972 CB ALA A 61 15.879 4.875 9.624 1.00 1.32 C ATOM 0 H ALA A 61 14.560 4.075 7.674 1.00 1.04 H new ATOM 0 HA ALA A 61 16.713 5.939 7.950 1.00 1.20 H new ATOM 0 HB1 ALA A 61 16.668 5.165 10.318 1.00 1.32 H new ATOM 0 HB2 ALA A 61 15.041 5.565 9.719 1.00 1.32 H new ATOM 0 HB3 ALA A 61 15.545 3.864 9.856 1.00 1.32 H new ATOM 978 N LYS A 62 17.469 2.755 7.738 1.00 1.07 N ATOM 979 CA LYS A 62 18.586 1.812 7.608 1.00 1.12 C ATOM 980 C LYS A 62 18.739 1.305 6.172 1.00 1.01 C ATOM 981 O LYS A 62 18.806 0.100 5.932 1.00 1.02 O ATOM 982 CB LYS A 62 18.413 0.643 8.586 1.00 1.21 C ATOM 983 CG LYS A 62 18.392 1.083 10.047 1.00 1.40 C ATOM 984 CD LYS A 62 18.746 -0.053 11.002 1.00 2.00 C ATOM 985 CE LYS A 62 17.717 -1.178 10.983 1.00 2.34 C ATOM 986 NZ LYS A 62 16.313 -0.677 11.033 1.00 2.62 N ATOM 0 H LYS A 62 16.552 2.349 7.553 1.00 1.07 H new ATOM 0 HA LYS A 62 19.503 2.346 7.859 1.00 1.12 H new ATOM 0 HB2 LYS A 62 17.485 0.120 8.357 1.00 1.21 H new ATOM 0 HB3 LYS A 62 19.225 -0.069 8.439 1.00 1.21 H new ATOM 0 HG2 LYS A 62 19.096 1.904 10.187 1.00 1.40 H new ATOM 0 HG3 LYS A 62 17.402 1.466 10.294 1.00 1.40 H new ATOM 0 HD2 LYS A 62 19.723 -0.455 10.736 1.00 2.00 H new ATOM 0 HD3 LYS A 62 18.829 0.341 12.015 1.00 2.00 H new ATOM 0 HE2 LYS A 62 17.853 -1.774 10.081 1.00 2.34 H new ATOM 0 HE3 LYS A 62 17.893 -1.839 11.831 1.00 2.34 H new ATOM 0 HZ1 LYS A 62 15.668 -1.470 11.222 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 16.223 0.030 11.790 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 16.067 -0.241 10.121 1.00 2.62 H new ATOM 1000 N MET A 63 18.832 2.259 5.239 1.00 0.97 N ATOM 1001 CA MET A 63 19.060 2.012 3.800 1.00 0.94 C ATOM 1002 C MET A 63 18.259 0.854 3.185 1.00 0.80 C ATOM 1003 O MET A 63 18.712 0.247 2.210 1.00 0.86 O ATOM 1004 CB MET A 63 20.559 1.803 3.508 1.00 1.12 C ATOM 1005 CG MET A 63 21.244 0.741 4.363 1.00 1.30 C ATOM 1006 SD MET A 63 22.895 0.331 3.763 1.00 2.18 S ATOM 1007 CE MET A 63 22.511 -0.752 2.386 1.00 3.12 C ATOM 0 H MET A 63 18.750 3.251 5.463 1.00 0.97 H new ATOM 0 HA MET A 63 18.688 2.917 3.319 1.00 0.94 H new ATOM 0 HB2 MET A 63 20.674 1.532 2.459 1.00 1.12 H new ATOM 0 HB3 MET A 63 21.077 2.752 3.651 1.00 1.12 H new ATOM 0 HG2 MET A 63 21.312 1.096 5.391 1.00 1.30 H new ATOM 0 HG3 MET A 63 20.632 -0.161 4.377 1.00 1.30 H new ATOM 0 HE1 MET A 63 23.086 -1.674 2.477 1.00 3.12 H new ATOM 0 HE2 MET A 63 21.446 -0.986 2.393 1.00 3.12 H new ATOM 0 HE3 MET A 63 22.767 -0.255 1.450 1.00 3.12 H new ATOM 1017 N GLU A 64 17.049 0.589 3.671 1.00 0.73 N ATOM 1018 CA GLU A 64 16.222 -0.466 3.084 1.00 0.64 C ATOM 1019 C GLU A 64 15.340 0.112 1.976 1.00 0.52 C ATOM 1020 O GLU A 64 14.588 1.061 2.211 1.00 0.49 O ATOM 1021 CB GLU A 64 15.349 -1.141 4.150 1.00 0.70 C ATOM 1022 CG GLU A 64 16.140 -1.916 5.198 1.00 0.88 C ATOM 1023 CD GLU A 64 16.161 -3.411 4.941 1.00 1.35 C ATOM 1024 OE1 GLU A 64 16.403 -3.811 3.783 1.00 1.79 O ATOM 1025 OE2 GLU A 64 15.938 -4.183 5.893 1.00 2.03 O ATOM 0 H GLU A 64 16.623 1.080 4.457 1.00 0.73 H new ATOM 0 HA GLU A 64 16.886 -1.219 2.659 1.00 0.64 H new ATOM 0 HB2 GLU A 64 14.751 -0.380 4.651 1.00 0.70 H new ATOM 0 HB3 GLU A 64 14.653 -1.821 3.658 1.00 0.70 H new ATOM 0 HG2 GLU A 64 17.164 -1.543 5.221 1.00 0.88 H new ATOM 0 HG3 GLU A 64 15.710 -1.728 6.182 1.00 0.88 H new ATOM 1032 N MET A 65 15.454 -0.451 0.771 1.00 0.52 N ATOM 1033 CA MET A 65 14.660 -0.007 -0.381 1.00 0.48 C ATOM 1034 C MET A 65 13.215 -0.494 -0.255 1.00 0.43 C ATOM 1035 O MET A 65 12.850 -1.531 -0.811 1.00 0.62 O ATOM 1036 CB MET A 65 15.287 -0.526 -1.687 1.00 0.58 C ATOM 1037 CG MET A 65 16.664 0.067 -1.986 1.00 0.71 C ATOM 1038 SD MET A 65 16.899 0.451 -3.732 1.00 1.38 S ATOM 1039 CE MET A 65 15.571 1.621 -4.015 1.00 1.18 C ATOM 0 H MET A 65 16.092 -1.220 0.565 1.00 0.52 H new ATOM 0 HA MET A 65 14.656 1.083 -0.402 1.00 0.48 H new ATOM 0 HB2 MET A 65 15.373 -1.611 -1.632 1.00 0.58 H new ATOM 0 HB3 MET A 65 14.616 -0.301 -2.516 1.00 0.58 H new ATOM 0 HG2 MET A 65 16.798 0.975 -1.398 1.00 0.71 H new ATOM 0 HG3 MET A 65 17.434 -0.636 -1.667 1.00 0.71 H new ATOM 0 HE1 MET A 65 15.891 2.365 -4.744 1.00 1.18 H new ATOM 0 HE2 MET A 65 14.696 1.093 -4.395 1.00 1.18 H new ATOM 0 HE3 MET A 65 15.317 2.117 -3.078 1.00 1.18 H new ATOM 1049 N VAL A 66 12.408 0.243 0.504 1.00 0.32 N ATOM 1050 CA VAL A 66 11.012 -0.123 0.740 1.00 0.28 C ATOM 1051 C VAL A 66 10.050 0.751 -0.069 1.00 0.25 C ATOM 1052 O VAL A 66 10.427 1.796 -0.603 1.00 0.30 O ATOM 1053 CB VAL A 66 10.650 -0.033 2.250 1.00 0.29 C ATOM 1054 CG1 VAL A 66 11.418 -1.085 3.047 1.00 0.32 C ATOM 1055 CG2 VAL A 66 10.932 1.363 2.803 1.00 0.31 C ATOM 0 H VAL A 66 12.698 1.103 0.969 1.00 0.32 H new ATOM 0 HA VAL A 66 10.902 -1.156 0.410 1.00 0.28 H new ATOM 0 HB VAL A 66 9.582 -0.227 2.351 1.00 0.29 H new ATOM 0 HG11 VAL A 66 11.153 -1.008 4.101 1.00 0.32 H new ATOM 0 HG12 VAL A 66 11.161 -2.079 2.680 1.00 0.32 H new ATOM 0 HG13 VAL A 66 12.489 -0.920 2.929 1.00 0.32 H new ATOM 0 HG21 VAL A 66 10.669 1.395 3.860 1.00 0.31 H new ATOM 0 HG22 VAL A 66 11.991 1.594 2.685 1.00 0.31 H new ATOM 0 HG23 VAL A 66 10.338 2.097 2.259 1.00 0.31 H new ATOM 1065 N TYR A 67 8.806 0.298 -0.155 1.00 0.23 N ATOM 1066 CA TYR A 67 7.744 1.028 -0.841 1.00 0.22 C ATOM 1067 C TYR A 67 7.246 2.175 0.037 1.00 0.23 C ATOM 1068 O TYR A 67 7.005 1.984 1.232 1.00 0.36 O ATOM 1069 CB TYR A 67 6.560 0.090 -1.145 1.00 0.22 C ATOM 1070 CG TYR A 67 6.595 -0.564 -2.512 1.00 0.20 C ATOM 1071 CD1 TYR A 67 6.828 0.182 -3.664 1.00 1.15 C ATOM 1072 CD2 TYR A 67 6.330 -1.920 -2.654 1.00 1.16 C ATOM 1073 CE1 TYR A 67 6.836 -0.414 -4.911 1.00 1.19 C ATOM 1074 CE2 TYR A 67 6.332 -2.523 -3.896 1.00 1.13 C ATOM 1075 CZ TYR A 67 6.586 -1.768 -5.023 1.00 0.26 C ATOM 1076 OH TYR A 67 6.591 -2.371 -6.260 1.00 0.32 O ATOM 0 H TYR A 67 8.503 -0.588 0.249 1.00 0.23 H new ATOM 0 HA TYR A 67 8.148 1.422 -1.774 1.00 0.22 H new ATOM 0 HB2 TYR A 67 6.531 -0.691 -0.386 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.634 0.657 -1.054 1.00 0.22 H new ATOM 0 HD1 TYR A 67 7.005 1.244 -3.582 1.00 1.15 H new ATOM 0 HD2 TYR A 67 6.119 -2.514 -1.777 1.00 1.16 H new ATOM 0 HE1 TYR A 67 7.037 0.176 -5.793 1.00 1.19 H new ATOM 0 HE2 TYR A 67 6.136 -3.581 -3.985 1.00 1.13 H new ATOM 0 HH TYR A 67 6.398 -3.327 -6.159 1.00 0.32 H new ATOM 1086 N CYS A 68 7.039 3.333 -0.570 1.00 0.17 N ATOM 1087 CA CYS A 68 6.501 4.495 0.131 1.00 0.17 C ATOM 1088 C CYS A 68 5.550 5.256 -0.776 1.00 0.20 C ATOM 1089 O CYS A 68 5.373 4.912 -1.950 1.00 0.27 O ATOM 1090 CB CYS A 68 7.627 5.416 0.632 1.00 0.16 C ATOM 1091 SG CYS A 68 7.130 6.564 1.942 1.00 1.61 S ATOM 0 H CYS A 68 7.237 3.497 -1.557 1.00 0.17 H new ATOM 0 HA CYS A 68 5.951 4.143 1.003 1.00 0.17 H new ATOM 0 HB2 CYS A 68 8.448 4.799 0.999 1.00 0.16 H new ATOM 0 HB3 CYS A 68 8.012 5.990 -0.211 1.00 0.16 H new ATOM 0 HG CYS A 68 8.150 7.290 2.293 1.00 1.61 H new ATOM 1097 N LEU A 69 4.918 6.277 -0.219 1.00 0.21 N ATOM 1098 CA LEU A 69 3.930 7.062 -0.951 1.00 0.25 C ATOM 1099 C LEU A 69 4.339 8.532 -1.073 1.00 0.30 C ATOM 1100 O LEU A 69 4.603 9.187 -0.059 1.00 0.41 O ATOM 1101 CB LEU A 69 2.573 6.968 -0.243 1.00 0.36 C ATOM 1102 CG LEU A 69 1.350 7.100 -1.152 1.00 0.48 C ATOM 1103 CD1 LEU A 69 1.343 6.003 -2.214 1.00 0.61 C ATOM 1104 CD2 LEU A 69 0.085 7.054 -0.320 1.00 0.94 C ATOM 0 H LEU A 69 5.071 6.584 0.742 1.00 0.21 H new ATOM 0 HA LEU A 69 3.862 6.651 -1.958 1.00 0.25 H new ATOM 0 HB2 LEU A 69 2.518 6.011 0.275 1.00 0.36 H new ATOM 0 HB3 LEU A 69 2.525 7.746 0.519 1.00 0.36 H new ATOM 0 HG LEU A 69 1.396 8.060 -1.667 1.00 0.48 H new ATOM 0 HD11 LEU A 69 0.464 6.117 -2.849 1.00 0.61 H new ATOM 0 HD12 LEU A 69 2.243 6.081 -2.823 1.00 0.61 H new ATOM 0 HD13 LEU A 69 1.316 5.027 -1.729 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.783 7.148 -0.972 1.00 0.94 H new ATOM 0 HD22 LEU A 69 0.036 6.106 0.215 1.00 0.94 H new ATOM 0 HD23 LEU A 69 0.091 7.875 0.397 1.00 0.94 H new ATOM 1116 N PRO A 70 4.327 9.103 -2.306 1.00 0.37 N ATOM 1117 CA PRO A 70 4.557 10.539 -2.523 1.00 0.51 C ATOM 1118 C PRO A 70 3.329 11.354 -2.084 1.00 0.71 C ATOM 1119 O PRO A 70 2.540 10.906 -1.246 1.00 1.00 O ATOM 1120 CB PRO A 70 4.794 10.649 -4.048 1.00 0.70 C ATOM 1121 CG PRO A 70 4.747 9.253 -4.578 1.00 0.64 C ATOM 1122 CD PRO A 70 3.979 8.443 -3.578 1.00 0.41 C ATOM 0 HA PRO A 70 5.394 10.931 -1.946 1.00 0.51 H new ATOM 0 HB2 PRO A 70 4.030 11.270 -4.517 1.00 0.70 H new ATOM 0 HB3 PRO A 70 5.757 11.114 -4.260 1.00 0.70 H new ATOM 0 HG2 PRO A 70 4.263 9.225 -5.554 1.00 0.64 H new ATOM 0 HG3 PRO A 70 5.753 8.854 -4.710 1.00 0.64 H new ATOM 0 HD2 PRO A 70 2.906 8.470 -3.770 1.00 0.41 H new ATOM 0 HD3 PRO A 70 4.278 7.395 -3.588 1.00 0.41 H new ATOM 1130 N ALA A 71 3.129 12.513 -2.697 1.00 0.96 N ATOM 1131 CA ALA A 71 1.949 13.341 -2.414 1.00 1.23 C ATOM 1132 C ALA A 71 0.654 12.595 -2.785 1.00 1.34 C ATOM 1133 O ALA A 71 0.663 11.710 -3.651 1.00 1.89 O ATOM 1134 CB ALA A 71 2.034 14.664 -3.168 1.00 1.66 C ATOM 0 H ALA A 71 3.763 12.906 -3.393 1.00 0.96 H new ATOM 0 HA ALA A 71 1.928 13.549 -1.344 1.00 1.23 H new ATOM 0 HB1 ALA A 71 1.152 15.266 -2.948 1.00 1.66 H new ATOM 0 HB2 ALA A 71 2.929 15.203 -2.857 1.00 1.66 H new ATOM 0 HB3 ALA A 71 2.082 14.470 -4.239 1.00 1.66 H new ATOM 1140 N GLU A 72 -0.449 12.942 -2.114 1.00 1.48 N ATOM 1141 CA GLU A 72 -1.760 12.317 -2.357 1.00 1.76 C ATOM 1142 C GLU A 72 -2.167 12.484 -3.831 1.00 1.89 C ATOM 1143 O GLU A 72 -2.467 13.593 -4.283 1.00 2.17 O ATOM 1144 CB GLU A 72 -2.832 12.916 -1.414 1.00 2.19 C ATOM 1145 CG GLU A 72 -2.412 14.213 -0.717 1.00 2.59 C ATOM 1146 CD GLU A 72 -1.523 13.980 0.488 1.00 3.17 C ATOM 1147 OE1 GLU A 72 -1.998 13.373 1.467 1.00 3.75 O ATOM 1148 OE2 GLU A 72 -0.345 14.388 0.444 1.00 3.59 O ATOM 0 H GLU A 72 -0.462 13.660 -1.390 1.00 1.48 H new ATOM 0 HA GLU A 72 -1.683 11.251 -2.144 1.00 1.76 H new ATOM 0 HB2 GLU A 72 -3.739 13.105 -1.989 1.00 2.19 H new ATOM 0 HB3 GLU A 72 -3.084 12.176 -0.655 1.00 2.19 H new ATOM 0 HG2 GLU A 72 -1.887 14.848 -1.431 1.00 2.59 H new ATOM 0 HG3 GLU A 72 -3.304 14.755 -0.403 1.00 2.59 H new ATOM 1155 N LEU A 73 -2.115 11.380 -4.582 1.00 2.03 N ATOM 1156 CA LEU A 73 -2.357 11.402 -6.022 1.00 2.45 C ATOM 1157 C LEU A 73 -3.791 11.012 -6.387 1.00 3.07 C ATOM 1158 O LEU A 73 -4.086 9.843 -6.654 1.00 3.39 O ATOM 1159 CB LEU A 73 -1.355 10.474 -6.733 1.00 2.45 C ATOM 1160 CG LEU A 73 -1.078 10.818 -8.205 1.00 2.84 C ATOM 1161 CD1 LEU A 73 -0.433 12.195 -8.325 1.00 3.20 C ATOM 1162 CD2 LEU A 73 -0.200 9.754 -8.850 1.00 3.46 C ATOM 0 H LEU A 73 -1.905 10.454 -4.210 1.00 2.03 H new ATOM 0 HA LEU A 73 -2.215 12.429 -6.358 1.00 2.45 H new ATOM 0 HB2 LEU A 73 -0.412 10.497 -6.187 1.00 2.45 H new ATOM 0 HB3 LEU A 73 -1.729 9.452 -6.679 1.00 2.45 H new ATOM 0 HG LEU A 73 -2.030 10.841 -8.735 1.00 2.84 H new ATOM 0 HD11 LEU A 73 -0.245 12.419 -9.375 1.00 3.20 H new ATOM 0 HD12 LEU A 73 -1.102 12.948 -7.908 1.00 3.20 H new ATOM 0 HD13 LEU A 73 0.510 12.204 -7.778 1.00 3.20 H new ATOM 0 HD21 LEU A 73 -0.016 10.017 -9.892 1.00 3.46 H new ATOM 0 HD22 LEU A 73 0.749 9.694 -8.318 1.00 3.46 H new ATOM 0 HD23 LEU A 73 -0.704 8.789 -8.803 1.00 3.46 H new ATOM 1174 N GLY A 74 -4.667 12.008 -6.419 1.00 3.54 N ATOM 1175 CA GLY A 74 -6.026 11.819 -6.915 1.00 4.27 C ATOM 1176 C GLY A 74 -6.079 12.191 -8.387 1.00 4.79 C ATOM 1177 O GLY A 74 -6.593 11.445 -9.222 1.00 5.47 O ATOM 0 H GLY A 74 -4.461 12.957 -6.107 1.00 3.54 H new ATOM 0 HA2 GLY A 74 -6.334 10.782 -6.779 1.00 4.27 H new ATOM 0 HA3 GLY A 74 -6.722 12.436 -6.347 1.00 4.27 H new ATOM 1181 N VAL A 75 -5.445 13.325 -8.689 1.00 4.77 N ATOM 1182 CA VAL A 75 -5.247 13.833 -10.044 1.00 5.51 C ATOM 1183 C VAL A 75 -3.905 14.579 -10.073 1.00 5.62 C ATOM 1184 O VAL A 75 -3.437 15.035 -9.025 1.00 5.34 O ATOM 1185 CB VAL A 75 -6.397 14.777 -10.499 1.00 5.98 C ATOM 1186 CG1 VAL A 75 -7.551 13.977 -11.091 1.00 6.16 C ATOM 1187 CG2 VAL A 75 -6.893 15.646 -9.345 1.00 6.50 C ATOM 0 H VAL A 75 -5.044 13.932 -7.975 1.00 4.77 H new ATOM 0 HA VAL A 75 -5.246 12.993 -10.739 1.00 5.51 H new ATOM 0 HB VAL A 75 -5.996 15.435 -11.270 1.00 5.98 H new ATOM 0 HG11 VAL A 75 -8.344 14.658 -11.402 1.00 6.16 H new ATOM 0 HG12 VAL A 75 -7.198 13.413 -11.954 1.00 6.16 H new ATOM 0 HG13 VAL A 75 -7.938 13.288 -10.341 1.00 6.16 H new ATOM 0 HG21 VAL A 75 -7.696 16.294 -9.696 1.00 6.50 H new ATOM 0 HG22 VAL A 75 -7.266 15.008 -8.543 1.00 6.50 H new ATOM 0 HG23 VAL A 75 -6.072 16.257 -8.971 1.00 6.50 H new ATOM 1197 N PRO A 76 -3.247 14.708 -11.255 1.00 6.42 N ATOM 1198 CA PRO A 76 -1.930 15.379 -11.383 1.00 6.97 C ATOM 1199 C PRO A 76 -1.835 16.709 -10.610 1.00 7.29 C ATOM 1200 O PRO A 76 -2.347 17.742 -11.050 1.00 7.83 O ATOM 1201 CB PRO A 76 -1.817 15.603 -12.894 1.00 7.90 C ATOM 1202 CG PRO A 76 -2.543 14.442 -13.481 1.00 8.03 C ATOM 1203 CD PRO A 76 -3.711 14.178 -12.560 1.00 7.16 C ATOM 0 HA PRO A 76 -1.124 14.782 -10.956 1.00 6.97 H new ATOM 0 HB2 PRO A 76 -2.268 16.549 -13.193 1.00 7.90 H new ATOM 0 HB3 PRO A 76 -0.777 15.629 -13.218 1.00 7.90 H new ATOM 0 HG2 PRO A 76 -2.885 14.665 -14.492 1.00 8.03 H new ATOM 0 HG3 PRO A 76 -1.894 13.569 -13.549 1.00 8.03 H new ATOM 0 HD2 PRO A 76 -4.614 14.684 -12.901 1.00 7.16 H new ATOM 0 HD3 PRO A 76 -3.944 13.115 -12.502 1.00 7.16 H new ATOM 1211 N THR A 77 -1.209 16.648 -9.433 1.00 7.25 N ATOM 1212 CA THR A 77 -1.075 17.801 -8.547 1.00 7.86 C ATOM 1213 C THR A 77 0.372 18.306 -8.522 1.00 8.48 C ATOM 1214 O THR A 77 1.324 17.526 -8.641 1.00 8.73 O ATOM 1215 CB THR A 77 -1.550 17.405 -7.125 1.00 7.90 C ATOM 1216 OG1 THR A 77 -1.466 18.505 -6.233 1.00 8.72 O ATOM 1217 CG2 THR A 77 -0.787 16.239 -6.495 1.00 7.87 C ATOM 0 H THR A 77 -0.781 15.797 -9.069 1.00 7.25 H new ATOM 0 HA THR A 77 -1.697 18.616 -8.919 1.00 7.86 H new ATOM 0 HB THR A 77 -2.581 17.085 -7.273 1.00 7.90 H new ATOM 0 HG1 THR A 77 -1.773 18.229 -5.344 1.00 8.72 H new ATOM 0 HG21 THR A 77 -1.189 16.035 -5.503 1.00 7.87 H new ATOM 0 HG22 THR A 77 -0.896 15.353 -7.120 1.00 7.87 H new ATOM 0 HG23 THR A 77 0.269 16.497 -6.412 1.00 7.87 H new ATOM 1225 N THR A 78 0.518 19.619 -8.371 1.00 9.01 N ATOM 1226 CA THR A 78 1.823 20.272 -8.307 1.00 9.88 C ATOM 1227 C THR A 78 1.823 21.296 -7.166 1.00 10.40 C ATOM 1228 O THR A 78 1.938 20.875 -5.996 1.00 10.57 O ATOM 1229 CB THR A 78 2.155 20.945 -9.658 1.00 10.27 C ATOM 1230 OG1 THR A 78 0.992 21.519 -10.250 1.00 10.30 O ATOM 1231 CG2 THR A 78 2.756 19.993 -10.673 1.00 10.39 C ATOM 1232 OXT THR A 78 1.640 22.497 -7.437 1.00 10.83 O ATOM 0 H THR A 78 -0.268 20.263 -8.289 1.00 9.01 H new ATOM 0 HA THR A 78 2.594 19.527 -8.110 1.00 9.88 H new ATOM 0 HB THR A 78 2.890 21.712 -9.414 1.00 10.27 H new ATOM 0 HG1 THR A 78 1.232 21.939 -11.102 1.00 10.30 H new ATOM 0 HG21 THR A 78 2.965 20.531 -11.598 1.00 10.39 H new ATOM 0 HG22 THR A 78 3.683 19.578 -10.278 1.00 10.39 H new ATOM 0 HG23 THR A 78 2.053 19.185 -10.874 1.00 10.39 H new TER 1240 THR A 78