USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -6:sc= 0.0608! USER MOD Single : A 4 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= -0.276 (180deg=-1.09) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 165:sc= -0.0211 (180deg=-0.238) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.3) USER MOD Single : A 34 GLN : amide:sc= -0.377 X(o=-0.38,f=-1.9e-05) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 40 ASN : amide:sc= -0.0371 X(o=-0.037,f=-0.037) USER MOD Single : A 42 ASN : amide:sc= 0.239 K(o=0.24,f=-3.9!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.00299 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.143) USER MOD Single : A 47 SER OG : rot -88:sc= 0.883 USER MOD Single : A 49 MET CE :methyl 158:sc= -0.0131 (180deg=-0.0278) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.101) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 60 ASN : amide:sc= 0.64 K(o=0.64,f=-7.4!) USER MOD Single : A 62 LYS NZ :NH3+ 157:sc= -0.0326 (180deg=-0.231) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -10:sc= -4.01! 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 -23.433 0.804 -2.134 1.00 10.84 N ATOM 2 CA MET A 1 -22.103 0.230 -2.448 1.00 10.16 C ATOM 3 C MET A 1 -21.736 0.482 -3.911 1.00 9.27 C ATOM 4 O MET A 1 -22.373 -0.054 -4.822 1.00 9.22 O ATOM 5 CB MET A 1 -22.135 -1.281 -2.151 1.00 10.59 C ATOM 6 CG MET A 1 -20.768 -1.953 -2.183 1.00 11.48 C ATOM 7 SD MET A 1 -20.857 -3.722 -1.852 1.00 11.94 S ATOM 8 CE MET A 1 -21.128 -4.364 -3.504 1.00 12.56 C ATOM 0 H1 MET A 1 -23.663 0.622 -1.136 1.00 10.84 H new ATOM 0 H2 MET A 1 -23.417 1.830 -2.304 1.00 10.84 H new ATOM 0 H3 MET A 1 -24.153 0.363 -2.741 1.00 10.84 H new ATOM 0 HA MET A 1 -21.344 0.710 -1.830 1.00 10.16 H new ATOM 0 HB2 MET A 1 -22.581 -1.437 -1.169 1.00 10.59 H new ATOM 0 HB3 MET A 1 -22.784 -1.769 -2.878 1.00 10.59 H new ATOM 0 HG2 MET A 1 -20.311 -1.792 -3.160 1.00 11.48 H new ATOM 0 HG3 MET A 1 -20.118 -1.481 -1.446 1.00 11.48 H new ATOM 0 HE1 MET A 1 -21.205 -5.451 -3.464 1.00 12.56 H new ATOM 0 HE2 MET A 1 -22.052 -3.950 -3.908 1.00 12.56 H new ATOM 0 HE3 MET A 1 -20.293 -4.083 -4.145 1.00 12.56 H new ATOM 20 N ARG A 2 -20.704 1.297 -4.128 1.00 8.82 N ATOM 21 CA ARG A 2 -20.228 1.610 -5.477 1.00 8.17 C ATOM 22 C ARG A 2 -18.821 2.207 -5.446 1.00 7.58 C ATOM 23 O ARG A 2 -17.978 1.870 -6.280 1.00 7.72 O ATOM 24 CB ARG A 2 -21.200 2.560 -6.208 1.00 8.58 C ATOM 25 CG ARG A 2 -21.762 3.694 -5.349 1.00 9.29 C ATOM 26 CD ARG A 2 -22.760 4.538 -6.132 1.00 9.46 C ATOM 27 NE ARG A 2 -23.994 3.798 -6.425 1.00 9.75 N ATOM 28 CZ ARG A 2 -24.678 3.877 -7.576 1.00 10.18 C ATOM 29 NH1 ARG A 2 -24.256 4.668 -8.559 1.00 10.36 N ATOM 30 NH2 ARG A 2 -25.781 3.162 -7.736 1.00 10.67 N ATOM 0 H ARG A 2 -20.179 1.755 -3.383 1.00 8.82 H new ATOM 0 HA ARG A 2 -20.187 0.672 -6.031 1.00 8.17 H new ATOM 0 HB2 ARG A 2 -20.685 2.994 -7.065 1.00 8.58 H new ATOM 0 HB3 ARG A 2 -22.032 1.974 -6.599 1.00 8.58 H new ATOM 0 HG2 ARG A 2 -22.248 3.278 -4.466 1.00 9.29 H new ATOM 0 HG3 ARG A 2 -20.946 4.325 -4.997 1.00 9.29 H new ATOM 0 HD2 ARG A 2 -23.002 5.435 -5.562 1.00 9.46 H new ATOM 0 HD3 ARG A 2 -22.304 4.866 -7.066 1.00 9.46 H new ATOM 0 HE ARG A 2 -24.357 3.179 -5.700 1.00 9.75 H new ATOM 0 HH11 ARG A 2 -23.407 5.220 -8.440 1.00 10.36 H new ATOM 0 HH12 ARG A 2 -24.782 4.722 -9.431 1.00 10.36 H new ATOM 0 HH21 ARG A 2 -26.108 2.554 -6.985 1.00 10.67 H new ATOM 0 HH22 ARG A 2 -26.304 3.220 -8.610 1.00 10.67 H new ATOM 44 N SER A 3 -18.579 3.104 -4.501 1.00 7.20 N ATOM 45 CA SER A 3 -17.270 3.756 -4.361 1.00 6.89 C ATOM 46 C SER A 3 -17.051 4.298 -2.940 1.00 5.94 C ATOM 47 O SER A 3 -16.043 3.991 -2.304 1.00 6.02 O ATOM 48 CB SER A 3 -17.121 4.908 -5.376 1.00 7.63 C ATOM 49 OG SER A 3 -17.335 4.471 -6.715 1.00 8.43 O ATOM 0 H SER A 3 -19.271 3.403 -3.813 1.00 7.20 H new ATOM 0 HA SER A 3 -16.514 2.996 -4.560 1.00 6.89 H new ATOM 0 HB2 SER A 3 -17.832 5.698 -5.135 1.00 7.63 H new ATOM 0 HB3 SER A 3 -16.124 5.340 -5.291 1.00 7.63 H new ATOM 0 HG SER A 3 -17.438 3.497 -6.729 1.00 8.43 H new ATOM 55 N SER A 4 -17.986 5.127 -2.466 1.00 5.38 N ATOM 56 CA SER A 4 -17.879 5.780 -1.164 1.00 4.74 C ATOM 57 C SER A 4 -18.271 4.851 -0.011 1.00 4.08 C ATOM 58 O SER A 4 -19.168 4.015 -0.138 1.00 4.43 O ATOM 59 CB SER A 4 -18.763 7.044 -1.133 1.00 5.40 C ATOM 60 OG SER A 4 -18.896 7.628 -2.424 1.00 6.32 O ATOM 0 H SER A 4 -18.837 5.362 -2.976 1.00 5.38 H new ATOM 0 HA SER A 4 -16.832 6.052 -1.026 1.00 4.74 H new ATOM 0 HB2 SER A 4 -19.750 6.788 -0.746 1.00 5.40 H new ATOM 0 HB3 SER A 4 -18.331 7.773 -0.447 1.00 5.40 H new ATOM 0 HG SER A 4 -19.464 8.425 -2.366 1.00 6.32 H new ATOM 66 N ALA A 5 -17.611 5.061 1.123 1.00 3.63 N ATOM 67 CA ALA A 5 -17.857 4.324 2.375 1.00 3.45 C ATOM 68 C ALA A 5 -17.382 2.868 2.312 1.00 2.57 C ATOM 69 O ALA A 5 -16.441 2.481 3.015 1.00 2.77 O ATOM 70 CB ALA A 5 -19.331 4.400 2.784 1.00 4.25 C ATOM 0 H ALA A 5 -16.874 5.761 1.208 1.00 3.63 H new ATOM 0 HA ALA A 5 -17.260 4.816 3.142 1.00 3.45 H new ATOM 0 HB1 ALA A 5 -19.480 3.847 3.711 1.00 4.25 H new ATOM 0 HB2 ALA A 5 -19.614 5.442 2.934 1.00 4.25 H new ATOM 0 HB3 ALA A 5 -19.949 3.965 1.999 1.00 4.25 H new ATOM 76 N LYS A 6 -18.069 2.055 1.508 1.00 2.17 N ATOM 77 CA LYS A 6 -17.757 0.629 1.390 1.00 1.92 C ATOM 78 C LYS A 6 -16.442 0.396 0.635 1.00 1.64 C ATOM 79 O LYS A 6 -16.266 0.848 -0.501 1.00 2.32 O ATOM 80 CB LYS A 6 -18.917 -0.128 0.709 1.00 2.86 C ATOM 81 CG LYS A 6 -19.987 -0.620 1.680 1.00 3.45 C ATOM 82 CD LYS A 6 -19.467 -1.744 2.573 1.00 4.36 C ATOM 83 CE LYS A 6 -20.551 -2.273 3.512 1.00 5.20 C ATOM 84 NZ LYS A 6 -21.343 -3.371 2.899 1.00 5.61 N ATOM 0 H LYS A 6 -18.849 2.361 0.926 1.00 2.17 H new ATOM 0 HA LYS A 6 -17.630 0.237 2.399 1.00 1.92 H new ATOM 0 HB2 LYS A 6 -19.382 0.526 -0.028 1.00 2.86 H new ATOM 0 HB3 LYS A 6 -18.512 -0.982 0.166 1.00 2.86 H new ATOM 0 HG2 LYS A 6 -20.325 0.210 2.300 1.00 3.45 H new ATOM 0 HG3 LYS A 6 -20.853 -0.972 1.119 1.00 3.45 H new ATOM 0 HD2 LYS A 6 -19.095 -2.559 1.952 1.00 4.36 H new ATOM 0 HD3 LYS A 6 -18.624 -1.381 3.160 1.00 4.36 H new ATOM 0 HE2 LYS A 6 -20.088 -2.632 4.432 1.00 5.20 H new ATOM 0 HE3 LYS A 6 -21.219 -1.457 3.788 1.00 5.20 H new ATOM 0 HZ1 LYS A 6 -22.065 -3.697 3.573 1.00 5.61 H new ATOM 0 HZ2 LYS A 6 -21.807 -3.024 2.035 1.00 5.61 H new ATOM 0 HZ3 LYS A 6 -20.712 -4.162 2.659 1.00 5.61 H new ATOM 98 N GLN A 7 -15.524 -0.300 1.304 1.00 1.12 N ATOM 99 CA GLN A 7 -14.216 -0.663 0.769 1.00 0.87 C ATOM 100 C GLN A 7 -13.233 0.512 0.650 1.00 0.74 C ATOM 101 O GLN A 7 -12.144 0.351 0.096 1.00 0.75 O ATOM 102 CB GLN A 7 -14.342 -1.421 -0.553 1.00 1.05 C ATOM 103 CG GLN A 7 -13.269 -2.486 -0.705 1.00 1.31 C ATOM 104 CD GLN A 7 -13.457 -3.668 0.238 1.00 1.15 C ATOM 105 OE1 GLN A 7 -14.526 -3.845 0.826 1.00 1.76 O ATOM 106 NE2 GLN A 7 -12.411 -4.469 0.415 1.00 1.09 N ATOM 0 H GLN A 7 -15.674 -0.634 2.256 1.00 1.12 H new ATOM 0 HA GLN A 7 -13.779 -1.331 1.511 1.00 0.87 H new ATOM 0 HB2 GLN A 7 -15.326 -1.887 -0.611 1.00 1.05 H new ATOM 0 HB3 GLN A 7 -14.274 -0.717 -1.382 1.00 1.05 H new ATOM 0 HG2 GLN A 7 -13.268 -2.847 -1.734 1.00 1.31 H new ATOM 0 HG3 GLN A 7 -12.292 -2.037 -0.524 1.00 1.31 H new ATOM 0 HE21 GLN A 7 -11.542 -4.292 -0.089 1.00 1.09 H new ATOM 0 HE22 GLN A 7 -12.477 -5.261 1.055 1.00 1.09 H new ATOM 115 N GLU A 8 -13.563 1.663 1.241 1.00 0.74 N ATOM 116 CA GLU A 8 -12.605 2.776 1.326 1.00 0.76 C ATOM 117 C GLU A 8 -11.615 2.520 2.482 1.00 0.68 C ATOM 118 O GLU A 8 -10.773 3.365 2.808 1.00 0.98 O ATOM 119 CB GLU A 8 -13.344 4.106 1.544 1.00 0.92 C ATOM 120 CG GLU A 8 -14.160 4.561 0.339 1.00 1.50 C ATOM 121 CD GLU A 8 -14.537 6.025 0.411 1.00 1.93 C ATOM 122 OE1 GLU A 8 -15.100 6.441 1.443 1.00 2.24 O ATOM 123 OE2 GLU A 8 -14.258 6.763 -0.552 1.00 2.61 O ATOM 0 H GLU A 8 -14.472 1.851 1.663 1.00 0.74 H new ATOM 0 HA GLU A 8 -12.053 2.840 0.388 1.00 0.76 H new ATOM 0 HB2 GLU A 8 -14.007 4.006 2.403 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -12.616 4.879 1.791 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -13.588 4.381 -0.571 1.00 1.50 H new ATOM 0 HG3 GLU A 8 -15.066 3.959 0.270 1.00 1.50 H new ATOM 130 N GLU A 9 -11.755 1.342 3.108 1.00 0.41 N ATOM 131 CA GLU A 9 -10.928 0.923 4.236 1.00 0.38 C ATOM 132 C GLU A 9 -9.709 0.146 3.749 1.00 0.34 C ATOM 133 O GLU A 9 -8.602 0.334 4.247 1.00 0.43 O ATOM 134 CB GLU A 9 -11.767 0.093 5.210 1.00 0.42 C ATOM 135 CG GLU A 9 -12.987 0.850 5.728 1.00 0.62 C ATOM 136 CD GLU A 9 -13.424 0.410 7.110 1.00 1.46 C ATOM 137 OE1 GLU A 9 -13.247 -0.778 7.440 1.00 2.23 O ATOM 138 OE2 GLU A 9 -13.923 1.262 7.870 1.00 2.19 O ATOM 0 H GLU A 9 -12.454 0.650 2.838 1.00 0.41 H new ATOM 0 HA GLU A 9 -10.564 1.806 4.762 1.00 0.38 H new ATOM 0 HB2 GLU A 9 -12.095 -0.821 4.714 1.00 0.42 H new ATOM 0 HB3 GLU A 9 -11.146 -0.208 6.054 1.00 0.42 H new ATOM 0 HG2 GLU A 9 -12.762 1.916 5.748 1.00 0.62 H new ATOM 0 HG3 GLU A 9 -13.814 0.711 5.032 1.00 0.62 H new ATOM 145 N LEU A 10 -9.895 -0.665 2.711 1.00 0.28 N ATOM 146 CA LEU A 10 -8.779 -1.364 2.076 1.00 0.29 C ATOM 147 C LEU A 10 -7.817 -0.339 1.457 1.00 0.26 C ATOM 148 O LEU A 10 -6.606 -0.543 1.444 1.00 0.30 O ATOM 149 CB LEU A 10 -9.302 -2.346 1.016 1.00 0.35 C ATOM 150 CG LEU A 10 -8.274 -2.853 -0.012 1.00 0.35 C ATOM 151 CD1 LEU A 10 -7.126 -3.577 0.680 1.00 0.60 C ATOM 152 CD2 LEU A 10 -8.943 -3.761 -1.034 1.00 1.01 C ATOM 0 H LEU A 10 -10.805 -0.855 2.292 1.00 0.28 H new ATOM 0 HA LEU A 10 -8.236 -1.940 2.825 1.00 0.29 H new ATOM 0 HB2 LEU A 10 -9.726 -3.209 1.529 1.00 0.35 H new ATOM 0 HB3 LEU A 10 -10.117 -1.864 0.476 1.00 0.35 H new ATOM 0 HG LEU A 10 -7.863 -1.990 -0.536 1.00 0.35 H new ATOM 0 HD11 LEU A 10 -6.413 -3.926 -0.067 1.00 0.60 H new ATOM 0 HD12 LEU A 10 -6.627 -2.894 1.367 1.00 0.60 H new ATOM 0 HD13 LEU A 10 -7.516 -4.430 1.235 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -8.201 -4.109 -1.752 1.00 1.01 H new ATOM 0 HD22 LEU A 10 -9.386 -4.617 -0.525 1.00 1.01 H new ATOM 0 HD23 LEU A 10 -9.722 -3.207 -1.558 1.00 1.01 H new ATOM 164 N VAL A 11 -8.365 0.799 1.014 1.00 0.26 N ATOM 165 CA VAL A 11 -7.554 1.867 0.429 1.00 0.29 C ATOM 166 C VAL A 11 -6.840 2.696 1.506 1.00 0.29 C ATOM 167 O VAL A 11 -5.628 2.842 1.441 1.00 0.37 O ATOM 168 CB VAL A 11 -8.392 2.801 -0.489 1.00 0.36 C ATOM 169 CG1 VAL A 11 -7.614 4.058 -0.875 1.00 0.43 C ATOM 170 CG2 VAL A 11 -8.839 2.056 -1.741 1.00 0.49 C ATOM 0 H VAL A 11 -9.364 1.001 1.050 1.00 0.26 H new ATOM 0 HA VAL A 11 -6.800 1.374 -0.184 1.00 0.29 H new ATOM 0 HB VAL A 11 -9.272 3.112 0.075 1.00 0.36 H new ATOM 0 HG11 VAL A 11 -8.232 4.686 -1.517 1.00 0.43 H new ATOM 0 HG12 VAL A 11 -7.347 4.611 0.025 1.00 0.43 H new ATOM 0 HG13 VAL A 11 -6.707 3.775 -1.409 1.00 0.43 H new ATOM 0 HG21 VAL A 11 -9.424 2.724 -2.373 1.00 0.49 H new ATOM 0 HG22 VAL A 11 -7.964 1.711 -2.291 1.00 0.49 H new ATOM 0 HG23 VAL A 11 -9.449 1.199 -1.456 1.00 0.49 H new ATOM 180 N LYS A 12 -7.578 3.246 2.492 1.00 0.26 N ATOM 181 CA LYS A 12 -6.961 4.059 3.553 1.00 0.30 C ATOM 182 C LYS A 12 -5.833 3.297 4.247 1.00 0.27 C ATOM 183 O LYS A 12 -4.733 3.821 4.447 1.00 0.32 O ATOM 184 CB LYS A 12 -8.027 4.520 4.546 1.00 0.38 C ATOM 185 CG LYS A 12 -8.736 3.410 5.303 1.00 1.15 C ATOM 186 CD LYS A 12 -8.074 3.189 6.643 1.00 2.01 C ATOM 187 CE LYS A 12 -8.334 1.798 7.227 1.00 2.92 C ATOM 188 NZ LYS A 12 -9.563 1.745 8.065 1.00 3.46 N ATOM 0 H LYS A 12 -8.589 3.142 2.573 1.00 0.26 H new ATOM 0 HA LYS A 12 -6.514 4.944 3.100 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -7.561 5.189 5.269 1.00 0.38 H new ATOM 0 HB3 LYS A 12 -8.773 5.103 4.007 1.00 0.38 H new ATOM 0 HG2 LYS A 12 -9.785 3.669 5.446 1.00 1.15 H new ATOM 0 HG3 LYS A 12 -8.712 2.489 4.720 1.00 1.15 H new ATOM 0 HD2 LYS A 12 -6.999 3.336 6.538 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -8.431 3.942 7.345 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -8.423 1.078 6.413 1.00 2.92 H new ATOM 0 HE3 LYS A 12 -7.477 1.495 7.828 1.00 2.92 H new ATOM 0 HZ1 LYS A 12 -9.690 0.781 8.434 1.00 3.46 H new ATOM 0 HZ2 LYS A 12 -9.471 2.410 8.859 1.00 3.46 H new ATOM 0 HZ3 LYS A 12 -10.388 2.006 7.488 1.00 3.46 H new ATOM 202 N ALA A 13 -6.096 2.022 4.501 1.00 0.25 N ATOM 203 CA ALA A 13 -5.104 1.102 5.075 1.00 0.26 C ATOM 204 C ALA A 13 -3.883 0.957 4.147 1.00 0.22 C ATOM 205 O ALA A 13 -2.749 1.122 4.588 1.00 0.22 O ATOM 206 CB ALA A 13 -5.731 -0.266 5.344 1.00 0.30 C ATOM 0 H ALA A 13 -7.001 1.589 4.317 1.00 0.25 H new ATOM 0 HA ALA A 13 -4.765 1.523 6.022 1.00 0.26 H new ATOM 0 HB1 ALA A 13 -4.981 -0.933 5.769 1.00 0.30 H new ATOM 0 HB2 ALA A 13 -6.558 -0.156 6.046 1.00 0.30 H new ATOM 0 HB3 ALA A 13 -6.102 -0.686 4.409 1.00 0.30 H new ATOM 212 N PHE A 14 -4.143 0.695 2.854 1.00 0.21 N ATOM 213 CA PHE A 14 -3.090 0.563 1.822 1.00 0.19 C ATOM 214 C PHE A 14 -2.134 1.762 1.834 1.00 0.17 C ATOM 215 O PHE A 14 -0.921 1.605 2.004 1.00 0.21 O ATOM 216 CB PHE A 14 -3.744 0.428 0.434 1.00 0.19 C ATOM 217 CG PHE A 14 -2.795 0.030 -0.675 1.00 0.17 C ATOM 218 CD1 PHE A 14 -2.558 -1.307 -0.957 1.00 1.22 C ATOM 219 CD2 PHE A 14 -2.162 0.993 -1.452 1.00 1.16 C ATOM 220 CE1 PHE A 14 -1.704 -1.675 -1.974 1.00 1.21 C ATOM 221 CE2 PHE A 14 -1.299 0.623 -2.471 1.00 1.17 C ATOM 222 CZ PHE A 14 -1.069 -0.711 -2.726 1.00 0.16 C ATOM 0 H PHE A 14 -5.088 0.568 2.491 1.00 0.21 H new ATOM 0 HA PHE A 14 -2.506 -0.330 2.046 1.00 0.19 H new ATOM 0 HB2 PHE A 14 -4.542 -0.312 0.494 1.00 0.19 H new ATOM 0 HB3 PHE A 14 -4.209 1.378 0.172 1.00 0.19 H new ATOM 0 HD1 PHE A 14 -3.049 -2.070 -0.372 1.00 1.22 H new ATOM 0 HD2 PHE A 14 -2.345 2.040 -1.260 1.00 1.16 H new ATOM 0 HE1 PHE A 14 -1.532 -2.721 -2.182 1.00 1.21 H new ATOM 0 HE2 PHE A 14 -0.807 1.380 -3.065 1.00 1.17 H new ATOM 0 HZ PHE A 14 -0.391 -1.001 -3.515 1.00 0.16 H new ATOM 232 N LYS A 15 -2.707 2.964 1.709 1.00 0.17 N ATOM 233 CA LYS A 15 -1.928 4.221 1.735 1.00 0.17 C ATOM 234 C LYS A 15 -1.015 4.293 2.974 1.00 0.14 C ATOM 235 O LYS A 15 0.171 4.611 2.869 1.00 0.14 O ATOM 236 CB LYS A 15 -2.852 5.462 1.735 1.00 0.25 C ATOM 237 CG LYS A 15 -3.963 5.471 0.685 1.00 0.64 C ATOM 238 CD LYS A 15 -3.426 5.611 -0.741 1.00 0.58 C ATOM 239 CE LYS A 15 -4.302 6.516 -1.616 1.00 0.82 C ATOM 240 NZ LYS A 15 -4.559 7.838 -0.990 1.00 0.93 N ATOM 0 H LYS A 15 -3.711 3.100 1.588 1.00 0.17 H new ATOM 0 HA LYS A 15 -1.318 4.222 0.832 1.00 0.17 H new ATOM 0 HB2 LYS A 15 -3.310 5.549 2.720 1.00 0.25 H new ATOM 0 HB3 LYS A 15 -2.236 6.349 1.590 1.00 0.25 H new ATOM 0 HG2 LYS A 15 -4.539 4.549 0.763 1.00 0.64 H new ATOM 0 HG3 LYS A 15 -4.648 6.293 0.893 1.00 0.64 H new ATOM 0 HD2 LYS A 15 -2.414 6.015 -0.706 1.00 0.58 H new ATOM 0 HD3 LYS A 15 -3.359 4.624 -1.199 1.00 0.58 H new ATOM 0 HE2 LYS A 15 -3.817 6.663 -2.581 1.00 0.82 H new ATOM 0 HE3 LYS A 15 -5.252 6.019 -1.810 1.00 0.82 H new ATOM 0 HZ1 LYS A 15 -4.682 8.556 -1.733 1.00 0.93 H new ATOM 0 HZ2 LYS A 15 -5.422 7.787 -0.412 1.00 0.93 H new ATOM 0 HZ3 LYS A 15 -3.753 8.099 -0.386 1.00 0.93 H new ATOM 254 N ALA A 16 -1.589 3.978 4.141 1.00 0.15 N ATOM 255 CA ALA A 16 -0.867 4.007 5.425 1.00 0.16 C ATOM 256 C ALA A 16 0.290 2.998 5.464 1.00 0.15 C ATOM 257 O ALA A 16 1.376 3.319 5.948 1.00 0.18 O ATOM 258 CB ALA A 16 -1.832 3.756 6.587 1.00 0.20 C ATOM 0 H ALA A 16 -2.566 3.696 4.225 1.00 0.15 H new ATOM 0 HA ALA A 16 -0.433 5.002 5.528 1.00 0.16 H new ATOM 0 HB1 ALA A 16 -1.283 3.781 7.528 1.00 0.20 H new ATOM 0 HB2 ALA A 16 -2.601 4.529 6.595 1.00 0.20 H new ATOM 0 HB3 ALA A 16 -2.301 2.779 6.466 1.00 0.20 H new ATOM 264 N LEU A 17 0.052 1.784 4.947 1.00 0.15 N ATOM 265 CA LEU A 17 1.082 0.731 4.904 1.00 0.17 C ATOM 266 C LEU A 17 2.331 1.204 4.156 1.00 0.15 C ATOM 267 O LEU A 17 3.457 0.990 4.607 1.00 0.19 O ATOM 268 CB LEU A 17 0.542 -0.546 4.234 1.00 0.21 C ATOM 269 CG LEU A 17 -0.580 -1.275 4.987 1.00 0.25 C ATOM 270 CD1 LEU A 17 -0.599 -2.744 4.607 1.00 0.27 C ATOM 271 CD2 LEU A 17 -0.439 -1.129 6.498 1.00 0.33 C ATOM 0 H LEU A 17 -0.846 1.505 4.552 1.00 0.15 H new ATOM 0 HA LEU A 17 1.352 0.507 5.936 1.00 0.17 H new ATOM 0 HB2 LEU A 17 0.177 -0.285 3.241 1.00 0.21 H new ATOM 0 HB3 LEU A 17 1.371 -1.240 4.097 1.00 0.21 H new ATOM 0 HG LEU A 17 -1.523 -0.813 4.696 1.00 0.25 H new ATOM 0 HD11 LEU A 17 -1.399 -3.249 5.148 1.00 0.27 H new ATOM 0 HD12 LEU A 17 -0.769 -2.840 3.535 1.00 0.27 H new ATOM 0 HD13 LEU A 17 0.357 -3.199 4.865 1.00 0.27 H new ATOM 0 HD21 LEU A 17 -1.253 -1.659 6.992 1.00 0.33 H new ATOM 0 HD22 LEU A 17 0.515 -1.550 6.817 1.00 0.33 H new ATOM 0 HD23 LEU A 17 -0.478 -0.073 6.767 1.00 0.33 H new ATOM 283 N LEU A 18 2.117 1.859 3.014 1.00 0.12 N ATOM 284 CA LEU A 18 3.224 2.394 2.209 1.00 0.12 C ATOM 285 C LEU A 18 3.896 3.580 2.906 1.00 0.13 C ATOM 286 O LEU A 18 5.112 3.609 3.079 1.00 0.15 O ATOM 287 CB LEU A 18 2.725 2.832 0.827 1.00 0.12 C ATOM 288 CG LEU A 18 1.964 1.771 0.026 1.00 0.13 C ATOM 289 CD1 LEU A 18 1.184 2.438 -1.090 1.00 0.22 C ATOM 290 CD2 LEU A 18 2.913 0.718 -0.537 1.00 0.15 C ATOM 0 H LEU A 18 1.191 2.033 2.624 1.00 0.12 H new ATOM 0 HA LEU A 18 3.957 1.596 2.092 1.00 0.12 H new ATOM 0 HB2 LEU A 18 2.077 3.699 0.954 1.00 0.12 H new ATOM 0 HB3 LEU A 18 3.582 3.159 0.239 1.00 0.12 H new ATOM 0 HG LEU A 18 1.269 1.263 0.695 1.00 0.13 H new ATOM 0 HD11 LEU A 18 0.643 1.681 -1.659 1.00 0.22 H new ATOM 0 HD12 LEU A 18 0.475 3.148 -0.664 1.00 0.22 H new ATOM 0 HD13 LEU A 18 1.873 2.965 -1.750 1.00 0.22 H new ATOM 0 HD21 LEU A 18 2.343 -0.021 -1.100 1.00 0.15 H new ATOM 0 HD22 LEU A 18 3.638 1.196 -1.196 1.00 0.15 H new ATOM 0 HD23 LEU A 18 3.437 0.225 0.282 1.00 0.15 H new ATOM 302 N LYS A 19 3.082 4.548 3.326 1.00 0.17 N ATOM 303 CA LYS A 19 3.576 5.767 3.973 1.00 0.21 C ATOM 304 C LYS A 19 4.328 5.493 5.290 1.00 0.24 C ATOM 305 O LYS A 19 5.109 6.332 5.743 1.00 0.32 O ATOM 306 CB LYS A 19 2.412 6.735 4.194 1.00 0.23 C ATOM 307 CG LYS A 19 1.808 7.243 2.885 1.00 0.25 C ATOM 308 CD LYS A 19 0.523 8.035 3.118 1.00 0.38 C ATOM 309 CE LYS A 19 0.702 9.520 2.814 1.00 0.80 C ATOM 310 NZ LYS A 19 1.639 10.182 3.761 1.00 1.39 N ATOM 0 H LYS A 19 2.067 4.512 3.229 1.00 0.17 H new ATOM 0 HA LYS A 19 4.308 6.219 3.304 1.00 0.21 H new ATOM 0 HB2 LYS A 19 1.637 6.237 4.777 1.00 0.23 H new ATOM 0 HB3 LYS A 19 2.758 7.584 4.783 1.00 0.23 H new ATOM 0 HG2 LYS A 19 2.534 7.873 2.371 1.00 0.25 H new ATOM 0 HG3 LYS A 19 1.599 6.397 2.230 1.00 0.25 H new ATOM 0 HD2 LYS A 19 -0.271 7.630 2.491 1.00 0.38 H new ATOM 0 HD3 LYS A 19 0.205 7.913 4.153 1.00 0.38 H new ATOM 0 HE2 LYS A 19 1.074 9.638 1.796 1.00 0.80 H new ATOM 0 HE3 LYS A 19 -0.267 10.017 2.858 1.00 0.80 H new ATOM 0 HZ1 LYS A 19 1.728 11.188 3.514 1.00 1.39 H new ATOM 0 HZ2 LYS A 19 1.273 10.094 4.730 1.00 1.39 H new ATOM 0 HZ3 LYS A 19 2.572 9.727 3.701 1.00 1.39 H new ATOM 324 N GLU A 20 4.128 4.305 5.876 1.00 0.26 N ATOM 325 CA GLU A 20 4.847 3.901 7.095 1.00 0.30 C ATOM 326 C GLU A 20 6.310 3.529 6.783 1.00 0.27 C ATOM 327 O GLU A 20 7.164 3.544 7.676 1.00 0.30 O ATOM 328 CB GLU A 20 4.137 2.710 7.769 1.00 0.39 C ATOM 329 CG GLU A 20 2.968 3.112 8.671 1.00 0.48 C ATOM 330 CD GLU A 20 3.220 2.831 10.140 1.00 1.05 C ATOM 331 OE1 GLU A 20 4.037 3.547 10.752 1.00 1.76 O ATOM 332 OE2 GLU A 20 2.598 1.898 10.681 1.00 1.75 O ATOM 0 H GLU A 20 3.474 3.605 5.526 1.00 0.26 H new ATOM 0 HA GLU A 20 4.847 4.751 7.777 1.00 0.30 H new ATOM 0 HB2 GLU A 20 3.771 2.034 6.996 1.00 0.39 H new ATOM 0 HB3 GLU A 20 4.864 2.154 8.360 1.00 0.39 H new ATOM 0 HG2 GLU A 20 2.767 4.175 8.541 1.00 0.48 H new ATOM 0 HG3 GLU A 20 2.073 2.577 8.354 1.00 0.48 H new ATOM 339 N GLU A 21 6.577 3.173 5.515 1.00 0.24 N ATOM 340 CA GLU A 21 7.922 2.800 5.043 1.00 0.26 C ATOM 341 C GLU A 21 8.426 1.526 5.742 1.00 0.28 C ATOM 342 O GLU A 21 9.319 1.578 6.594 1.00 0.42 O ATOM 343 CB GLU A 21 8.913 3.968 5.224 1.00 0.28 C ATOM 344 CG GLU A 21 8.338 5.328 4.821 1.00 0.33 C ATOM 345 CD GLU A 21 9.386 6.297 4.309 1.00 0.44 C ATOM 346 OE1 GLU A 21 10.461 6.398 4.931 1.00 1.17 O ATOM 347 OE2 GLU A 21 9.125 6.973 3.293 1.00 1.19 O ATOM 0 H GLU A 21 5.864 3.136 4.786 1.00 0.24 H new ATOM 0 HA GLU A 21 7.854 2.582 3.977 1.00 0.26 H new ATOM 0 HB2 GLU A 21 9.225 4.010 6.267 1.00 0.28 H new ATOM 0 HB3 GLU A 21 9.806 3.771 4.631 1.00 0.28 H new ATOM 0 HG2 GLU A 21 7.582 5.180 4.049 1.00 0.33 H new ATOM 0 HG3 GLU A 21 7.834 5.770 5.680 1.00 0.33 H new ATOM 354 N LYS A 22 7.837 0.388 5.368 1.00 0.24 N ATOM 355 CA LYS A 22 8.179 -0.915 5.954 1.00 0.27 C ATOM 356 C LYS A 22 8.205 -2.015 4.888 1.00 0.33 C ATOM 357 O LYS A 22 9.144 -2.807 4.820 1.00 0.74 O ATOM 358 CB LYS A 22 7.167 -1.268 7.067 1.00 0.37 C ATOM 359 CG LYS A 22 7.013 -2.765 7.347 1.00 0.95 C ATOM 360 CD LYS A 22 6.353 -3.029 8.696 1.00 1.24 C ATOM 361 CE LYS A 22 6.017 -4.507 8.872 1.00 1.69 C ATOM 362 NZ LYS A 22 7.189 -5.375 8.578 1.00 2.44 N ATOM 0 H LYS A 22 7.111 0.341 4.653 1.00 0.24 H new ATOM 0 HA LYS A 22 9.178 -0.847 6.384 1.00 0.27 H new ATOM 0 HB2 LYS A 22 7.473 -0.771 7.987 1.00 0.37 H new ATOM 0 HB3 LYS A 22 6.193 -0.862 6.794 1.00 0.37 H new ATOM 0 HG2 LYS A 22 6.418 -3.222 6.557 1.00 0.95 H new ATOM 0 HG3 LYS A 22 7.993 -3.241 7.324 1.00 0.95 H new ATOM 0 HD2 LYS A 22 7.018 -2.708 9.497 1.00 1.24 H new ATOM 0 HD3 LYS A 22 5.443 -2.435 8.780 1.00 1.24 H new ATOM 0 HE2 LYS A 22 5.679 -4.685 9.893 1.00 1.69 H new ATOM 0 HE3 LYS A 22 5.191 -4.774 8.212 1.00 1.69 H new ATOM 0 HZ1 LYS A 22 7.013 -6.332 8.945 1.00 2.44 H new ATOM 0 HZ2 LYS A 22 7.338 -5.420 7.550 1.00 2.44 H new ATOM 0 HZ3 LYS A 22 8.036 -4.980 9.034 1.00 2.44 H new ATOM 376 N PHE A 23 7.146 -2.086 4.086 1.00 0.25 N ATOM 377 CA PHE A 23 7.000 -3.134 3.070 1.00 0.25 C ATOM 378 C PHE A 23 7.854 -2.857 1.836 1.00 0.23 C ATOM 379 O PHE A 23 7.767 -1.788 1.240 1.00 0.30 O ATOM 380 CB PHE A 23 5.531 -3.258 2.677 1.00 0.36 C ATOM 381 CG PHE A 23 4.629 -3.362 3.881 1.00 0.34 C ATOM 382 CD1 PHE A 23 4.510 -4.555 4.581 1.00 1.22 C ATOM 383 CD2 PHE A 23 3.999 -2.239 4.382 1.00 1.25 C ATOM 384 CE1 PHE A 23 3.727 -4.635 5.718 1.00 1.21 C ATOM 385 CE2 PHE A 23 3.216 -2.312 5.518 1.00 1.27 C ATOM 386 CZ PHE A 23 3.078 -3.512 6.186 1.00 0.35 C ATOM 0 H PHE A 23 6.369 -1.426 4.118 1.00 0.25 H new ATOM 0 HA PHE A 23 7.350 -4.072 3.500 1.00 0.25 H new ATOM 0 HB2 PHE A 23 5.241 -2.393 2.081 1.00 0.36 H new ATOM 0 HB3 PHE A 23 5.398 -4.138 2.047 1.00 0.36 H new ATOM 0 HD1 PHE A 23 5.036 -5.432 4.233 1.00 1.22 H new ATOM 0 HD2 PHE A 23 4.120 -1.291 3.879 1.00 1.25 H new ATOM 0 HE1 PHE A 23 3.624 -5.576 6.239 1.00 1.21 H new ATOM 0 HE2 PHE A 23 2.712 -1.430 5.884 1.00 1.27 H new ATOM 0 HZ PHE A 23 2.464 -3.571 7.072 1.00 0.35 H new ATOM 396 N SER A 24 8.647 -3.847 1.441 1.00 0.22 N ATOM 397 CA SER A 24 9.555 -3.728 0.290 1.00 0.27 C ATOM 398 C SER A 24 8.960 -4.332 -0.989 1.00 0.26 C ATOM 399 O SER A 24 9.333 -3.937 -2.098 1.00 0.44 O ATOM 400 CB SER A 24 10.913 -4.392 0.617 1.00 0.37 C ATOM 401 OG SER A 24 10.787 -5.394 1.623 1.00 1.04 O ATOM 0 H SER A 24 8.684 -4.755 1.904 1.00 0.22 H new ATOM 0 HA SER A 24 9.704 -2.665 0.101 1.00 0.27 H new ATOM 0 HB2 SER A 24 11.327 -4.837 -0.288 1.00 0.37 H new ATOM 0 HB3 SER A 24 11.619 -3.631 0.950 1.00 0.37 H new ATOM 0 HG SER A 24 11.665 -5.791 1.801 1.00 1.04 H new ATOM 407 N SER A 25 8.044 -5.288 -0.832 1.00 0.21 N ATOM 408 CA SER A 25 7.417 -5.969 -1.971 1.00 0.22 C ATOM 409 C SER A 25 5.887 -5.933 -1.877 1.00 0.20 C ATOM 410 O SER A 25 5.316 -5.587 -0.840 1.00 0.24 O ATOM 411 CB SER A 25 7.922 -7.426 -2.064 1.00 0.31 C ATOM 412 OG SER A 25 8.175 -7.980 -0.780 1.00 0.43 O ATOM 0 H SER A 25 7.716 -5.612 0.078 1.00 0.21 H new ATOM 0 HA SER A 25 7.702 -5.437 -2.879 1.00 0.22 H new ATOM 0 HB2 SER A 25 7.182 -8.035 -2.583 1.00 0.31 H new ATOM 0 HB3 SER A 25 8.834 -7.457 -2.659 1.00 0.31 H new ATOM 0 HG SER A 25 8.491 -8.902 -0.878 1.00 0.43 H new ATOM 418 N GLN A 26 5.242 -6.293 -2.987 1.00 0.22 N ATOM 419 CA GLN A 26 3.779 -6.351 -3.095 1.00 0.23 C ATOM 420 C GLN A 26 3.209 -7.407 -2.141 1.00 0.27 C ATOM 421 O GLN A 26 2.476 -7.080 -1.212 1.00 0.44 O ATOM 422 CB GLN A 26 3.385 -6.678 -4.547 1.00 0.33 C ATOM 423 CG GLN A 26 4.291 -6.040 -5.604 1.00 0.48 C ATOM 424 CD GLN A 26 3.924 -6.429 -7.024 1.00 0.76 C ATOM 425 OE1 GLN A 26 3.387 -7.509 -7.265 1.00 1.53 O ATOM 426 NE2 GLN A 26 4.229 -5.559 -7.973 1.00 0.81 N ATOM 0 H GLN A 26 5.723 -6.556 -3.847 1.00 0.22 H new ATOM 0 HA GLN A 26 3.364 -5.382 -2.817 1.00 0.23 H new ATOM 0 HB2 GLN A 26 3.397 -7.760 -4.680 1.00 0.33 H new ATOM 0 HB3 GLN A 26 2.360 -6.348 -4.716 1.00 0.33 H new ATOM 0 HG2 GLN A 26 4.242 -4.955 -5.508 1.00 0.48 H new ATOM 0 HG3 GLN A 26 5.324 -6.331 -5.411 1.00 0.48 H new ATOM 0 HE21 GLN A 26 4.674 -4.674 -7.730 1.00 0.81 H new ATOM 0 HE22 GLN A 26 4.019 -5.773 -8.948 1.00 0.81 H new ATOM 435 N GLY A 27 3.639 -8.658 -2.331 1.00 0.23 N ATOM 436 CA GLY A 27 3.203 -9.782 -1.486 1.00 0.25 C ATOM 437 C GLY A 27 3.296 -9.522 0.020 1.00 0.23 C ATOM 438 O GLY A 27 2.500 -10.058 0.799 1.00 0.30 O ATOM 0 H GLY A 27 4.293 -8.922 -3.067 1.00 0.23 H new ATOM 0 HA2 GLY A 27 2.171 -10.028 -1.736 1.00 0.25 H new ATOM 0 HA3 GLY A 27 3.807 -10.657 -1.728 1.00 0.25 H new ATOM 442 N GLU A 28 4.241 -8.669 0.427 1.00 0.22 N ATOM 443 CA GLU A 28 4.409 -8.290 1.833 1.00 0.25 C ATOM 444 C GLU A 28 3.186 -7.504 2.343 1.00 0.20 C ATOM 445 O GLU A 28 2.620 -7.831 3.391 1.00 0.24 O ATOM 446 CB GLU A 28 5.698 -7.455 2.001 1.00 0.34 C ATOM 447 CG GLU A 28 6.337 -7.558 3.388 1.00 0.96 C ATOM 448 CD GLU A 28 7.436 -8.601 3.474 1.00 1.05 C ATOM 449 OE1 GLU A 28 7.435 -9.542 2.654 1.00 1.59 O ATOM 450 OE2 GLU A 28 8.304 -8.476 4.359 1.00 1.62 O ATOM 0 H GLU A 28 4.907 -8.224 -0.205 1.00 0.22 H new ATOM 0 HA GLU A 28 4.494 -9.199 2.429 1.00 0.25 H new ATOM 0 HB2 GLU A 28 6.425 -7.775 1.254 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.469 -6.409 1.796 1.00 0.34 H new ATOM 0 HG2 GLU A 28 6.747 -6.586 3.663 1.00 0.96 H new ATOM 0 HG3 GLU A 28 5.564 -7.796 4.118 1.00 0.96 H new ATOM 457 N ILE A 29 2.763 -6.494 1.572 1.00 0.17 N ATOM 458 CA ILE A 29 1.601 -5.665 1.936 1.00 0.15 C ATOM 459 C ILE A 29 0.273 -6.399 1.638 1.00 0.14 C ATOM 460 O ILE A 29 -0.759 -6.091 2.244 1.00 0.16 O ATOM 461 CB ILE A 29 1.673 -4.235 1.288 1.00 0.16 C ATOM 462 CG1 ILE A 29 0.339 -3.745 0.706 1.00 0.15 C ATOM 463 CG2 ILE A 29 2.757 -4.146 0.217 1.00 0.23 C ATOM 464 CD1 ILE A 29 0.428 -2.326 0.169 1.00 0.16 C ATOM 0 H ILE A 29 3.206 -6.229 0.692 1.00 0.17 H new ATOM 0 HA ILE A 29 1.632 -5.504 3.014 1.00 0.15 H new ATOM 0 HB ILE A 29 1.926 -3.574 2.117 1.00 0.16 H new ATOM 0 HG12 ILE A 29 0.027 -4.415 -0.095 1.00 0.15 H new ATOM 0 HG13 ILE A 29 -0.430 -3.791 1.477 1.00 0.15 H new ATOM 0 HG21 ILE A 29 2.771 -3.141 -0.204 1.00 0.23 H new ATOM 0 HG22 ILE A 29 3.727 -4.367 0.662 1.00 0.23 H new ATOM 0 HG23 ILE A 29 2.548 -4.867 -0.573 1.00 0.23 H new ATOM 0 HD11 ILE A 29 -0.541 -2.027 -0.231 1.00 0.16 H new ATOM 0 HD12 ILE A 29 0.712 -1.649 0.975 1.00 0.16 H new ATOM 0 HD13 ILE A 29 1.176 -2.283 -0.622 1.00 0.16 H new ATOM 476 N VAL A 30 0.330 -7.446 0.794 1.00 0.14 N ATOM 477 CA VAL A 30 -0.838 -8.304 0.521 1.00 0.16 C ATOM 478 C VAL A 30 -1.248 -9.040 1.807 1.00 0.17 C ATOM 479 O VAL A 30 -2.388 -8.934 2.271 1.00 0.24 O ATOM 480 CB VAL A 30 -0.545 -9.349 -0.599 1.00 0.18 C ATOM 481 CG1 VAL A 30 -1.708 -10.318 -0.776 1.00 0.29 C ATOM 482 CG2 VAL A 30 -0.243 -8.670 -1.927 1.00 0.23 C ATOM 0 H VAL A 30 1.173 -7.718 0.289 1.00 0.14 H new ATOM 0 HA VAL A 30 -1.647 -7.660 0.177 1.00 0.16 H new ATOM 0 HB VAL A 30 0.334 -9.910 -0.283 1.00 0.18 H new ATOM 0 HG11 VAL A 30 -1.470 -11.032 -1.564 1.00 0.29 H new ATOM 0 HG12 VAL A 30 -1.881 -10.853 0.158 1.00 0.29 H new ATOM 0 HG13 VAL A 30 -2.606 -9.763 -1.048 1.00 0.29 H new ATOM 0 HG21 VAL A 30 -0.043 -9.427 -2.686 1.00 0.23 H new ATOM 0 HG22 VAL A 30 -1.100 -8.068 -2.231 1.00 0.23 H new ATOM 0 HG23 VAL A 30 0.631 -8.028 -1.817 1.00 0.23 H new ATOM 492 N ALA A 31 -0.280 -9.748 2.403 1.00 0.17 N ATOM 493 CA ALA A 31 -0.497 -10.464 3.664 1.00 0.21 C ATOM 494 C ALA A 31 -0.792 -9.490 4.813 1.00 0.21 C ATOM 495 O ALA A 31 -1.572 -9.805 5.711 1.00 0.26 O ATOM 496 CB ALA A 31 0.712 -11.332 4.003 1.00 0.25 C ATOM 0 H ALA A 31 0.665 -9.840 2.029 1.00 0.17 H new ATOM 0 HA ALA A 31 -1.367 -11.108 3.535 1.00 0.21 H new ATOM 0 HB1 ALA A 31 0.532 -11.855 4.942 1.00 0.25 H new ATOM 0 HB2 ALA A 31 0.872 -12.059 3.207 1.00 0.25 H new ATOM 0 HB3 ALA A 31 1.596 -10.702 4.102 1.00 0.25 H new ATOM 502 N ALA A 32 -0.192 -8.289 4.755 1.00 0.18 N ATOM 503 CA ALA A 32 -0.392 -7.258 5.785 1.00 0.20 C ATOM 504 C ALA A 32 -1.863 -6.824 5.895 1.00 0.18 C ATOM 505 O ALA A 32 -2.411 -6.753 6.997 1.00 0.24 O ATOM 506 CB ALA A 32 0.499 -6.048 5.513 1.00 0.21 C ATOM 0 H ALA A 32 0.437 -8.009 4.003 1.00 0.18 H new ATOM 0 HA ALA A 32 -0.111 -7.701 6.741 1.00 0.20 H new ATOM 0 HB1 ALA A 32 0.337 -5.296 6.285 1.00 0.21 H new ATOM 0 HB2 ALA A 32 1.544 -6.357 5.521 1.00 0.21 H new ATOM 0 HB3 ALA A 32 0.252 -5.626 4.539 1.00 0.21 H new ATOM 512 N LEU A 33 -2.505 -6.534 4.750 1.00 0.15 N ATOM 513 CA LEU A 33 -3.920 -6.122 4.743 1.00 0.15 C ATOM 514 C LEU A 33 -4.847 -7.317 5.054 1.00 0.17 C ATOM 515 O LEU A 33 -5.875 -7.157 5.724 1.00 0.21 O ATOM 516 CB LEU A 33 -4.302 -5.436 3.415 1.00 0.21 C ATOM 517 CG LEU A 33 -3.570 -4.107 3.141 1.00 0.29 C ATOM 518 CD1 LEU A 33 -3.753 -3.649 1.696 1.00 0.47 C ATOM 519 CD2 LEU A 33 -4.055 -3.025 4.095 1.00 0.37 C ATOM 0 H LEU A 33 -2.073 -6.576 3.827 1.00 0.15 H new ATOM 0 HA LEU A 33 -4.056 -5.385 5.535 1.00 0.15 H new ATOM 0 HB2 LEU A 33 -4.097 -6.124 2.595 1.00 0.21 H new ATOM 0 HB3 LEU A 33 -5.376 -5.250 3.414 1.00 0.21 H new ATOM 0 HG LEU A 33 -2.507 -4.280 3.306 1.00 0.29 H new ATOM 0 HD11 LEU A 33 -3.223 -2.709 1.542 1.00 0.47 H new ATOM 0 HD12 LEU A 33 -3.353 -4.406 1.021 1.00 0.47 H new ATOM 0 HD13 LEU A 33 -4.814 -3.504 1.492 1.00 0.47 H new ATOM 0 HD21 LEU A 33 -3.528 -2.094 3.887 1.00 0.37 H new ATOM 0 HD22 LEU A 33 -5.126 -2.874 3.959 1.00 0.37 H new ATOM 0 HD23 LEU A 33 -3.859 -3.331 5.123 1.00 0.37 H new ATOM 531 N GLN A 34 -4.437 -8.537 4.675 1.00 0.20 N ATOM 532 CA GLN A 34 -5.209 -9.741 5.025 1.00 0.26 C ATOM 533 C GLN A 34 -5.267 -9.922 6.556 1.00 0.29 C ATOM 534 O GLN A 34 -6.298 -10.315 7.103 1.00 0.38 O ATOM 535 CB GLN A 34 -4.618 -10.990 4.360 1.00 0.29 C ATOM 536 CG GLN A 34 -5.011 -11.139 2.894 1.00 0.33 C ATOM 537 CD GLN A 34 -4.728 -12.527 2.347 1.00 0.58 C ATOM 538 OE1 GLN A 34 -5.336 -13.509 2.776 1.00 1.12 O ATOM 539 NE2 GLN A 34 -3.794 -12.622 1.413 1.00 0.58 N ATOM 0 H GLN A 34 -3.590 -8.716 4.135 1.00 0.20 H new ATOM 0 HA GLN A 34 -6.224 -9.608 4.651 1.00 0.26 H new ATOM 0 HB2 GLN A 34 -3.531 -10.953 4.435 1.00 0.29 H new ATOM 0 HB3 GLN A 34 -4.945 -11.874 4.908 1.00 0.29 H new ATOM 0 HG2 GLN A 34 -6.073 -10.919 2.783 1.00 0.33 H new ATOM 0 HG3 GLN A 34 -4.469 -10.402 2.301 1.00 0.33 H new ATOM 0 HE21 GLN A 34 -3.314 -11.784 1.085 1.00 0.58 H new ATOM 0 HE22 GLN A 34 -3.555 -13.533 1.022 1.00 0.58 H new ATOM 548 N GLU A 35 -4.175 -9.556 7.239 1.00 0.28 N ATOM 549 CA GLU A 35 -4.108 -9.603 8.704 1.00 0.34 C ATOM 550 C GLU A 35 -4.860 -8.420 9.342 1.00 0.34 C ATOM 551 O GLU A 35 -5.366 -8.529 10.459 1.00 0.45 O ATOM 552 CB GLU A 35 -2.642 -9.582 9.169 1.00 0.37 C ATOM 553 CG GLU A 35 -1.854 -10.836 8.808 1.00 0.65 C ATOM 554 CD GLU A 35 -2.154 -12.003 9.724 1.00 1.20 C ATOM 555 OE1 GLU A 35 -2.065 -11.830 10.955 1.00 1.78 O ATOM 556 OE2 GLU A 35 -2.462 -13.096 9.214 1.00 1.94 O ATOM 0 H GLU A 35 -3.320 -9.222 6.795 1.00 0.28 H new ATOM 0 HA GLU A 35 -4.585 -10.529 9.025 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -2.146 -8.716 8.731 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -2.617 -9.450 10.251 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -2.082 -11.119 7.780 1.00 0.65 H new ATOM 0 HG3 GLU A 35 -0.788 -10.613 8.848 1.00 0.65 H new ATOM 563 N GLN A 36 -4.888 -7.278 8.634 1.00 0.26 N ATOM 564 CA GLN A 36 -5.564 -6.057 9.112 1.00 0.28 C ATOM 565 C GLN A 36 -7.073 -6.267 9.289 1.00 0.30 C ATOM 566 O GLN A 36 -7.650 -5.846 10.295 1.00 0.39 O ATOM 567 CB GLN A 36 -5.311 -4.900 8.134 1.00 0.26 C ATOM 568 CG GLN A 36 -3.949 -4.232 8.312 1.00 0.31 C ATOM 569 CD GLN A 36 -4.013 -2.979 9.171 1.00 0.49 C ATOM 570 OE1 GLN A 36 -4.365 -3.041 10.348 1.00 1.42 O ATOM 571 NE2 GLN A 36 -3.687 -1.835 8.582 1.00 0.65 N ATOM 0 H GLN A 36 -4.446 -7.174 7.720 1.00 0.26 H new ATOM 0 HA GLN A 36 -5.147 -5.813 10.089 1.00 0.28 H new ATOM 0 HB2 GLN A 36 -5.391 -5.274 7.114 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -6.093 -4.151 8.261 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -3.258 -4.942 8.765 1.00 0.31 H new ATOM 0 HG3 GLN A 36 -3.545 -3.975 7.333 1.00 0.31 H new ATOM 0 HE21 GLN A 36 -3.400 -1.829 7.603 1.00 0.65 H new ATOM 0 HE22 GLN A 36 -3.723 -0.962 9.108 1.00 0.65 H new ATOM 580 N GLY A 37 -7.714 -6.875 8.289 1.00 0.28 N ATOM 581 CA GLY A 37 -9.151 -7.127 8.357 1.00 0.33 C ATOM 582 C GLY A 37 -9.825 -7.191 6.996 1.00 0.34 C ATOM 583 O GLY A 37 -11.032 -6.964 6.897 1.00 0.46 O ATOM 0 H GLY A 37 -7.265 -7.198 7.432 1.00 0.28 H new ATOM 0 HA2 GLY A 37 -9.322 -8.067 8.882 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -9.621 -6.342 8.949 1.00 0.33 H new ATOM 587 N PHE A 38 -9.063 -7.508 5.945 1.00 0.30 N ATOM 588 CA PHE A 38 -9.608 -7.560 4.583 1.00 0.34 C ATOM 589 C PHE A 38 -9.555 -8.980 4.016 1.00 0.45 C ATOM 590 O PHE A 38 -8.667 -9.764 4.353 1.00 0.83 O ATOM 591 CB PHE A 38 -8.847 -6.574 3.693 1.00 0.31 C ATOM 592 CG PHE A 38 -8.838 -5.183 4.278 1.00 0.26 C ATOM 593 CD1 PHE A 38 -9.975 -4.393 4.229 1.00 1.24 C ATOM 594 CD2 PHE A 38 -7.736 -4.711 4.979 1.00 1.19 C ATOM 595 CE1 PHE A 38 -9.983 -3.140 4.810 1.00 1.26 C ATOM 596 CE2 PHE A 38 -7.744 -3.464 5.554 1.00 1.19 C ATOM 597 CZ PHE A 38 -8.865 -2.677 5.473 1.00 0.29 C ATOM 0 H PHE A 38 -8.070 -7.732 6.009 1.00 0.30 H new ATOM 0 HA PHE A 38 -10.659 -7.271 4.611 1.00 0.34 H new ATOM 0 HB2 PHE A 38 -7.822 -6.920 3.562 1.00 0.31 H new ATOM 0 HB3 PHE A 38 -9.304 -6.549 2.704 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -10.862 -4.760 3.733 1.00 1.24 H new ATOM 0 HD2 PHE A 38 -6.859 -5.334 5.073 1.00 1.19 H new ATOM 0 HE1 PHE A 38 -10.866 -2.521 4.745 1.00 1.26 H new ATOM 0 HE2 PHE A 38 -6.867 -3.102 6.070 1.00 1.19 H new ATOM 0 HZ PHE A 38 -8.872 -1.697 5.927 1.00 0.29 H new ATOM 607 N ASP A 39 -10.561 -9.316 3.202 1.00 0.46 N ATOM 608 CA ASP A 39 -10.672 -10.620 2.565 1.00 0.58 C ATOM 609 C ASP A 39 -10.950 -10.427 1.078 1.00 0.69 C ATOM 610 O ASP A 39 -11.814 -9.641 0.686 1.00 1.55 O ATOM 611 CB ASP A 39 -11.773 -11.466 3.217 1.00 0.72 C ATOM 612 CG ASP A 39 -11.690 -12.937 2.845 1.00 1.53 C ATOM 613 OD1 ASP A 39 -10.936 -13.677 3.507 1.00 2.24 O ATOM 614 OD2 ASP A 39 -12.363 -13.347 1.880 1.00 2.21 O ATOM 0 H ASP A 39 -11.324 -8.681 2.969 1.00 0.46 H new ATOM 0 HA ASP A 39 -9.732 -11.157 2.693 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -11.706 -11.367 4.300 1.00 0.72 H new ATOM 0 HB3 ASP A 39 -12.747 -11.076 2.920 1.00 0.72 H new ATOM 619 N ASN A 40 -10.183 -11.151 0.291 1.00 0.95 N ATOM 620 CA ASN A 40 -10.184 -11.082 -1.187 1.00 1.07 C ATOM 621 C ASN A 40 -9.076 -10.127 -1.648 1.00 0.91 C ATOM 622 O ASN A 40 -9.253 -9.346 -2.585 1.00 1.18 O ATOM 623 CB ASN A 40 -11.560 -10.666 -1.772 1.00 1.35 C ATOM 624 CG ASN A 40 -11.702 -10.999 -3.251 1.00 1.76 C ATOM 625 OD1 ASN A 40 -11.742 -10.105 -4.102 1.00 2.30 O ATOM 626 ND2 ASN A 40 -11.784 -12.283 -3.569 1.00 2.30 N ATOM 0 H ASN A 40 -9.515 -11.830 0.656 1.00 0.95 H new ATOM 0 HA ASN A 40 -9.990 -12.084 -1.569 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -12.352 -11.166 -1.215 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -11.700 -9.594 -1.631 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -11.884 -12.561 -4.545 1.00 2.30 H new ATOM 0 HD22 ASN A 40 -11.747 -12.993 -2.838 1.00 2.30 H new ATOM 633 N ILE A 41 -7.940 -10.185 -0.947 1.00 0.58 N ATOM 634 CA ILE A 41 -6.783 -9.347 -1.240 1.00 0.44 C ATOM 635 C ILE A 41 -5.701 -10.191 -1.921 1.00 0.39 C ATOM 636 O ILE A 41 -5.168 -11.140 -1.340 1.00 0.62 O ATOM 637 CB ILE A 41 -6.257 -8.653 0.058 1.00 0.40 C ATOM 638 CG1 ILE A 41 -6.921 -7.284 0.226 1.00 0.60 C ATOM 639 CG2 ILE A 41 -4.747 -8.479 0.060 1.00 0.39 C ATOM 640 CD1 ILE A 41 -8.421 -7.301 0.063 1.00 1.68 C ATOM 0 H ILE A 41 -7.801 -10.817 -0.159 1.00 0.58 H new ATOM 0 HA ILE A 41 -7.074 -8.551 -1.925 1.00 0.44 H new ATOM 0 HB ILE A 41 -6.515 -9.307 0.891 1.00 0.40 H new ATOM 0 HG12 ILE A 41 -6.678 -6.894 1.214 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -6.495 -6.594 -0.503 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -4.438 -7.992 0.985 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -4.268 -9.455 -0.013 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -4.450 -7.865 -0.790 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -8.813 -6.293 0.197 1.00 1.68 H new ATOM 0 HD12 ILE A 41 -8.675 -7.659 -0.935 1.00 1.68 H new ATOM 0 HD13 ILE A 41 -8.861 -7.963 0.809 1.00 1.68 H new ATOM 652 N ASN A 42 -5.438 -9.865 -3.182 1.00 0.33 N ATOM 653 CA ASN A 42 -4.468 -10.595 -4.015 1.00 0.31 C ATOM 654 C ASN A 42 -3.327 -9.680 -4.466 1.00 0.24 C ATOM 655 O ASN A 42 -3.438 -8.448 -4.406 1.00 0.25 O ATOM 656 CB ASN A 42 -5.169 -11.214 -5.245 1.00 0.40 C ATOM 657 CG ASN A 42 -6.154 -10.266 -5.917 1.00 0.48 C ATOM 658 OD1 ASN A 42 -5.767 -9.405 -6.706 1.00 0.66 O ATOM 659 ND2 ASN A 42 -7.424 -10.384 -5.557 1.00 0.91 N ATOM 0 H ASN A 42 -5.888 -9.087 -3.663 1.00 0.33 H new ATOM 0 HA ASN A 42 -4.044 -11.395 -3.409 1.00 0.31 H new ATOM 0 HB2 ASN A 42 -4.414 -11.517 -5.971 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -5.696 -12.117 -4.938 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -8.123 -9.746 -5.937 1.00 0.91 H new ATOM 0 HD22 ASN A 42 -7.702 -11.113 -4.900 1.00 0.91 H new ATOM 666 N GLN A 43 -2.248 -10.288 -4.972 1.00 0.24 N ATOM 667 CA GLN A 43 -1.084 -9.530 -5.449 1.00 0.26 C ATOM 668 C GLN A 43 -1.437 -8.628 -6.641 1.00 0.22 C ATOM 669 O GLN A 43 -0.833 -7.573 -6.816 1.00 0.24 O ATOM 670 CB GLN A 43 0.075 -10.471 -5.818 1.00 0.37 C ATOM 671 CG GLN A 43 1.452 -9.837 -5.628 1.00 0.56 C ATOM 672 CD GLN A 43 2.592 -10.825 -5.812 1.00 0.88 C ATOM 673 OE1 GLN A 43 3.200 -11.274 -4.840 1.00 1.66 O ATOM 674 NE2 GLN A 43 2.886 -11.168 -7.057 1.00 1.43 N ATOM 0 H GLN A 43 -2.156 -11.300 -5.062 1.00 0.24 H new ATOM 0 HA GLN A 43 -0.765 -8.888 -4.628 1.00 0.26 H new ATOM 0 HB2 GLN A 43 0.010 -11.372 -5.208 1.00 0.37 H new ATOM 0 HB3 GLN A 43 -0.034 -10.781 -6.857 1.00 0.37 H new ATOM 0 HG2 GLN A 43 1.570 -9.018 -6.338 1.00 0.56 H new ATOM 0 HG3 GLN A 43 1.512 -9.404 -4.630 1.00 0.56 H new ATOM 0 HE21 GLN A 43 2.357 -10.772 -7.834 1.00 1.43 H new ATOM 0 HE22 GLN A 43 3.642 -11.828 -7.239 1.00 1.43 H new ATOM 683 N SER A 44 -2.445 -9.023 -7.427 1.00 0.25 N ATOM 684 CA SER A 44 -2.907 -8.239 -8.570 1.00 0.29 C ATOM 685 C SER A 44 -3.526 -6.905 -8.121 1.00 0.28 C ATOM 686 O SER A 44 -3.254 -5.858 -8.704 1.00 0.34 O ATOM 687 CB SER A 44 -3.913 -9.051 -9.377 1.00 0.36 C ATOM 688 OG SER A 44 -3.548 -10.424 -9.449 1.00 0.83 O ATOM 0 H SER A 44 -2.960 -9.892 -7.287 1.00 0.25 H new ATOM 0 HA SER A 44 -2.047 -8.006 -9.198 1.00 0.29 H new ATOM 0 HB2 SER A 44 -4.900 -8.961 -8.924 1.00 0.36 H new ATOM 0 HB3 SER A 44 -3.986 -8.641 -10.384 1.00 0.36 H new ATOM 0 HG SER A 44 -4.217 -10.913 -9.972 1.00 0.83 H new ATOM 694 N LYS A 45 -4.323 -6.952 -7.050 1.00 0.27 N ATOM 695 CA LYS A 45 -4.941 -5.748 -6.473 1.00 0.30 C ATOM 696 C LYS A 45 -3.876 -4.847 -5.818 1.00 0.22 C ATOM 697 O LYS A 45 -3.991 -3.625 -5.835 1.00 0.26 O ATOM 698 CB LYS A 45 -6.019 -6.143 -5.437 1.00 0.39 C ATOM 699 CG LYS A 45 -7.278 -5.272 -5.466 1.00 0.64 C ATOM 700 CD LYS A 45 -8.545 -6.116 -5.364 1.00 1.44 C ATOM 701 CE LYS A 45 -9.756 -5.298 -4.933 1.00 1.92 C ATOM 702 NZ LYS A 45 -9.881 -4.019 -5.683 1.00 2.16 N ATOM 0 H LYS A 45 -4.558 -7.815 -6.560 1.00 0.27 H new ATOM 0 HA LYS A 45 -5.415 -5.187 -7.278 1.00 0.30 H new ATOM 0 HB2 LYS A 45 -6.306 -7.180 -5.608 1.00 0.39 H new ATOM 0 HB3 LYS A 45 -5.582 -6.094 -4.440 1.00 0.39 H new ATOM 0 HG2 LYS A 45 -7.247 -4.559 -4.642 1.00 0.64 H new ATOM 0 HG3 LYS A 45 -7.299 -4.692 -6.389 1.00 0.64 H new ATOM 0 HD2 LYS A 45 -8.748 -6.579 -6.330 1.00 1.44 H new ATOM 0 HD3 LYS A 45 -8.383 -6.924 -4.650 1.00 1.44 H new ATOM 0 HE2 LYS A 45 -10.660 -5.890 -5.079 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -9.684 -5.084 -3.867 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -10.796 -3.576 -5.463 1.00 2.16 H new ATOM 0 HZ2 LYS A 45 -9.110 -3.378 -5.407 1.00 2.16 H new ATOM 0 HZ3 LYS A 45 -9.825 -4.208 -6.704 1.00 2.16 H new ATOM 716 N VAL A 46 -2.839 -5.476 -5.259 1.00 0.17 N ATOM 717 CA VAL A 46 -1.727 -4.766 -4.614 1.00 0.15 C ATOM 718 C VAL A 46 -0.791 -4.138 -5.658 1.00 0.15 C ATOM 719 O VAL A 46 -0.397 -2.978 -5.523 1.00 0.20 O ATOM 720 CB VAL A 46 -0.967 -5.723 -3.656 1.00 0.18 C ATOM 721 CG1 VAL A 46 0.401 -5.191 -3.254 1.00 0.23 C ATOM 722 CG2 VAL A 46 -1.819 -5.973 -2.411 1.00 0.22 C ATOM 0 H VAL A 46 -2.745 -6.491 -5.240 1.00 0.17 H new ATOM 0 HA VAL A 46 -2.132 -3.947 -4.019 1.00 0.15 H new ATOM 0 HB VAL A 46 -0.795 -6.656 -4.193 1.00 0.18 H new ATOM 0 HG11 VAL A 46 0.885 -5.902 -2.584 1.00 0.23 H new ATOM 0 HG12 VAL A 46 1.015 -5.055 -4.145 1.00 0.23 H new ATOM 0 HG13 VAL A 46 0.284 -4.234 -2.745 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -1.289 -6.645 -1.736 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -2.010 -5.027 -1.905 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -2.766 -6.426 -2.703 1.00 0.22 H new ATOM 732 N SER A 47 -0.490 -4.878 -6.731 1.00 0.17 N ATOM 733 CA SER A 47 0.358 -4.361 -7.813 1.00 0.21 C ATOM 734 C SER A 47 -0.362 -3.248 -8.594 1.00 0.22 C ATOM 735 O SER A 47 0.253 -2.247 -8.975 1.00 0.24 O ATOM 736 CB SER A 47 0.788 -5.496 -8.758 1.00 0.29 C ATOM 737 OG SER A 47 -0.307 -6.319 -9.129 1.00 1.26 O ATOM 0 H SER A 47 -0.819 -5.833 -6.874 1.00 0.17 H new ATOM 0 HA SER A 47 1.253 -3.933 -7.363 1.00 0.21 H new ATOM 0 HB2 SER A 47 1.242 -5.071 -9.653 1.00 0.29 H new ATOM 0 HB3 SER A 47 1.551 -6.104 -8.272 1.00 0.29 H new ATOM 0 HG SER A 47 -0.417 -7.034 -8.468 1.00 1.26 H new ATOM 743 N ARG A 48 -1.679 -3.404 -8.787 1.00 0.23 N ATOM 744 CA ARG A 48 -2.484 -2.401 -9.494 1.00 0.26 C ATOM 745 C ARG A 48 -2.598 -1.108 -8.674 1.00 0.20 C ATOM 746 O ARG A 48 -2.430 -0.015 -9.215 1.00 0.22 O ATOM 747 CB ARG A 48 -3.883 -2.952 -9.831 1.00 0.32 C ATOM 748 CG ARG A 48 -3.920 -3.794 -11.103 1.00 0.41 C ATOM 749 CD ARG A 48 -3.306 -3.052 -12.289 1.00 1.03 C ATOM 750 NE ARG A 48 -3.933 -3.411 -13.568 1.00 1.58 N ATOM 751 CZ ARG A 48 -3.426 -3.100 -14.768 1.00 2.32 C ATOM 752 NH1 ARG A 48 -2.276 -2.434 -14.853 1.00 2.75 N ATOM 753 NH2 ARG A 48 -4.067 -3.456 -15.875 1.00 3.20 N ATOM 0 H ARG A 48 -2.208 -4.214 -8.464 1.00 0.23 H new ATOM 0 HA ARG A 48 -1.975 -2.168 -10.429 1.00 0.26 H new ATOM 0 HB2 ARG A 48 -4.237 -3.556 -8.996 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -4.576 -2.118 -9.938 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -3.380 -4.727 -10.938 1.00 0.41 H new ATOM 0 HG3 ARG A 48 -4.952 -4.059 -11.334 1.00 0.41 H new ATOM 0 HD2 ARG A 48 -3.403 -1.978 -12.130 1.00 1.03 H new ATOM 0 HD3 ARG A 48 -2.240 -3.272 -12.337 1.00 1.03 H new ATOM 0 HE ARG A 48 -4.810 -3.930 -13.540 1.00 1.58 H new ATOM 0 HH11 ARG A 48 -1.781 -2.161 -14.004 1.00 2.75 H new ATOM 0 HH12 ARG A 48 -1.890 -2.197 -15.767 1.00 2.75 H new ATOM 0 HH21 ARG A 48 -4.947 -3.967 -15.813 1.00 3.20 H new ATOM 0 HH22 ARG A 48 -3.679 -3.218 -16.788 1.00 3.20 H new ATOM 767 N MET A 49 -2.836 -1.238 -7.360 1.00 0.17 N ATOM 768 CA MET A 49 -2.936 -0.070 -6.470 1.00 0.16 C ATOM 769 C MET A 49 -1.603 0.684 -6.384 1.00 0.13 C ATOM 770 O MET A 49 -1.594 1.912 -6.295 1.00 0.14 O ATOM 771 CB MET A 49 -3.418 -0.476 -5.066 1.00 0.18 C ATOM 772 CG MET A 49 -4.934 -0.558 -4.951 1.00 0.27 C ATOM 773 SD MET A 49 -5.501 -0.722 -3.250 1.00 1.49 S ATOM 774 CE MET A 49 -5.248 -2.469 -2.957 1.00 2.00 C ATOM 0 H MET A 49 -2.962 -2.135 -6.891 1.00 0.17 H new ATOM 0 HA MET A 49 -3.677 0.602 -6.902 1.00 0.16 H new ATOM 0 HB2 MET A 49 -2.988 -1.444 -4.807 1.00 0.18 H new ATOM 0 HB3 MET A 49 -3.044 0.244 -4.338 1.00 0.18 H new ATOM 0 HG2 MET A 49 -5.375 0.336 -5.391 1.00 0.27 H new ATOM 0 HG3 MET A 49 -5.292 -1.409 -5.531 1.00 0.27 H new ATOM 0 HE1 MET A 49 -5.174 -2.651 -1.885 1.00 2.00 H new ATOM 0 HE2 MET A 49 -6.089 -3.032 -3.363 1.00 2.00 H new ATOM 0 HE3 MET A 49 -4.327 -2.790 -3.444 1.00 2.00 H new ATOM 784 N LEU A 50 -0.481 -0.045 -6.467 1.00 0.13 N ATOM 785 CA LEU A 50 0.852 0.576 -6.442 1.00 0.14 C ATOM 786 C LEU A 50 1.047 1.501 -7.653 1.00 0.17 C ATOM 787 O LEU A 50 1.450 2.655 -7.504 1.00 0.21 O ATOM 788 CB LEU A 50 1.958 -0.495 -6.420 1.00 0.18 C ATOM 789 CG LEU A 50 2.253 -1.090 -5.038 1.00 0.19 C ATOM 790 CD1 LEU A 50 2.908 -2.461 -5.162 1.00 0.33 C ATOM 791 CD2 LEU A 50 3.127 -0.160 -4.215 1.00 0.32 C ATOM 0 H LEU A 50 -0.469 -1.061 -6.552 1.00 0.13 H new ATOM 0 HA LEU A 50 0.922 1.170 -5.531 1.00 0.14 H new ATOM 0 HB2 LEU A 50 1.675 -1.303 -7.094 1.00 0.18 H new ATOM 0 HB3 LEU A 50 2.875 -0.058 -6.814 1.00 0.18 H new ATOM 0 HG LEU A 50 1.300 -1.209 -4.522 1.00 0.19 H new ATOM 0 HD11 LEU A 50 3.107 -2.861 -4.168 1.00 0.33 H new ATOM 0 HD12 LEU A 50 2.241 -3.136 -5.698 1.00 0.33 H new ATOM 0 HD13 LEU A 50 3.846 -2.368 -5.710 1.00 0.33 H new ATOM 0 HD21 LEU A 50 3.319 -0.609 -3.240 1.00 0.32 H new ATOM 0 HD22 LEU A 50 4.073 0.003 -4.732 1.00 0.32 H new ATOM 0 HD23 LEU A 50 2.618 0.794 -4.081 1.00 0.32 H new ATOM 803 N THR A 51 0.731 0.990 -8.848 1.00 0.19 N ATOM 804 CA THR A 51 0.836 1.772 -10.088 1.00 0.23 C ATOM 805 C THR A 51 -0.234 2.880 -10.133 1.00 0.24 C ATOM 806 O THR A 51 0.054 4.019 -10.508 1.00 0.32 O ATOM 807 CB THR A 51 0.702 0.849 -11.317 1.00 0.28 C ATOM 808 OG1 THR A 51 1.414 -0.366 -11.122 1.00 0.35 O ATOM 809 CG2 THR A 51 1.211 1.471 -12.605 1.00 0.34 C ATOM 0 H THR A 51 0.399 0.035 -8.984 1.00 0.19 H new ATOM 0 HA THR A 51 1.818 2.245 -10.109 1.00 0.23 H new ATOM 0 HB THR A 51 -0.369 0.671 -11.416 1.00 0.28 H new ATOM 0 HG1 THR A 51 1.313 -0.935 -11.913 1.00 0.35 H new ATOM 0 HG21 THR A 51 1.085 0.764 -13.425 1.00 0.34 H new ATOM 0 HG22 THR A 51 0.647 2.379 -12.818 1.00 0.34 H new ATOM 0 HG23 THR A 51 2.267 1.717 -12.498 1.00 0.34 H new ATOM 817 N LYS A 52 -1.459 2.534 -9.708 1.00 0.20 N ATOM 818 CA LYS A 52 -2.595 3.473 -9.667 1.00 0.22 C ATOM 819 C LYS A 52 -2.280 4.699 -8.801 1.00 0.24 C ATOM 820 O LYS A 52 -2.386 5.841 -9.254 1.00 0.32 O ATOM 821 CB LYS A 52 -3.841 2.751 -9.120 1.00 0.22 C ATOM 822 CG LYS A 52 -5.132 3.565 -9.188 1.00 0.32 C ATOM 823 CD LYS A 52 -5.902 3.508 -7.871 1.00 0.46 C ATOM 824 CE LYS A 52 -7.363 3.917 -8.049 1.00 0.74 C ATOM 825 NZ LYS A 52 -7.504 5.222 -8.748 1.00 1.23 N ATOM 0 H LYS A 52 -1.692 1.596 -9.383 1.00 0.20 H new ATOM 0 HA LYS A 52 -2.785 3.821 -10.682 1.00 0.22 H new ATOM 0 HB2 LYS A 52 -3.982 1.825 -9.678 1.00 0.22 H new ATOM 0 HB3 LYS A 52 -3.657 2.473 -8.082 1.00 0.22 H new ATOM 0 HG2 LYS A 52 -4.897 4.602 -9.428 1.00 0.32 H new ATOM 0 HG3 LYS A 52 -5.760 3.186 -9.994 1.00 0.32 H new ATOM 0 HD2 LYS A 52 -5.854 2.497 -7.466 1.00 0.46 H new ATOM 0 HD3 LYS A 52 -5.427 4.166 -7.143 1.00 0.46 H new ATOM 0 HE2 LYS A 52 -7.887 3.146 -8.614 1.00 0.74 H new ATOM 0 HE3 LYS A 52 -7.842 3.977 -7.072 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 -8.497 5.530 -8.711 1.00 1.23 H new ATOM 0 HZ2 LYS A 52 -6.903 5.932 -8.282 1.00 1.23 H new ATOM 0 HZ3 LYS A 52 -7.211 5.118 -9.740 1.00 1.23 H new ATOM 839 N PHE A 53 -1.873 4.444 -7.558 1.00 0.23 N ATOM 840 CA PHE A 53 -1.543 5.506 -6.598 1.00 0.27 C ATOM 841 C PHE A 53 -0.172 6.146 -6.883 1.00 0.31 C ATOM 842 O PHE A 53 0.088 7.275 -6.459 1.00 0.49 O ATOM 843 CB PHE A 53 -1.581 4.933 -5.174 1.00 0.25 C ATOM 844 CG PHE A 53 -2.978 4.591 -4.693 1.00 0.27 C ATOM 845 CD1 PHE A 53 -4.018 5.505 -4.825 1.00 1.13 C ATOM 846 CD2 PHE A 53 -3.256 3.356 -4.118 1.00 1.24 C ATOM 847 CE1 PHE A 53 -5.293 5.196 -4.388 1.00 1.13 C ATOM 848 CE2 PHE A 53 -4.528 3.046 -3.682 1.00 1.27 C ATOM 849 CZ PHE A 53 -5.547 3.967 -3.816 1.00 0.37 C ATOM 0 H PHE A 53 -1.762 3.501 -7.186 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.287 6.296 -6.701 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -0.963 4.036 -5.136 1.00 0.25 H new ATOM 0 HB3 PHE A 53 -1.137 5.655 -4.489 1.00 0.25 H new ATOM 0 HD1 PHE A 53 -3.827 6.468 -5.275 1.00 1.13 H new ATOM 0 HD2 PHE A 53 -2.465 2.629 -4.011 1.00 1.24 H new ATOM 0 HE1 PHE A 53 -6.090 5.917 -4.495 1.00 1.13 H new ATOM 0 HE2 PHE A 53 -4.726 2.083 -3.236 1.00 1.27 H new ATOM 0 HZ PHE A 53 -6.542 3.726 -3.473 1.00 0.37 H new ATOM 859 N GLY A 54 0.697 5.426 -7.602 1.00 0.27 N ATOM 860 CA GLY A 54 2.023 5.939 -7.935 1.00 0.32 C ATOM 861 C GLY A 54 3.003 5.840 -6.776 1.00 0.28 C ATOM 862 O GLY A 54 3.594 6.839 -6.368 1.00 0.32 O ATOM 0 H GLY A 54 0.503 4.491 -7.961 1.00 0.27 H new ATOM 0 HA2 GLY A 54 2.418 5.385 -8.787 1.00 0.32 H new ATOM 0 HA3 GLY A 54 1.937 6.981 -8.244 1.00 0.32 H new ATOM 866 N ALA A 55 3.158 4.632 -6.230 1.00 0.25 N ATOM 867 CA ALA A 55 4.059 4.392 -5.096 1.00 0.24 C ATOM 868 C ALA A 55 5.515 4.265 -5.553 1.00 0.25 C ATOM 869 O ALA A 55 5.813 3.566 -6.526 1.00 0.43 O ATOM 870 CB ALA A 55 3.633 3.138 -4.341 1.00 0.30 C ATOM 0 H ALA A 55 2.669 3.799 -6.556 1.00 0.25 H new ATOM 0 HA ALA A 55 3.992 5.252 -4.429 1.00 0.24 H new ATOM 0 HB1 ALA A 55 4.309 2.971 -3.502 1.00 0.30 H new ATOM 0 HB2 ALA A 55 2.617 3.265 -3.968 1.00 0.30 H new ATOM 0 HB3 ALA A 55 3.668 2.280 -5.012 1.00 0.30 H new ATOM 876 N VAL A 56 6.417 4.941 -4.838 1.00 0.22 N ATOM 877 CA VAL A 56 7.857 4.893 -5.123 1.00 0.26 C ATOM 878 C VAL A 56 8.584 4.037 -4.074 1.00 0.26 C ATOM 879 O VAL A 56 8.032 3.750 -3.014 1.00 0.39 O ATOM 880 CB VAL A 56 8.473 6.321 -5.152 1.00 0.34 C ATOM 881 CG1 VAL A 56 7.725 7.214 -6.141 1.00 0.55 C ATOM 882 CG2 VAL A 56 8.474 6.961 -3.764 1.00 0.44 C ATOM 0 H VAL A 56 6.173 5.536 -4.047 1.00 0.22 H new ATOM 0 HA VAL A 56 7.985 4.442 -6.107 1.00 0.26 H new ATOM 0 HB VAL A 56 9.508 6.222 -5.479 1.00 0.34 H new ATOM 0 HG11 VAL A 56 8.173 8.208 -6.145 1.00 0.55 H new ATOM 0 HG12 VAL A 56 7.789 6.783 -7.140 1.00 0.55 H new ATOM 0 HG13 VAL A 56 6.679 7.289 -5.844 1.00 0.55 H new ATOM 0 HG21 VAL A 56 8.912 7.958 -3.823 1.00 0.44 H new ATOM 0 HG22 VAL A 56 7.450 7.035 -3.397 1.00 0.44 H new ATOM 0 HG23 VAL A 56 9.061 6.347 -3.081 1.00 0.44 H new ATOM 892 N ARG A 57 9.809 3.611 -4.386 1.00 0.39 N ATOM 893 CA ARG A 57 10.625 2.830 -3.445 1.00 0.41 C ATOM 894 C ARG A 57 11.828 3.658 -2.998 1.00 0.46 C ATOM 895 O ARG A 57 12.486 4.291 -3.826 1.00 0.58 O ATOM 896 CB ARG A 57 11.095 1.505 -4.070 1.00 0.48 C ATOM 897 CG ARG A 57 10.102 0.892 -5.056 1.00 0.65 C ATOM 898 CD ARG A 57 10.198 -0.639 -5.137 1.00 0.87 C ATOM 899 NE ARG A 57 11.440 -1.192 -4.570 1.00 0.83 N ATOM 900 CZ ARG A 57 12.637 -1.131 -5.157 1.00 1.10 C ATOM 901 NH1 ARG A 57 12.791 -0.511 -6.317 1.00 1.87 N ATOM 902 NH2 ARG A 57 13.689 -1.668 -4.553 1.00 1.34 N ATOM 0 H ARG A 57 10.261 3.792 -5.282 1.00 0.39 H new ATOM 0 HA ARG A 57 10.008 2.587 -2.580 1.00 0.41 H new ATOM 0 HB2 ARG A 57 12.042 1.674 -4.583 1.00 0.48 H new ATOM 0 HB3 ARG A 57 11.288 0.788 -3.272 1.00 0.48 H new ATOM 0 HG2 ARG A 57 9.090 1.171 -4.764 1.00 0.65 H new ATOM 0 HG3 ARG A 57 10.276 1.314 -6.046 1.00 0.65 H new ATOM 0 HD2 ARG A 57 9.347 -1.074 -4.614 1.00 0.87 H new ATOM 0 HD3 ARG A 57 10.120 -0.943 -6.181 1.00 0.87 H new ATOM 0 HE ARG A 57 11.381 -1.655 -3.663 1.00 0.83 H new ATOM 0 HH11 ARG A 57 11.990 -0.073 -6.772 1.00 1.87 H new ATOM 0 HH12 ARG A 57 13.711 -0.471 -6.756 1.00 1.87 H new ATOM 0 HH21 ARG A 57 13.579 -2.123 -3.647 1.00 1.34 H new ATOM 0 HH22 ARG A 57 14.607 -1.626 -4.995 1.00 1.34 H new ATOM 916 N THR A 58 12.112 3.669 -1.697 1.00 0.44 N ATOM 917 CA THR A 58 13.234 4.456 -1.175 1.00 0.54 C ATOM 918 C THR A 58 13.709 3.952 0.194 1.00 0.50 C ATOM 919 O THR A 58 13.149 3.010 0.762 1.00 0.44 O ATOM 920 CB THR A 58 12.844 5.949 -1.100 1.00 0.69 C ATOM 921 OG1 THR A 58 13.997 6.781 -1.163 1.00 1.32 O ATOM 922 CG2 THR A 58 12.070 6.328 0.151 1.00 1.17 C ATOM 0 H THR A 58 11.590 3.150 -0.991 1.00 0.44 H new ATOM 0 HA THR A 58 14.069 4.337 -1.865 1.00 0.54 H new ATOM 0 HB THR A 58 12.193 6.105 -1.960 1.00 0.69 H new ATOM 0 HG1 THR A 58 13.725 7.721 -1.115 1.00 1.32 H new ATOM 0 HG21 THR A 58 11.835 7.392 0.125 1.00 1.17 H new ATOM 0 HG22 THR A 58 11.145 5.753 0.194 1.00 1.17 H new ATOM 0 HG23 THR A 58 12.674 6.111 1.032 1.00 1.17 H new ATOM 930 N ARG A 59 14.763 4.594 0.702 1.00 0.59 N ATOM 931 CA ARG A 59 15.345 4.267 2.008 1.00 0.63 C ATOM 932 C ARG A 59 14.448 4.785 3.143 1.00 0.69 C ATOM 933 O ARG A 59 14.083 5.965 3.164 1.00 0.83 O ATOM 934 CB ARG A 59 16.771 4.865 2.101 1.00 0.78 C ATOM 935 CG ARG A 59 17.168 5.394 3.478 1.00 1.38 C ATOM 936 CD ARG A 59 18.664 5.683 3.564 1.00 1.32 C ATOM 937 NE ARG A 59 19.108 6.675 2.571 1.00 1.45 N ATOM 938 CZ ARG A 59 19.658 6.370 1.388 1.00 1.72 C ATOM 939 NH1 ARG A 59 19.825 5.101 1.030 1.00 2.35 N ATOM 940 NH2 ARG A 59 20.023 7.336 0.555 1.00 2.08 N ATOM 0 H ARG A 59 15.239 5.357 0.220 1.00 0.59 H new ATOM 0 HA ARG A 59 15.414 3.184 2.113 1.00 0.63 H new ATOM 0 HB2 ARG A 59 17.488 4.100 1.803 1.00 0.78 H new ATOM 0 HB3 ARG A 59 16.854 5.678 1.380 1.00 0.78 H new ATOM 0 HG2 ARG A 59 16.609 6.305 3.693 1.00 1.38 H new ATOM 0 HG3 ARG A 59 16.894 4.665 4.240 1.00 1.38 H new ATOM 0 HD2 ARG A 59 18.903 6.044 4.564 1.00 1.32 H new ATOM 0 HD3 ARG A 59 19.218 4.756 3.418 1.00 1.32 H new ATOM 0 HE ARG A 59 18.989 7.662 2.799 1.00 1.45 H new ATOM 0 HH11 ARG A 59 19.534 4.351 1.658 1.00 2.35 H new ATOM 0 HH12 ARG A 59 20.244 4.877 0.128 1.00 2.35 H new ATOM 0 HH21 ARG A 59 19.885 8.313 0.815 1.00 2.08 H new ATOM 0 HH22 ARG A 59 20.442 7.102 -0.345 1.00 2.08 H new ATOM 954 N ASN A 60 14.107 3.901 4.085 1.00 0.68 N ATOM 955 CA ASN A 60 13.258 4.261 5.231 1.00 0.81 C ATOM 956 C ASN A 60 14.092 4.826 6.390 1.00 0.95 C ATOM 957 O ASN A 60 15.097 5.504 6.171 1.00 1.04 O ATOM 958 CB ASN A 60 12.394 3.053 5.675 1.00 0.82 C ATOM 959 CG ASN A 60 13.183 1.856 6.202 1.00 0.78 C ATOM 960 OD1 ASN A 60 14.412 1.891 6.300 1.00 1.00 O ATOM 961 ND2 ASN A 60 12.472 0.797 6.568 1.00 0.83 N ATOM 0 H ASN A 60 14.406 2.926 4.079 1.00 0.68 H new ATOM 0 HA ASN A 60 12.579 5.053 4.915 1.00 0.81 H new ATOM 0 HB2 ASN A 60 11.704 3.384 6.451 1.00 0.82 H new ATOM 0 HB3 ASN A 60 11.790 2.727 4.829 1.00 0.82 H new ATOM 0 HD21 ASN A 60 12.941 -0.026 6.946 1.00 0.83 H new ATOM 0 HD22 ASN A 60 11.457 0.806 6.472 1.00 0.83 H new ATOM 968 N ALA A 61 13.652 4.567 7.622 1.00 1.04 N ATOM 969 CA ALA A 61 14.327 5.072 8.821 1.00 1.20 C ATOM 970 C ALA A 61 15.637 4.328 9.121 1.00 1.20 C ATOM 971 O ALA A 61 16.490 4.855 9.839 1.00 1.38 O ATOM 972 CB ALA A 61 13.387 4.991 10.020 1.00 1.32 C ATOM 0 H ALA A 61 12.823 4.005 7.818 1.00 1.04 H new ATOM 0 HA ALA A 61 14.591 6.112 8.629 1.00 1.20 H new ATOM 0 HB1 ALA A 61 13.896 5.368 10.907 1.00 1.32 H new ATOM 0 HB2 ALA A 61 12.499 5.593 9.827 1.00 1.32 H new ATOM 0 HB3 ALA A 61 13.094 3.954 10.183 1.00 1.32 H new ATOM 978 N LYS A 62 15.784 3.092 8.612 1.00 1.07 N ATOM 979 CA LYS A 62 16.992 2.290 8.871 1.00 1.12 C ATOM 980 C LYS A 62 17.653 1.767 7.588 1.00 1.01 C ATOM 981 O LYS A 62 18.051 0.600 7.523 1.00 1.02 O ATOM 982 CB LYS A 62 16.682 1.117 9.819 1.00 1.21 C ATOM 983 CG LYS A 62 16.134 1.547 11.182 1.00 1.40 C ATOM 984 CD LYS A 62 14.610 1.420 11.262 1.00 2.00 C ATOM 985 CE LYS A 62 14.179 0.294 12.195 1.00 2.34 C ATOM 986 NZ LYS A 62 14.572 0.547 13.608 1.00 2.62 N ATOM 0 H LYS A 62 15.089 2.631 8.025 1.00 1.07 H new ATOM 0 HA LYS A 62 17.704 2.963 9.348 1.00 1.12 H new ATOM 0 HB2 LYS A 62 15.959 0.457 9.340 1.00 1.21 H new ATOM 0 HB3 LYS A 62 17.592 0.536 9.971 1.00 1.21 H new ATOM 0 HG2 LYS A 62 16.589 0.937 11.963 1.00 1.40 H new ATOM 0 HG3 LYS A 62 16.421 2.580 11.377 1.00 1.40 H new ATOM 0 HD2 LYS A 62 14.186 2.362 11.610 1.00 2.00 H new ATOM 0 HD3 LYS A 62 14.208 1.238 10.265 1.00 2.00 H new ATOM 0 HE2 LYS A 62 13.097 0.172 12.138 1.00 2.34 H new ATOM 0 HE3 LYS A 62 14.624 -0.643 11.859 1.00 2.34 H new ATOM 0 HZ1 LYS A 62 13.956 0.000 14.243 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 15.561 0.257 13.751 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 14.474 1.561 13.819 1.00 2.62 H new ATOM 1000 N MET A 63 17.824 2.649 6.600 1.00 0.97 N ATOM 1001 CA MET A 63 18.564 2.335 5.362 1.00 0.94 C ATOM 1002 C MET A 63 18.004 1.135 4.574 1.00 0.80 C ATOM 1003 O MET A 63 18.749 0.487 3.828 1.00 0.86 O ATOM 1004 CB MET A 63 20.050 2.087 5.692 1.00 1.12 C ATOM 1005 CG MET A 63 20.609 3.005 6.773 1.00 1.30 C ATOM 1006 SD MET A 63 22.339 3.447 6.492 1.00 2.18 S ATOM 1007 CE MET A 63 23.155 1.885 6.800 1.00 3.12 C ATOM 0 H MET A 63 17.457 3.600 6.629 1.00 0.97 H new ATOM 0 HA MET A 63 18.446 3.204 4.715 1.00 0.94 H new ATOM 0 HB2 MET A 63 20.173 1.052 6.010 1.00 1.12 H new ATOM 0 HB3 MET A 63 20.639 2.213 4.783 1.00 1.12 H new ATOM 0 HG2 MET A 63 20.009 3.914 6.817 1.00 1.30 H new ATOM 0 HG3 MET A 63 20.517 2.515 7.742 1.00 1.30 H new ATOM 0 HE1 MET A 63 24.230 2.003 6.664 1.00 3.12 H new ATOM 0 HE2 MET A 63 22.951 1.563 7.821 1.00 3.12 H new ATOM 0 HE3 MET A 63 22.781 1.136 6.102 1.00 3.12 H new ATOM 1017 N GLU A 64 16.705 0.858 4.698 1.00 0.73 N ATOM 1018 CA GLU A 64 16.084 -0.258 3.976 1.00 0.64 C ATOM 1019 C GLU A 64 15.231 0.251 2.815 1.00 0.52 C ATOM 1020 O GLU A 64 14.386 1.131 2.993 1.00 0.49 O ATOM 1021 CB GLU A 64 15.236 -1.114 4.930 1.00 0.70 C ATOM 1022 CG GLU A 64 16.066 -2.001 5.856 1.00 0.88 C ATOM 1023 CD GLU A 64 16.562 -3.270 5.189 1.00 1.35 C ATOM 1024 OE1 GLU A 64 16.447 -3.382 3.952 1.00 2.03 O ATOM 1025 OE2 GLU A 64 17.073 -4.151 5.902 1.00 1.79 O ATOM 0 H GLU A 64 16.063 1.387 5.288 1.00 0.73 H new ATOM 0 HA GLU A 64 16.880 -0.880 3.567 1.00 0.64 H new ATOM 0 HB2 GLU A 64 14.610 -0.458 5.534 1.00 0.70 H new ATOM 0 HB3 GLU A 64 14.566 -1.742 4.343 1.00 0.70 H new ATOM 0 HG2 GLU A 64 16.922 -1.433 6.221 1.00 0.88 H new ATOM 0 HG3 GLU A 64 15.466 -2.267 6.726 1.00 0.88 H new ATOM 1032 N MET A 65 15.461 -0.315 1.624 1.00 0.52 N ATOM 1033 CA MET A 65 14.699 0.045 0.422 1.00 0.48 C ATOM 1034 C MET A 65 13.281 -0.529 0.501 1.00 0.43 C ATOM 1035 O MET A 65 13.092 -1.738 0.355 1.00 0.62 O ATOM 1036 CB MET A 65 15.406 -0.471 -0.845 1.00 0.58 C ATOM 1037 CG MET A 65 16.467 0.478 -1.385 1.00 0.71 C ATOM 1038 SD MET A 65 15.762 1.793 -2.406 1.00 1.38 S ATOM 1039 CE MET A 65 16.796 3.180 -1.953 1.00 1.18 C ATOM 0 H MET A 65 16.173 -1.028 1.467 1.00 0.52 H new ATOM 0 HA MET A 65 14.639 1.132 0.368 1.00 0.48 H new ATOM 0 HB2 MET A 65 15.870 -1.433 -0.625 1.00 0.58 H new ATOM 0 HB3 MET A 65 14.660 -0.647 -1.620 1.00 0.58 H new ATOM 0 HG2 MET A 65 17.012 0.922 -0.551 1.00 0.71 H new ATOM 0 HG3 MET A 65 17.190 -0.087 -1.974 1.00 0.71 H new ATOM 0 HE1 MET A 65 16.479 4.065 -2.504 1.00 1.18 H new ATOM 0 HE2 MET A 65 16.705 3.367 -0.883 1.00 1.18 H new ATOM 0 HE3 MET A 65 17.834 2.954 -2.195 1.00 1.18 H new ATOM 1049 N VAL A 66 12.299 0.334 0.761 1.00 0.32 N ATOM 1050 CA VAL A 66 10.902 -0.089 0.887 1.00 0.28 C ATOM 1051 C VAL A 66 9.963 0.842 0.113 1.00 0.25 C ATOM 1052 O VAL A 66 10.351 1.935 -0.308 1.00 0.30 O ATOM 1053 CB VAL A 66 10.458 -0.158 2.374 1.00 0.29 C ATOM 1054 CG1 VAL A 66 11.228 -1.242 3.121 1.00 0.32 C ATOM 1055 CG2 VAL A 66 10.634 1.193 3.062 1.00 0.31 C ATOM 0 H VAL A 66 12.445 1.335 0.889 1.00 0.32 H new ATOM 0 HA VAL A 66 10.838 -1.089 0.457 1.00 0.28 H new ATOM 0 HB VAL A 66 9.399 -0.414 2.394 1.00 0.29 H new ATOM 0 HG11 VAL A 66 10.900 -1.271 4.160 1.00 0.32 H new ATOM 0 HG12 VAL A 66 11.041 -2.209 2.654 1.00 0.32 H new ATOM 0 HG13 VAL A 66 12.295 -1.022 3.084 1.00 0.32 H new ATOM 0 HG21 VAL A 66 10.316 1.116 4.102 1.00 0.31 H new ATOM 0 HG22 VAL A 66 11.683 1.486 3.024 1.00 0.31 H new ATOM 0 HG23 VAL A 66 10.029 1.943 2.552 1.00 0.31 H new ATOM 1065 N TYR A 67 8.727 0.378 -0.075 1.00 0.23 N ATOM 1066 CA TYR A 67 7.679 1.139 -0.760 1.00 0.22 C ATOM 1067 C TYR A 67 7.207 2.313 0.102 1.00 0.23 C ATOM 1068 O TYR A 67 7.038 2.173 1.314 1.00 0.36 O ATOM 1069 CB TYR A 67 6.468 0.232 -1.067 1.00 0.22 C ATOM 1070 CG TYR A 67 6.513 -0.490 -2.402 1.00 0.20 C ATOM 1071 CD1 TYR A 67 6.787 0.193 -3.581 1.00 1.16 C ATOM 1072 CD2 TYR A 67 6.196 -1.843 -2.488 1.00 1.15 C ATOM 1073 CE1 TYR A 67 6.793 -0.462 -4.798 1.00 1.13 C ATOM 1074 CE2 TYR A 67 6.200 -2.503 -3.701 1.00 1.19 C ATOM 1075 CZ TYR A 67 6.500 -1.806 -4.852 1.00 0.26 C ATOM 1076 OH TYR A 67 6.505 -2.458 -6.063 1.00 0.32 O ATOM 0 H TYR A 67 8.422 -0.541 0.245 1.00 0.23 H new ATOM 0 HA TYR A 67 8.101 1.519 -1.690 1.00 0.22 H new ATOM 0 HB2 TYR A 67 6.383 -0.511 -0.274 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.564 0.839 -1.033 1.00 0.22 H new ATOM 0 HD1 TYR A 67 6.998 1.252 -3.546 1.00 1.16 H new ATOM 0 HD2 TYR A 67 5.942 -2.386 -1.590 1.00 1.15 H new ATOM 0 HE1 TYR A 67 7.027 0.079 -5.703 1.00 1.13 H new ATOM 0 HE2 TYR A 67 5.970 -3.557 -3.748 1.00 1.19 H new ATOM 0 HH TYR A 67 6.279 -3.402 -5.927 1.00 0.32 H new ATOM 1086 N CYS A 68 6.934 3.438 -0.547 1.00 0.17 N ATOM 1087 CA CYS A 68 6.424 4.635 0.122 1.00 0.17 C ATOM 1088 C CYS A 68 5.541 5.429 -0.837 1.00 0.20 C ATOM 1089 O CYS A 68 5.505 5.150 -2.041 1.00 0.27 O ATOM 1090 CB CYS A 68 7.579 5.507 0.644 1.00 0.16 C ATOM 1091 SG CYS A 68 8.851 5.884 -0.587 1.00 1.61 S ATOM 0 H CYS A 68 7.059 3.549 -1.553 1.00 0.17 H new ATOM 0 HA CYS A 68 5.826 4.326 0.979 1.00 0.17 H new ATOM 0 HB2 CYS A 68 7.168 6.443 1.022 1.00 0.16 H new ATOM 0 HB3 CYS A 68 8.047 5.000 1.488 1.00 0.16 H new ATOM 0 HG CYS A 68 8.659 5.155 -1.646 1.00 1.61 H new ATOM 1097 N LEU A 69 4.799 6.392 -0.300 1.00 0.21 N ATOM 1098 CA LEU A 69 3.879 7.192 -1.107 1.00 0.25 C ATOM 1099 C LEU A 69 4.377 8.629 -1.274 1.00 0.30 C ATOM 1100 O LEU A 69 4.627 9.323 -0.285 1.00 0.41 O ATOM 1101 CB LEU A 69 2.486 7.203 -0.462 1.00 0.36 C ATOM 1102 CG LEU A 69 1.322 7.269 -1.451 1.00 0.48 C ATOM 1103 CD1 LEU A 69 1.191 5.946 -2.201 1.00 0.61 C ATOM 1104 CD2 LEU A 69 0.032 7.608 -0.722 1.00 0.94 C ATOM 0 H LEU A 69 4.815 6.639 0.690 1.00 0.21 H new ATOM 0 HA LEU A 69 3.825 6.735 -2.095 1.00 0.25 H new ATOM 0 HB2 LEU A 69 2.376 6.306 0.147 1.00 0.36 H new ATOM 0 HB3 LEU A 69 2.420 8.057 0.213 1.00 0.36 H new ATOM 0 HG LEU A 69 1.520 8.056 -2.179 1.00 0.48 H new ATOM 0 HD11 LEU A 69 0.359 6.006 -2.902 1.00 0.61 H new ATOM 0 HD12 LEU A 69 2.112 5.745 -2.748 1.00 0.61 H new ATOM 0 HD13 LEU A 69 1.009 5.141 -1.489 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.789 7.652 -1.437 1.00 0.94 H new ATOM 0 HD22 LEU A 69 -0.177 6.841 0.024 1.00 0.94 H new ATOM 0 HD23 LEU A 69 0.136 8.575 -0.229 1.00 0.94 H new ATOM 1116 N PRO A 70 4.484 9.114 -2.528 1.00 0.37 N ATOM 1117 CA PRO A 70 4.841 10.503 -2.813 1.00 0.51 C ATOM 1118 C PRO A 70 3.593 11.395 -2.766 1.00 0.71 C ATOM 1119 O PRO A 70 2.580 11.028 -2.160 1.00 1.00 O ATOM 1120 CB PRO A 70 5.408 10.384 -4.231 1.00 0.70 C ATOM 1121 CG PRO A 70 4.542 9.355 -4.875 1.00 0.64 C ATOM 1122 CD PRO A 70 4.154 8.386 -3.780 1.00 0.41 C ATOM 0 HA PRO A 70 5.536 10.954 -2.105 1.00 0.51 H new ATOM 0 HB2 PRO A 70 5.361 11.335 -4.762 1.00 0.70 H new ATOM 0 HB3 PRO A 70 6.454 10.076 -4.219 1.00 0.70 H new ATOM 0 HG2 PRO A 70 3.659 9.813 -5.321 1.00 0.64 H new ATOM 0 HG3 PRO A 70 5.075 8.844 -5.677 1.00 0.64 H new ATOM 0 HD2 PRO A 70 3.095 8.132 -3.828 1.00 0.41 H new ATOM 0 HD3 PRO A 70 4.710 7.452 -3.858 1.00 0.41 H new ATOM 1130 N ALA A 71 3.647 12.538 -3.438 1.00 0.96 N ATOM 1131 CA ALA A 71 2.480 13.421 -3.551 1.00 1.23 C ATOM 1132 C ALA A 71 1.436 12.782 -4.480 1.00 1.34 C ATOM 1133 O ALA A 71 1.753 11.849 -5.227 1.00 1.89 O ATOM 1134 CB ALA A 71 2.892 14.810 -4.047 1.00 1.66 C ATOM 0 H ALA A 71 4.482 12.880 -3.914 1.00 0.96 H new ATOM 0 HA ALA A 71 2.034 13.549 -2.565 1.00 1.23 H new ATOM 0 HB1 ALA A 71 2.010 15.446 -4.122 1.00 1.66 H new ATOM 0 HB2 ALA A 71 3.599 15.252 -3.345 1.00 1.66 H new ATOM 0 HB3 ALA A 71 3.361 14.722 -5.027 1.00 1.66 H new ATOM 1140 N GLU A 72 0.193 13.264 -4.414 1.00 1.48 N ATOM 1141 CA GLU A 72 -0.907 12.703 -5.210 1.00 1.76 C ATOM 1142 C GLU A 72 -0.589 12.703 -6.709 1.00 1.89 C ATOM 1143 O GLU A 72 -0.537 13.758 -7.345 1.00 2.17 O ATOM 1144 CB GLU A 72 -2.201 13.475 -4.936 1.00 2.19 C ATOM 1145 CG GLU A 72 -2.571 13.514 -3.454 1.00 2.59 C ATOM 1146 CD GLU A 72 -4.064 13.478 -3.216 1.00 3.17 C ATOM 1147 OE1 GLU A 72 -4.739 14.462 -3.562 1.00 3.59 O ATOM 1148 OE2 GLU A 72 -4.556 12.472 -2.672 1.00 3.75 O ATOM 0 H GLU A 72 -0.080 14.044 -3.816 1.00 1.48 H new ATOM 0 HA GLU A 72 -1.038 11.664 -4.908 1.00 1.76 H new ATOM 0 HB2 GLU A 72 -2.094 14.495 -5.305 1.00 2.19 H new ATOM 0 HB3 GLU A 72 -3.016 13.017 -5.496 1.00 2.19 H new ATOM 0 HG2 GLU A 72 -2.107 12.668 -2.947 1.00 2.59 H new ATOM 0 HG3 GLU A 72 -2.159 14.418 -3.006 1.00 2.59 H new ATOM 1155 N LEU A 73 -0.315 11.506 -7.238 1.00 2.03 N ATOM 1156 CA LEU A 73 0.030 11.317 -8.647 1.00 2.45 C ATOM 1157 C LEU A 73 -1.159 10.732 -9.412 1.00 3.07 C ATOM 1158 O LEU A 73 -1.385 9.517 -9.404 1.00 3.39 O ATOM 1159 CB LEU A 73 1.265 10.401 -8.778 1.00 2.45 C ATOM 1160 CG LEU A 73 2.625 11.113 -8.698 1.00 2.84 C ATOM 1161 CD1 LEU A 73 3.747 10.100 -8.525 1.00 3.20 C ATOM 1162 CD2 LEU A 73 2.866 11.963 -9.939 1.00 3.46 C ATOM 0 H LEU A 73 -0.327 10.641 -6.698 1.00 2.03 H new ATOM 0 HA LEU A 73 0.274 12.287 -9.080 1.00 2.45 H new ATOM 0 HB2 LEU A 73 1.222 9.647 -7.992 1.00 2.45 H new ATOM 0 HB3 LEU A 73 1.206 9.873 -9.730 1.00 2.45 H new ATOM 0 HG LEU A 73 2.612 11.772 -7.830 1.00 2.84 H new ATOM 0 HD11 LEU A 73 4.703 10.621 -8.470 1.00 3.20 H new ATOM 0 HD12 LEU A 73 3.589 9.535 -7.606 1.00 3.20 H new ATOM 0 HD13 LEU A 73 3.755 9.417 -9.374 1.00 3.20 H new ATOM 0 HD21 LEU A 73 3.834 12.457 -9.859 1.00 3.46 H new ATOM 0 HD22 LEU A 73 2.855 11.326 -10.824 1.00 3.46 H new ATOM 0 HD23 LEU A 73 2.081 12.715 -10.023 1.00 3.46 H new ATOM 1174 N GLY A 74 -1.922 11.610 -10.050 1.00 3.54 N ATOM 1175 CA GLY A 74 -3.094 11.201 -10.810 1.00 4.27 C ATOM 1176 C GLY A 74 -3.597 12.310 -11.718 1.00 4.79 C ATOM 1177 O GLY A 74 -3.664 12.138 -12.938 1.00 5.47 O ATOM 0 H GLY A 74 -1.748 12.615 -10.055 1.00 3.54 H new ATOM 0 HA2 GLY A 74 -2.850 10.324 -11.409 1.00 4.27 H new ATOM 0 HA3 GLY A 74 -3.887 10.907 -10.123 1.00 4.27 H new ATOM 1181 N VAL A 75 -3.936 13.454 -11.123 1.00 4.77 N ATOM 1182 CA VAL A 75 -4.410 14.621 -11.867 1.00 5.51 C ATOM 1183 C VAL A 75 -4.390 15.863 -10.967 1.00 5.62 C ATOM 1184 O VAL A 75 -4.974 15.863 -9.881 1.00 5.34 O ATOM 1185 CB VAL A 75 -5.833 14.396 -12.457 1.00 5.98 C ATOM 1186 CG1 VAL A 75 -6.845 14.032 -11.374 1.00 6.16 C ATOM 1187 CG2 VAL A 75 -6.309 15.610 -13.253 1.00 6.50 C ATOM 0 H VAL A 75 -3.890 13.598 -10.114 1.00 4.77 H new ATOM 0 HA VAL A 75 -3.733 14.776 -12.707 1.00 5.51 H new ATOM 0 HB VAL A 75 -5.760 13.551 -13.142 1.00 5.98 H new ATOM 0 HG11 VAL A 75 -7.825 13.883 -11.827 1.00 6.16 H new ATOM 0 HG12 VAL A 75 -6.532 13.114 -10.877 1.00 6.16 H new ATOM 0 HG13 VAL A 75 -6.902 14.839 -10.643 1.00 6.16 H new ATOM 0 HG21 VAL A 75 -7.306 15.417 -13.650 1.00 6.50 H new ATOM 0 HG22 VAL A 75 -6.341 16.483 -12.601 1.00 6.50 H new ATOM 0 HG23 VAL A 75 -5.621 15.798 -14.077 1.00 6.50 H new ATOM 1197 N PRO A 76 -3.705 16.942 -11.400 1.00 6.42 N ATOM 1198 CA PRO A 76 -3.612 18.188 -10.626 1.00 6.97 C ATOM 1199 C PRO A 76 -4.893 19.025 -10.723 1.00 7.29 C ATOM 1200 O PRO A 76 -4.983 19.961 -11.520 1.00 7.83 O ATOM 1201 CB PRO A 76 -2.419 18.902 -11.275 1.00 7.90 C ATOM 1202 CG PRO A 76 -2.436 18.446 -12.696 1.00 8.03 C ATOM 1203 CD PRO A 76 -2.975 17.036 -12.684 1.00 7.16 C ATOM 0 HA PRO A 76 -3.484 18.016 -9.557 1.00 6.97 H new ATOM 0 HB2 PRO A 76 -2.519 19.985 -11.205 1.00 7.90 H new ATOM 0 HB3 PRO A 76 -1.483 18.636 -10.784 1.00 7.90 H new ATOM 0 HG2 PRO A 76 -3.063 19.097 -13.305 1.00 8.03 H new ATOM 0 HG3 PRO A 76 -1.435 18.475 -13.125 1.00 8.03 H new ATOM 0 HD2 PRO A 76 -3.635 16.854 -13.532 1.00 7.16 H new ATOM 0 HD3 PRO A 76 -2.172 16.301 -12.741 1.00 7.16 H new ATOM 1211 N THR A 77 -5.891 18.664 -9.917 1.00 7.25 N ATOM 1212 CA THR A 77 -7.186 19.351 -9.914 1.00 7.86 C ATOM 1213 C THR A 77 -7.110 20.714 -9.196 1.00 8.48 C ATOM 1214 O THR A 77 -7.930 21.602 -9.449 1.00 8.73 O ATOM 1215 CB THR A 77 -8.254 18.431 -9.274 1.00 7.90 C ATOM 1216 OG1 THR A 77 -9.545 18.738 -9.773 1.00 8.72 O ATOM 1217 CG2 THR A 77 -8.314 18.469 -7.746 1.00 7.87 C ATOM 0 H THR A 77 -5.828 17.893 -9.252 1.00 7.25 H new ATOM 0 HA THR A 77 -7.471 19.562 -10.945 1.00 7.86 H new ATOM 0 HB THR A 77 -7.941 17.425 -9.555 1.00 7.90 H new ATOM 0 HG1 THR A 77 -10.206 18.145 -9.358 1.00 8.72 H new ATOM 0 HG21 THR A 77 -9.093 17.791 -7.395 1.00 7.87 H new ATOM 0 HG22 THR A 77 -7.352 18.160 -7.336 1.00 7.87 H new ATOM 0 HG23 THR A 77 -8.540 19.483 -7.416 1.00 7.87 H new ATOM 1225 N THR A 78 -6.107 20.880 -8.326 1.00 9.01 N ATOM 1226 CA THR A 78 -5.894 22.133 -7.603 1.00 9.88 C ATOM 1227 C THR A 78 -4.388 22.390 -7.440 1.00 10.40 C ATOM 1228 O THR A 78 -3.646 21.431 -7.133 1.00 10.57 O ATOM 1229 CB THR A 78 -6.622 22.102 -6.238 1.00 10.27 C ATOM 1230 OG1 THR A 78 -6.363 23.281 -5.485 1.00 10.30 O ATOM 1231 CG2 THR A 78 -6.263 20.912 -5.366 1.00 10.39 C ATOM 1232 OXT THR A 78 -3.952 23.527 -7.703 1.00 10.83 O ATOM 0 H THR A 78 -5.426 20.153 -8.106 1.00 9.01 H new ATOM 0 HA THR A 78 -6.317 22.958 -8.177 1.00 9.88 H new ATOM 0 HB THR A 78 -7.677 22.025 -6.501 1.00 10.27 H new ATOM 0 HG1 THR A 78 -6.837 23.233 -4.629 1.00 10.30 H new ATOM 0 HG21 THR A 78 -6.817 20.967 -4.429 1.00 10.39 H new ATOM 0 HG22 THR A 78 -6.521 19.989 -5.886 1.00 10.39 H new ATOM 0 HG23 THR A 78 -5.193 20.924 -5.157 1.00 10.39 H new TER 1240 THR A 78