USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 123:sc= 0.927 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 1 MET CE :methyl -175:sc= -0.0145 (180deg=-0.0874) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.28 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.39) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.02) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0942 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : A 25 ASN : amide:sc= -0.0123 K(o=-0.012,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0.998 (180deg=0.596) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.167 K(o=-0.17,f=-2) USER MOD Single : A 41 GLN : amide:sc= 0.936 K(o=0.94,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.602 K(o=0.6,f=-0.88) USER MOD Single : A 55 THR OG1 : rot -76:sc= 1.07 USER MOD Single : A 57 SER OG : rot 67:sc= 0.645 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.16 USER MOD Single : A 60 ASN : amide:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 100:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.52 K(o=0.52,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.836 2.443 -4.513 1.00 9.67 N ATOM 2 CA MET A 1 -12.884 3.130 -3.203 1.00 10.38 C ATOM 3 C MET A 1 -11.576 3.803 -2.964 1.00 9.62 C ATOM 4 O MET A 1 -10.545 3.568 -3.592 1.00 9.62 O ATOM 5 CB MET A 1 -13.133 2.177 -2.022 1.00 13.77 C ATOM 6 CG MET A 1 -12.155 1.033 -1.747 1.00 16.29 C ATOM 7 SD MET A 1 -12.806 -0.186 -0.565 1.00 17.17 S ATOM 8 CE MET A 1 -11.141 -0.888 -0.392 1.00 16.11 C ATOM 0 H1 MET A 1 -13.528 1.667 -4.524 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.064 3.120 -5.269 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.882 2.058 -4.669 1.00 9.67 H new ATOM 0 HA MET A 1 -13.716 3.833 -3.251 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.184 2.785 -1.119 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.119 1.734 -2.164 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.918 0.531 -2.685 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.222 1.444 -1.361 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.184 -1.774 0.241 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.758 -1.162 -1.375 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.480 -0.149 0.062 1.00 16.11 H new ATOM 20 N GLN A 2 -11.538 4.843 -2.112 1.00 9.27 N ATOM 21 CA GLN A 2 -10.376 5.670 -2.003 1.00 9.07 C ATOM 22 C GLN A 2 -9.514 5.316 -0.841 1.00 8.72 C ATOM 23 O GLN A 2 -9.985 5.105 0.275 1.00 8.22 O ATOM 24 CB GLN A 2 -10.900 7.098 -1.778 1.00 14.46 C ATOM 25 CG GLN A 2 -9.880 8.226 -1.947 1.00 17.01 C ATOM 26 CD GLN A 2 -10.593 9.566 -1.833 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.141 9.862 -0.772 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.531 10.372 -2.927 1.00 19.49 N ATOM 0 H GLN A 2 -12.309 5.111 -1.500 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.769 5.551 -2.901 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.723 7.274 -2.470 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -11.312 7.157 -0.771 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.104 8.148 -1.186 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -9.386 8.144 -2.915 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.056 10.051 -3.771 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.959 11.298 -2.904 1.00 19.49 H new ATOM 37 N ILE A 3 -8.194 5.199 -1.071 1.00 5.87 N ATOM 38 CA ILE A 3 -7.284 4.953 0.005 1.00 5.07 C ATOM 39 C ILE A 3 -6.281 6.051 0.096 1.00 4.01 C ATOM 40 O ILE A 3 -6.005 6.757 -0.873 1.00 4.61 O ATOM 41 CB ILE A 3 -6.580 3.629 0.047 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.757 3.368 -1.227 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.600 2.505 0.292 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.442 2.606 -1.074 1.00 10.83 C ATOM 0 H ILE A 3 -7.760 5.274 -1.991 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.945 4.919 0.871 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.870 3.650 0.874 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.386 2.817 -1.926 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.536 4.331 -1.688 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.084 1.545 0.322 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.107 2.674 1.242 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.334 2.498 -0.514 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.970 2.495 -2.050 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.777 3.158 -0.410 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -4.640 1.620 -0.652 1.00 10.83 H new ATOM 56 N PHE A 4 -5.702 6.285 1.287 1.00 4.55 N ATOM 57 CA PHE A 4 -4.822 7.394 1.484 1.00 4.68 C ATOM 58 C PHE A 4 -3.540 6.837 2.002 1.00 5.30 C ATOM 59 O PHE A 4 -3.593 6.132 3.008 1.00 5.58 O ATOM 60 CB PHE A 4 -5.395 8.377 2.520 1.00 4.83 C ATOM 61 CG PHE A 4 -6.853 8.603 2.315 1.00 7.97 C ATOM 62 CD1 PHE A 4 -7.320 9.279 1.212 1.00 6.69 C ATOM 63 CD2 PHE A 4 -7.668 8.389 3.402 1.00 8.34 C ATOM 64 CE1 PHE A 4 -8.622 9.716 1.153 1.00 9.10 C ATOM 65 CE2 PHE A 4 -8.961 8.854 3.371 1.00 10.61 C ATOM 66 CZ PHE A 4 -9.399 9.563 2.277 1.00 8.90 C ATOM 0 H PHE A 4 -5.844 5.705 2.114 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.686 7.936 0.548 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.224 7.989 3.524 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.866 9.328 2.452 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.656 9.469 0.382 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -7.297 7.862 4.269 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -9.021 10.164 0.255 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -9.628 8.664 4.199 1.00 10.61 H new ATOM 0 HZ PHE A 4 -10.381 10.012 2.301 1.00 8.90 H new ATOM 76 N VAL A 5 -2.390 7.113 1.361 1.00 4.44 N ATOM 77 CA VAL A 5 -1.109 6.606 1.744 1.00 3.87 C ATOM 78 C VAL A 5 -0.266 7.699 2.304 1.00 4.93 C ATOM 79 O VAL A 5 0.373 8.502 1.626 1.00 6.84 O ATOM 80 CB VAL A 5 -0.402 5.887 0.634 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.869 5.228 1.198 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.448 4.840 0.216 1.00 9.13 C ATOM 0 H VAL A 5 -2.352 7.716 0.539 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.283 5.859 2.519 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.078 6.514 -0.197 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.391 4.702 0.399 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.522 5.995 1.615 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.595 4.520 1.980 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.053 4.237 -0.601 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.677 4.196 1.065 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.357 5.345 -0.112 1.00 9.13 H new ATOM 92 N LYS A 6 -0.122 7.768 3.639 1.00 6.04 N ATOM 93 CA LYS A 6 0.804 8.707 4.194 1.00 6.12 C ATOM 94 C LYS A 6 2.228 8.272 4.257 1.00 6.57 C ATOM 95 O LYS A 6 2.674 7.258 4.790 1.00 5.76 O ATOM 96 CB LYS A 6 0.388 9.092 5.624 1.00 7.45 C ATOM 97 CG LYS A 6 -1.005 9.724 5.630 1.00 11.12 C ATOM 98 CD LYS A 6 -1.571 9.946 7.034 1.00 14.54 C ATOM 99 CE LYS A 6 -2.889 10.702 6.861 1.00 18.84 C ATOM 100 NZ LYS A 6 -3.248 11.343 8.145 1.00 20.55 N ATOM 0 H LYS A 6 -0.627 7.195 4.315 1.00 6.04 H new ATOM 0 HA LYS A 6 0.759 9.542 3.495 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.394 8.207 6.261 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.112 9.791 6.043 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.963 10.680 5.109 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.687 9.085 5.069 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.734 8.995 7.541 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.874 10.518 7.646 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.792 11.455 6.079 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.678 10.018 6.548 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -4.144 11.860 8.036 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.356 10.614 8.879 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.497 12.006 8.424 1.00 20.55 H new ATOM 114 N THR A 7 3.062 9.149 3.670 1.00 7.41 N ATOM 115 CA THR A 7 4.467 8.928 3.516 1.00 7.48 C ATOM 116 C THR A 7 5.229 9.193 4.768 1.00 8.75 C ATOM 117 O THR A 7 4.738 9.608 5.817 1.00 8.58 O ATOM 118 CB THR A 7 5.068 9.740 2.407 1.00 9.61 C ATOM 119 OG1 THR A 7 5.084 11.120 2.742 1.00 11.78 O ATOM 120 CG2 THR A 7 4.379 9.643 1.036 1.00 9.17 C ATOM 0 H THR A 7 2.748 10.042 3.290 1.00 7.41 H new ATOM 0 HA THR A 7 4.552 7.871 3.263 1.00 7.48 H new ATOM 0 HB THR A 7 6.062 9.304 2.308 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.004 11.456 2.700 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.905 10.274 0.319 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.398 8.609 0.692 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.345 9.978 1.124 1.00 9.17 H new ATOM 128 N LEU A 8 6.541 8.896 4.744 1.00 9.84 N ATOM 129 CA LEU A 8 7.288 9.077 5.949 1.00 14.15 C ATOM 130 C LEU A 8 7.547 10.528 6.172 1.00 17.37 C ATOM 131 O LEU A 8 7.677 11.025 7.289 1.00 17.01 O ATOM 132 CB LEU A 8 8.620 8.309 5.962 1.00 16.63 C ATOM 133 CG LEU A 8 9.298 8.108 7.328 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.346 7.573 8.412 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.489 7.137 7.274 1.00 19.31 C ATOM 0 H LEU A 8 7.062 8.549 3.938 1.00 9.84 H new ATOM 0 HA LEU A 8 6.679 8.668 6.755 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.449 7.327 5.521 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.319 8.833 5.311 1.00 16.63 H new ATOM 0 HG LEU A 8 9.635 9.112 7.587 1.00 18.88 H new ATOM 0 HD11 LEU A 8 8.891 7.455 9.349 1.00 18.59 H new ATOM 0 HD12 LEU A 8 7.526 8.276 8.555 1.00 18.59 H new ATOM 0 HD13 LEU A 8 7.946 6.608 8.101 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.923 7.038 8.269 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.147 6.161 6.929 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.242 7.522 6.586 1.00 19.31 H new ATOM 147 N THR A 9 7.786 11.325 5.116 1.00 18.33 N ATOM 148 CA THR A 9 7.866 12.753 5.120 1.00 19.24 C ATOM 149 C THR A 9 6.638 13.491 5.532 1.00 19.48 C ATOM 150 O THR A 9 6.799 14.488 6.234 1.00 23.14 O ATOM 151 CB THR A 9 8.454 13.301 3.854 1.00 18.97 C ATOM 152 OG1 THR A 9 7.883 12.712 2.695 1.00 20.24 O ATOM 153 CG2 THR A 9 9.968 13.040 3.772 1.00 19.70 C ATOM 0 H THR A 9 7.935 10.938 4.184 1.00 18.33 H new ATOM 0 HA THR A 9 8.562 12.950 5.935 1.00 19.24 H new ATOM 0 HB THR A 9 8.240 14.369 3.882 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.294 13.100 1.894 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.358 13.451 2.841 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.466 13.517 4.616 1.00 19.70 H new ATOM 0 HG23 THR A 9 10.154 11.966 3.800 1.00 19.70 H new ATOM 161 N GLY A 10 5.424 13.041 5.169 1.00 19.43 N ATOM 162 CA GLY A 10 4.190 13.615 5.608 1.00 18.74 C ATOM 163 C GLY A 10 3.413 14.159 4.458 1.00 17.62 C ATOM 164 O GLY A 10 2.874 15.261 4.540 1.00 19.74 O ATOM 0 H GLY A 10 5.297 12.245 4.544 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.598 12.861 6.126 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.390 14.411 6.325 1.00 18.74 H new ATOM 168 N LYS A 11 3.337 13.425 3.334 1.00 13.56 N ATOM 169 CA LYS A 11 2.350 13.633 2.320 1.00 11.91 C ATOM 170 C LYS A 11 1.330 12.555 2.183 1.00 10.18 C ATOM 171 O LYS A 11 1.603 11.385 2.445 1.00 9.10 O ATOM 172 CB LYS A 11 3.122 13.832 1.005 1.00 13.43 C ATOM 173 CG LYS A 11 2.368 14.285 -0.247 1.00 16.69 C ATOM 174 CD LYS A 11 3.312 14.348 -1.450 1.00 17.92 C ATOM 175 CE LYS A 11 3.811 12.968 -1.883 1.00 20.81 C ATOM 176 NZ LYS A 11 4.939 13.023 -2.840 1.00 21.93 N ATOM 0 H LYS A 11 3.982 12.663 3.124 1.00 13.56 H new ATOM 0 HA LYS A 11 1.754 14.501 2.600 1.00 11.91 H new ATOM 0 HB2 LYS A 11 3.909 14.562 1.195 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.613 12.888 0.768 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.550 13.595 -0.455 1.00 16.69 H new ATOM 0 HG3 LYS A 11 1.923 15.265 -0.075 1.00 16.69 H new ATOM 0 HD2 LYS A 11 2.797 14.822 -2.286 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.167 14.978 -1.203 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.120 12.409 -1.000 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.986 12.418 -2.336 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.443 12.114 -2.835 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.575 13.211 -3.796 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.593 13.783 -2.563 1.00 21.93 H new ATOM 190 N THR A 12 0.104 12.880 1.734 1.00 9.63 N ATOM 191 CA THR A 12 -0.880 11.897 1.404 1.00 9.85 C ATOM 192 C THR A 12 -0.944 11.583 -0.052 1.00 11.66 C ATOM 193 O THR A 12 -1.148 12.444 -0.907 1.00 12.33 O ATOM 194 CB THR A 12 -2.280 12.327 1.730 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.344 12.559 3.129 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.428 11.356 1.408 1.00 9.63 C ATOM 0 H THR A 12 -0.209 13.841 1.598 1.00 9.63 H new ATOM 0 HA THR A 12 -0.557 11.041 1.997 1.00 9.85 H new ATOM 0 HB THR A 12 -2.442 13.193 1.089 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.250 12.844 3.372 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.377 11.806 1.699 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.439 11.147 0.338 1.00 9.63 H new ATOM 0 HG23 THR A 12 -3.283 10.426 1.958 1.00 9.63 H new ATOM 204 N ILE A 13 -0.610 10.329 -0.404 1.00 10.42 N ATOM 205 CA ILE A 13 -0.765 9.729 -1.693 1.00 11.84 C ATOM 206 C ILE A 13 -2.062 9.003 -1.796 1.00 10.55 C ATOM 207 O ILE A 13 -2.270 7.833 -1.479 1.00 11.92 O ATOM 208 CB ILE A 13 0.360 8.782 -1.987 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.700 9.388 -1.536 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.349 8.375 -3.470 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.784 8.339 -1.776 1.00 16.46 C ATOM 0 H ILE A 13 -0.198 9.683 0.269 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.751 10.535 -2.426 1.00 11.84 H new ATOM 0 HB ILE A 13 0.223 7.865 -1.414 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.917 10.298 -2.096 1.00 14.87 H new ATOM 0 HG13 ILE A 13 1.660 9.664 -0.482 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.172 7.688 -3.665 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.596 7.886 -3.706 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.463 9.263 -4.092 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.750 8.737 -1.466 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.558 7.443 -1.197 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.818 8.087 -2.836 1.00 16.46 H new ATOM 223 N THR A 14 -3.047 9.774 -2.292 1.00 9.39 N ATOM 224 CA THR A 14 -4.407 9.338 -2.366 1.00 9.63 C ATOM 225 C THR A 14 -4.690 8.506 -3.569 1.00 11.20 C ATOM 226 O THR A 14 -4.762 9.060 -4.665 1.00 11.63 O ATOM 227 CB THR A 14 -5.318 10.523 -2.500 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.112 11.457 -1.451 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.793 10.088 -2.451 1.00 11.66 C ATOM 0 H THR A 14 -2.896 10.718 -2.648 1.00 9.39 H new ATOM 0 HA THR A 14 -4.573 8.761 -1.456 1.00 9.63 H new ATOM 0 HB THR A 14 -5.088 10.985 -3.460 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.718 12.218 -1.567 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.434 10.964 -2.550 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.996 9.396 -3.268 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.996 9.596 -1.500 1.00 11.66 H new ATOM 237 N LEU A 15 -4.846 7.174 -3.461 1.00 8.29 N ATOM 238 CA LEU A 15 -4.914 6.276 -4.572 1.00 9.03 C ATOM 239 C LEU A 15 -6.352 5.888 -4.626 1.00 8.59 C ATOM 240 O LEU A 15 -7.014 5.914 -3.590 1.00 7.79 O ATOM 241 CB LEU A 15 -4.092 4.978 -4.521 1.00 11.08 C ATOM 242 CG LEU A 15 -2.574 5.191 -4.396 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.840 3.847 -4.245 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.028 5.848 -5.675 1.00 15.88 C ATOM 0 H LEU A 15 -4.928 6.703 -2.560 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.491 6.803 -5.427 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.433 4.379 -3.676 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.292 4.400 -5.423 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.407 5.819 -3.521 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.768 4.025 -4.159 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.196 3.336 -3.350 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.035 3.226 -5.119 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.952 5.995 -5.578 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.230 5.203 -6.530 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.514 6.812 -5.825 1.00 15.88 H new ATOM 256 N GLU A 16 -6.929 5.407 -5.742 1.00 11.04 N ATOM 257 CA GLU A 16 -8.179 4.720 -5.839 1.00 11.50 C ATOM 258 C GLU A 16 -7.909 3.298 -6.195 1.00 10.13 C ATOM 259 O GLU A 16 -7.091 3.052 -7.080 1.00 9.83 O ATOM 260 CB GLU A 16 -9.197 5.330 -6.818 1.00 17.22 C ATOM 261 CG GLU A 16 -9.601 6.772 -6.505 1.00 23.33 C ATOM 262 CD GLU A 16 -10.635 7.460 -7.385 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.774 6.951 -7.563 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.437 8.642 -7.775 1.00 28.90 O ATOM 0 H GLU A 16 -6.481 5.509 -6.653 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.655 4.813 -4.863 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.779 5.295 -7.824 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.093 4.709 -6.823 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.975 6.793 -5.481 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.696 7.379 -6.527 1.00 23.33 H new ATOM 271 N VAL A 17 -8.573 2.379 -5.471 1.00 8.99 N ATOM 272 CA VAL A 17 -8.262 0.989 -5.597 1.00 8.85 C ATOM 273 C VAL A 17 -9.596 0.335 -5.481 1.00 8.04 C ATOM 274 O VAL A 17 -10.597 0.934 -5.089 1.00 8.99 O ATOM 275 CB VAL A 17 -7.399 0.394 -4.524 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.062 1.151 -4.605 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.958 0.812 -3.154 1.00 10.54 C ATOM 0 H VAL A 17 -9.316 2.594 -4.806 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.699 0.846 -6.520 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.334 -0.688 -4.639 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.380 0.767 -3.846 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.623 1.010 -5.593 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.234 2.213 -4.433 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.340 0.386 -2.364 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.951 1.899 -3.074 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.980 0.447 -3.051 1.00 10.54 H new ATOM 287 N GLU A 18 -9.798 -0.966 -5.755 1.00 7.29 N ATOM 288 CA GLU A 18 -10.927 -1.782 -5.435 1.00 7.08 C ATOM 289 C GLU A 18 -10.489 -2.557 -4.240 1.00 6.45 C ATOM 290 O GLU A 18 -9.294 -2.562 -3.947 1.00 5.28 O ATOM 291 CB GLU A 18 -11.443 -2.683 -6.570 1.00 10.28 C ATOM 292 CG GLU A 18 -11.886 -1.966 -7.846 1.00 12.65 C ATOM 293 CD GLU A 18 -12.949 -0.885 -7.702 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.879 -1.078 -6.873 1.00 18.17 O ATOM 295 OE2 GLU A 18 -12.948 0.094 -8.494 1.00 14.33 O ATOM 0 H GLU A 18 -9.090 -1.502 -6.256 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.801 -1.158 -5.248 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.657 -3.392 -6.830 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.285 -3.264 -6.192 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.005 -1.515 -8.304 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.259 -2.716 -8.543 1.00 12.65 H new ATOM 302 N PRO A 19 -11.280 -3.343 -3.571 1.00 7.24 N ATOM 303 CA PRO A 19 -10.774 -4.246 -2.578 1.00 7.07 C ATOM 304 C PRO A 19 -10.145 -5.497 -3.088 1.00 6.65 C ATOM 305 O PRO A 19 -9.383 -6.104 -2.337 1.00 6.37 O ATOM 306 CB PRO A 19 -11.950 -4.422 -1.620 1.00 7.61 C ATOM 307 CG PRO A 19 -13.161 -4.329 -2.562 1.00 8.16 C ATOM 308 CD PRO A 19 -12.732 -3.251 -3.570 1.00 7.49 C ATOM 0 HA PRO A 19 -9.899 -3.840 -2.070 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -11.912 -5.380 -1.101 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.970 -3.646 -0.855 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.366 -5.281 -3.052 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.067 -4.044 -2.028 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.147 -3.440 -4.560 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.071 -2.260 -3.266 1.00 7.49 H new ATOM 316 N SER A 20 -10.367 -5.843 -4.368 1.00 6.80 N ATOM 317 CA SER A 20 -9.811 -6.952 -5.081 1.00 6.28 C ATOM 318 C SER A 20 -8.407 -6.756 -5.540 1.00 8.45 C ATOM 319 O SER A 20 -7.746 -7.646 -6.072 1.00 7.26 O ATOM 320 CB SER A 20 -10.847 -7.202 -6.189 1.00 8.57 C ATOM 321 OG SER A 20 -11.069 -6.050 -6.990 1.00 11.13 O ATOM 0 H SER A 20 -10.994 -5.295 -4.957 1.00 6.80 H new ATOM 0 HA SER A 20 -9.669 -7.832 -4.454 1.00 6.28 H new ATOM 0 HB2 SER A 20 -10.508 -8.022 -6.822 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.789 -7.516 -5.739 1.00 8.57 H new ATOM 0 HG SER A 20 -11.733 -6.255 -7.681 1.00 11.13 H new ATOM 327 N ASP A 21 -7.796 -5.569 -5.375 1.00 7.50 N ATOM 328 CA ASP A 21 -6.452 -5.232 -5.730 1.00 7.70 C ATOM 329 C ASP A 21 -5.448 -5.890 -4.847 1.00 7.08 C ATOM 330 O ASP A 21 -5.801 -6.060 -3.681 1.00 8.11 O ATOM 331 CB ASP A 21 -6.315 -3.705 -5.855 1.00 11.00 C ATOM 332 CG ASP A 21 -7.013 -3.289 -7.142 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.431 -3.378 -8.256 1.00 18.03 O ATOM 334 OD2 ASP A 21 -8.194 -2.860 -7.043 1.00 14.36 O ATOM 0 H ASP A 21 -8.286 -4.778 -4.957 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.223 -5.641 -6.714 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -6.766 -3.208 -4.996 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.265 -3.414 -5.877 1.00 11.00 H new ATOM 339 N THR A 22 -4.278 -6.191 -5.439 1.00 5.37 N ATOM 340 CA THR A 22 -3.150 -6.788 -4.795 1.00 6.01 C ATOM 341 C THR A 22 -2.244 -5.705 -4.321 1.00 8.01 C ATOM 342 O THR A 22 -2.284 -4.663 -4.974 1.00 8.11 O ATOM 343 CB THR A 22 -2.370 -7.748 -5.643 1.00 8.92 C ATOM 344 OG1 THR A 22 -1.657 -7.178 -6.731 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.286 -8.872 -6.155 1.00 9.65 C ATOM 0 H THR A 22 -4.111 -6.006 -6.428 1.00 5.37 H new ATOM 0 HA THR A 22 -3.550 -7.382 -3.973 1.00 6.01 H new ATOM 0 HB THR A 22 -1.602 -8.137 -4.975 1.00 8.92 H new ATOM 0 HG1 THR A 22 -1.183 -7.884 -7.217 1.00 10.22 H new ATOM 0 HG21 THR A 22 -2.707 -9.562 -6.769 1.00 9.65 H new ATOM 0 HG22 THR A 22 -3.711 -9.410 -5.307 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.090 -8.442 -6.752 1.00 9.65 H new ATOM 353 N ILE A 23 -1.488 -5.813 -3.214 1.00 8.32 N ATOM 354 CA ILE A 23 -0.509 -4.850 -2.815 1.00 9.92 C ATOM 355 C ILE A 23 0.500 -4.474 -3.845 1.00 10.01 C ATOM 356 O ILE A 23 0.945 -3.343 -4.037 1.00 8.71 O ATOM 357 CB ILE A 23 0.137 -5.305 -1.540 1.00 10.78 C ATOM 358 CG1 ILE A 23 -0.927 -5.386 -0.432 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.319 -4.420 -1.110 1.00 10.90 C ATOM 360 CD1 ILE A 23 -1.719 -4.139 -0.043 1.00 12.30 C ATOM 0 H ILE A 23 -1.562 -6.602 -2.572 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.053 -3.918 -2.660 1.00 9.92 H new ATOM 0 HB ILE A 23 0.560 -6.293 -1.719 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -1.647 -6.148 -0.729 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -0.431 -5.749 0.468 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.741 -4.803 -0.181 1.00 10.90 H new ATOM 0 HG22 ILE A 23 2.083 -4.430 -1.887 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.972 -3.398 -0.956 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.421 -4.387 0.753 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.033 -3.367 0.306 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.268 -3.772 -0.910 1.00 12.30 H new ATOM 372 N GLU A 24 0.867 -5.423 -4.724 1.00 9.54 N ATOM 373 CA GLU A 24 1.744 -5.105 -5.807 1.00 11.81 C ATOM 374 C GLU A 24 1.126 -4.194 -6.812 1.00 11.14 C ATOM 375 O GLU A 24 1.747 -3.247 -7.292 1.00 10.62 O ATOM 376 CB GLU A 24 2.097 -6.399 -6.559 1.00 19.24 C ATOM 377 CG GLU A 24 3.155 -6.273 -7.657 1.00 27.76 C ATOM 378 CD GLU A 24 3.355 -7.619 -8.337 1.00 32.92 C ATOM 379 OE1 GLU A 24 2.348 -8.309 -8.650 1.00 34.80 O ATOM 380 OE2 GLU A 24 4.518 -8.087 -8.464 1.00 36.51 O ATOM 0 H GLU A 24 0.562 -6.396 -4.687 1.00 9.54 H new ATOM 0 HA GLU A 24 2.611 -4.613 -5.367 1.00 11.81 H new ATOM 0 HB2 GLU A 24 2.443 -7.134 -5.833 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.185 -6.796 -7.005 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.845 -5.528 -8.390 1.00 27.76 H new ATOM 0 HG3 GLU A 24 4.096 -5.928 -7.230 1.00 27.76 H new ATOM 387 N ASN A 25 -0.167 -4.375 -7.133 1.00 9.43 N ATOM 388 CA ASN A 25 -0.669 -3.459 -8.110 1.00 10.96 C ATOM 389 C ASN A 25 -0.974 -2.142 -7.484 1.00 9.68 C ATOM 390 O ASN A 25 -1.081 -1.182 -8.245 1.00 9.33 O ATOM 391 CB ASN A 25 -1.922 -3.988 -8.829 1.00 16.78 C ATOM 392 CG ASN A 25 -1.611 -5.145 -9.767 1.00 22.31 C ATOM 393 OD1 ASN A 25 -0.469 -5.312 -10.191 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.625 -6.032 -9.957 1.00 24.70 N ATOM 0 H ASN A 25 -0.809 -5.077 -6.764 1.00 9.43 H new ATOM 0 HA ASN A 25 0.116 -3.341 -8.857 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -2.653 -4.312 -8.088 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -2.381 -3.178 -9.396 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.458 -6.894 -10.477 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.552 -5.835 -9.579 1.00 24.70 H new ATOM 401 N VAL A 26 -0.907 -1.954 -6.153 1.00 6.52 N ATOM 402 CA VAL A 26 -1.004 -0.760 -5.373 1.00 5.53 C ATOM 403 C VAL A 26 0.334 -0.115 -5.259 1.00 4.42 C ATOM 404 O VAL A 26 0.477 1.099 -5.396 1.00 3.40 O ATOM 405 CB VAL A 26 -1.519 -1.089 -4.003 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.379 0.107 -3.047 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.002 -1.464 -4.161 1.00 8.12 C ATOM 0 H VAL A 26 -0.764 -2.759 -5.543 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.693 -0.073 -5.864 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.942 -1.909 -3.574 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.762 -0.166 -2.064 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.328 0.385 -2.963 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.948 0.952 -3.436 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.420 -1.712 -3.186 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.547 -0.621 -4.586 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.091 -2.325 -4.824 1.00 8.12 H new ATOM 417 N LYS A 27 1.437 -0.843 -5.008 1.00 2.64 N ATOM 418 CA LYS A 27 2.776 -0.403 -5.250 1.00 4.14 C ATOM 419 C LYS A 27 3.128 0.143 -6.591 1.00 5.58 C ATOM 420 O LYS A 27 3.984 1.010 -6.758 1.00 4.11 O ATOM 421 CB LYS A 27 3.779 -1.495 -4.840 1.00 3.97 C ATOM 422 CG LYS A 27 3.915 -1.889 -3.368 1.00 7.45 C ATOM 423 CD LYS A 27 5.154 -2.756 -3.138 1.00 9.02 C ATOM 424 CE LYS A 27 5.277 -3.352 -1.735 1.00 12.90 C ATOM 425 NZ LYS A 27 6.387 -4.331 -1.753 1.00 15.47 N ATOM 0 H LYS A 27 1.392 -1.784 -4.617 1.00 2.64 H new ATOM 0 HA LYS A 27 2.841 0.483 -4.618 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.523 -2.397 -5.396 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.763 -1.178 -5.184 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.977 -0.991 -2.753 1.00 7.45 H new ATOM 0 HG3 LYS A 27 3.025 -2.432 -3.051 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.148 -3.570 -3.863 1.00 9.02 H new ATOM 0 HD3 LYS A 27 6.041 -2.156 -3.340 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.471 -2.568 -1.003 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.345 -3.837 -1.443 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 6.376 -4.885 -0.873 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 6.273 -4.970 -2.566 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 7.293 -3.827 -1.833 1.00 15.47 H new ATOM 439 N ALA A 28 2.499 -0.377 -7.661 1.00 6.61 N ATOM 440 CA ALA A 28 2.666 0.040 -9.018 1.00 7.74 C ATOM 441 C ALA A 28 2.108 1.388 -9.321 1.00 9.17 C ATOM 442 O ALA A 28 2.413 1.986 -10.352 1.00 11.45 O ATOM 443 CB ALA A 28 1.998 -0.997 -9.937 1.00 7.68 C ATOM 0 H ALA A 28 1.829 -1.140 -7.570 1.00 6.61 H new ATOM 0 HA ALA A 28 3.740 0.111 -9.190 1.00 7.74 H new ATOM 0 HB1 ALA A 28 2.117 -0.692 -10.977 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.466 -1.970 -9.788 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.937 -1.065 -9.698 1.00 7.68 H new ATOM 449 N LYS A 29 1.199 1.872 -8.456 1.00 8.96 N ATOM 450 CA LYS A 29 0.668 3.197 -8.547 1.00 7.90 C ATOM 451 C LYS A 29 1.686 4.124 -7.978 1.00 6.92 C ATOM 452 O LYS A 29 1.953 5.210 -8.490 1.00 6.87 O ATOM 453 CB LYS A 29 -0.714 3.311 -7.881 1.00 10.28 C ATOM 454 CG LYS A 29 -1.694 2.259 -8.404 1.00 14.94 C ATOM 455 CD LYS A 29 -3.126 2.341 -7.871 1.00 19.69 C ATOM 456 CE LYS A 29 -4.153 1.342 -8.406 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.498 1.732 -9.791 1.00 24.98 N ATOM 0 H LYS A 29 0.825 1.331 -7.676 1.00 8.96 H new ATOM 0 HA LYS A 29 0.483 3.469 -9.586 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.606 3.200 -6.802 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.121 4.306 -8.060 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.729 2.334 -9.491 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.296 1.273 -8.165 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.085 2.229 -6.788 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.500 3.344 -8.074 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.746 0.331 -8.386 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.044 1.340 -7.778 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.197 1.065 -10.176 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.899 2.692 -9.792 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.641 1.714 -10.380 1.00 24.98 H new ATOM 471 N ILE A 30 2.347 3.725 -6.877 1.00 4.57 N ATOM 472 CA ILE A 30 3.300 4.530 -6.178 1.00 5.58 C ATOM 473 C ILE A 30 4.551 4.568 -6.987 1.00 7.26 C ATOM 474 O ILE A 30 5.189 5.614 -7.096 1.00 9.46 O ATOM 475 CB ILE A 30 3.554 3.883 -4.849 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.232 3.809 -4.067 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.667 4.705 -4.179 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.450 3.381 -2.616 1.00 2.00 C ATOM 0 H ILE A 30 2.212 2.805 -6.457 1.00 4.57 H new ATOM 0 HA ILE A 30 2.940 5.548 -6.025 1.00 5.58 H new ATOM 0 HB ILE A 30 3.897 2.850 -4.914 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.743 4.783 -4.088 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.560 3.104 -4.556 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.896 4.279 -3.202 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.561 4.684 -4.803 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.334 5.736 -4.056 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.491 3.342 -2.100 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.915 2.395 -2.593 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.100 4.100 -2.118 1.00 2.00 H new ATOM 490 N GLN A 31 5.019 3.475 -7.615 1.00 7.06 N ATOM 491 CA GLN A 31 6.122 3.435 -8.523 1.00 8.67 C ATOM 492 C GLN A 31 5.933 4.420 -9.626 1.00 10.90 C ATOM 493 O GLN A 31 6.848 5.175 -9.951 1.00 9.63 O ATOM 494 CB GLN A 31 6.224 2.077 -9.238 1.00 9.12 C ATOM 495 CG GLN A 31 7.351 1.722 -10.209 1.00 10.76 C ATOM 496 CD GLN A 31 7.237 0.413 -10.979 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.154 -0.166 -10.905 1.00 14.48 O ATOM 498 NE2 GLN A 31 8.391 0.036 -11.591 1.00 14.76 N ATOM 0 H GLN A 31 4.597 2.557 -7.478 1.00 7.06 H new ATOM 0 HA GLN A 31 7.005 3.641 -7.919 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.241 1.318 -8.456 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.292 1.948 -9.788 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.436 2.531 -10.934 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.284 1.699 -9.646 1.00 10.76 H new ATOM 0 HE21 GLN A 31 9.209 0.644 -11.556 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.438 -0.855 -12.086 1.00 14.76 H new ATOM 507 N ASP A 32 4.742 4.511 -10.243 1.00 10.93 N ATOM 508 CA ASP A 32 4.517 5.385 -11.353 1.00 14.01 C ATOM 509 C ASP A 32 4.655 6.812 -10.948 1.00 14.04 C ATOM 510 O ASP A 32 5.437 7.594 -11.486 1.00 13.39 O ATOM 511 CB ASP A 32 3.175 4.979 -11.984 1.00 18.01 C ATOM 512 CG ASP A 32 2.788 5.811 -13.199 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.654 6.560 -13.724 1.00 25.17 O ATOM 514 OD2 ASP A 32 1.679 5.615 -13.765 1.00 26.29 O ATOM 0 H ASP A 32 3.922 3.970 -9.968 1.00 10.93 H new ATOM 0 HA ASP A 32 5.276 5.284 -12.129 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.224 3.930 -12.275 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.390 5.065 -11.232 1.00 18.01 H new ATOM 519 N LYS A 33 3.913 7.172 -9.885 1.00 14.22 N ATOM 520 CA LYS A 33 3.864 8.518 -9.406 1.00 14.00 C ATOM 521 C LYS A 33 5.088 9.047 -8.742 1.00 12.37 C ATOM 522 O LYS A 33 5.723 9.981 -9.228 1.00 12.17 O ATOM 523 CB LYS A 33 2.732 8.555 -8.366 1.00 18.62 C ATOM 524 CG LYS A 33 1.455 8.953 -9.109 1.00 24.00 C ATOM 525 CD LYS A 33 1.024 8.020 -10.243 1.00 27.61 C ATOM 526 CE LYS A 33 -0.404 8.202 -10.762 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.409 9.094 -11.943 1.00 30.06 N ATOM 0 H LYS A 33 3.339 6.519 -9.351 1.00 14.22 H new ATOM 0 HA LYS A 33 3.730 9.147 -10.286 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.614 7.582 -7.890 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.958 9.271 -7.576 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.641 9.015 -8.386 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.593 9.953 -9.520 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.712 8.155 -11.078 1.00 27.61 H new ATOM 0 HD3 LYS A 33 1.136 6.991 -9.901 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.829 7.234 -11.027 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.033 8.622 -9.977 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.384 9.210 -12.286 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.022 10.022 -11.678 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.176 8.677 -12.695 1.00 30.06 H new ATOM 541 N GLU A 34 5.343 8.427 -7.576 1.00 10.11 N ATOM 542 CA GLU A 34 6.363 8.858 -6.670 1.00 10.07 C ATOM 543 C GLU A 34 7.742 8.676 -7.204 1.00 9.32 C ATOM 544 O GLU A 34 8.553 9.600 -7.248 1.00 11.61 O ATOM 545 CB GLU A 34 6.229 8.199 -5.287 1.00 14.77 C ATOM 546 CG GLU A 34 4.930 8.496 -4.535 1.00 18.75 C ATOM 547 CD GLU A 34 4.812 9.995 -4.297 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.719 10.530 -3.605 1.00 25.19 O ATOM 549 OE2 GLU A 34 3.892 10.695 -4.797 1.00 21.95 O ATOM 0 H GLU A 34 4.828 7.607 -7.255 1.00 10.11 H new ATOM 0 HA GLU A 34 6.205 9.930 -6.554 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.318 7.120 -5.409 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.067 8.520 -4.669 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.075 8.140 -5.110 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.918 7.964 -3.584 1.00 18.75 H new ATOM 556 N GLY A 35 7.963 7.442 -7.693 1.00 7.22 N ATOM 557 CA GLY A 35 9.197 7.033 -8.288 1.00 6.29 C ATOM 558 C GLY A 35 9.998 6.060 -7.493 1.00 6.93 C ATOM 559 O GLY A 35 11.190 5.861 -7.722 1.00 7.41 O ATOM 0 H GLY A 35 7.259 6.705 -7.673 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.983 6.592 -9.261 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.806 7.919 -8.467 1.00 6.29 H new ATOM 563 N ILE A 36 9.384 5.458 -6.460 1.00 5.86 N ATOM 564 CA ILE A 36 9.990 4.627 -5.466 1.00 6.07 C ATOM 565 C ILE A 36 9.975 3.217 -5.945 1.00 6.36 C ATOM 566 O ILE A 36 8.878 2.781 -6.289 1.00 6.18 O ATOM 567 CB ILE A 36 9.271 4.709 -4.152 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.188 6.163 -3.657 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.021 3.918 -3.067 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.192 6.481 -2.542 1.00 9.49 C ATOM 0 H ILE A 36 8.381 5.562 -6.308 1.00 5.86 H new ATOM 0 HA ILE A 36 11.011 4.975 -5.309 1.00 6.07 H new ATOM 0 HB ILE A 36 8.275 4.298 -4.317 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.180 6.457 -3.314 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.946 6.794 -4.512 1.00 8.52 H new ATOM 0 HG21 ILE A 36 9.480 3.992 -2.123 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.092 2.871 -3.363 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.023 4.329 -2.944 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.245 7.542 -2.298 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.183 6.235 -2.874 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.436 5.893 -1.657 1.00 9.49 H new ATOM 582 N PRO A 37 11.077 2.526 -5.966 1.00 8.65 N ATOM 583 CA PRO A 37 11.096 1.182 -6.465 1.00 9.18 C ATOM 584 C PRO A 37 10.345 0.222 -5.608 1.00 9.85 C ATOM 585 O PRO A 37 10.426 0.400 -4.394 1.00 8.51 O ATOM 586 CB PRO A 37 12.569 0.778 -6.437 1.00 11.42 C ATOM 587 CG PRO A 37 13.380 2.083 -6.483 1.00 9.27 C ATOM 588 CD PRO A 37 12.427 2.992 -5.689 1.00 8.33 C ATOM 0 HA PRO A 37 10.629 1.152 -7.449 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.799 0.210 -5.535 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.812 0.140 -7.286 1.00 11.42 H new ATOM 0 HG2 PRO A 37 14.358 1.987 -6.012 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.549 2.437 -7.500 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.643 2.941 -4.622 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.546 4.033 -5.989 1.00 8.33 H new ATOM 596 N PRO A 38 9.584 -0.727 -6.066 1.00 8.71 N ATOM 597 CA PRO A 38 8.698 -1.378 -5.146 1.00 9.08 C ATOM 598 C PRO A 38 9.281 -2.322 -4.152 1.00 9.28 C ATOM 599 O PRO A 38 8.601 -2.600 -3.165 1.00 6.50 O ATOM 600 CB PRO A 38 7.829 -2.230 -6.068 1.00 10.31 C ATOM 601 CG PRO A 38 7.763 -1.520 -7.429 1.00 10.81 C ATOM 602 CD PRO A 38 9.176 -0.916 -7.450 1.00 12.00 C ATOM 0 HA PRO A 38 8.235 -0.602 -4.537 1.00 9.08 H new ATOM 0 HB2 PRO A 38 8.251 -3.229 -6.177 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.830 -2.350 -5.650 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.586 -2.208 -8.255 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.980 -0.763 -7.472 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.870 -1.578 -7.969 1.00 12.00 H new ATOM 0 HD3 PRO A 38 9.181 0.033 -7.986 1.00 12.00 H new ATOM 610 N ASP A 39 10.538 -2.777 -4.302 1.00 11.20 N ATOM 611 CA ASP A 39 11.181 -3.549 -3.285 1.00 14.96 C ATOM 612 C ASP A 39 11.594 -2.694 -2.136 1.00 13.99 C ATOM 613 O ASP A 39 11.523 -3.102 -0.978 1.00 13.75 O ATOM 614 CB ASP A 39 12.391 -4.305 -3.858 1.00 24.16 C ATOM 615 CG ASP A 39 13.153 -3.605 -4.975 1.00 31.06 C ATOM 616 OD1 ASP A 39 13.769 -2.526 -4.766 1.00 35.55 O ATOM 617 OD2 ASP A 39 13.210 -4.236 -6.064 1.00 34.22 O ATOM 0 H ASP A 39 11.110 -2.610 -5.130 1.00 11.20 H new ATOM 0 HA ASP A 39 10.460 -4.279 -2.917 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.086 -4.507 -3.043 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.047 -5.270 -4.230 1.00 24.16 H new ATOM 622 N GLN A 40 12.028 -1.445 -2.380 1.00 11.60 N ATOM 623 CA GLN A 40 12.181 -0.463 -1.351 1.00 10.76 C ATOM 624 C GLN A 40 10.963 -0.101 -0.573 1.00 8.01 C ATOM 625 O GLN A 40 11.029 0.189 0.621 1.00 8.96 O ATOM 626 CB GLN A 40 12.875 0.786 -1.921 1.00 11.14 C ATOM 627 CG GLN A 40 13.492 1.800 -0.956 1.00 14.85 C ATOM 628 CD GLN A 40 14.109 2.999 -1.661 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.533 3.733 -2.463 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.327 3.307 -1.142 1.00 18.16 N ATOM 0 H GLN A 40 12.278 -1.110 -3.310 1.00 11.60 H new ATOM 0 HA GLN A 40 12.806 -0.949 -0.602 1.00 10.76 H new ATOM 0 HB2 GLN A 40 13.666 0.446 -2.590 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.146 1.317 -2.533 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.724 2.148 -0.265 1.00 14.85 H new ATOM 0 HG3 GLN A 40 14.257 1.304 -0.359 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.774 2.673 -0.479 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.794 4.172 -1.415 1.00 18.16 H new ATOM 639 N GLN A 41 9.788 0.047 -1.209 1.00 6.52 N ATOM 640 CA GLN A 41 8.516 0.459 -0.702 1.00 3.87 C ATOM 641 C GLN A 41 8.035 -0.538 0.296 1.00 4.79 C ATOM 642 O GLN A 41 7.736 -1.699 0.023 1.00 6.34 O ATOM 643 CB GLN A 41 7.395 0.542 -1.752 1.00 4.20 C ATOM 644 CG GLN A 41 7.574 1.646 -2.797 1.00 3.20 C ATOM 645 CD GLN A 41 6.388 1.638 -3.750 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.223 1.417 -3.424 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.703 1.561 -5.071 1.00 7.13 N ATOM 0 H GLN A 41 9.727 -0.149 -2.208 1.00 6.52 H new ATOM 0 HA GLN A 41 8.695 1.455 -0.297 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.326 -0.417 -2.265 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.446 0.698 -1.238 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.654 2.616 -2.307 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.500 1.491 -3.350 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.659 1.738 -5.378 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.983 1.326 -5.754 1.00 7.13 H new ATOM 656 N ARG A 42 7.858 -0.120 1.563 1.00 5.73 N ATOM 657 CA ARG A 42 7.332 -0.954 2.598 1.00 6.97 C ATOM 658 C ARG A 42 6.058 -0.296 3.001 1.00 7.15 C ATOM 659 O ARG A 42 5.985 0.615 3.824 1.00 7.33 O ATOM 660 CB ARG A 42 8.283 -1.136 3.793 1.00 13.23 C ATOM 661 CG ARG A 42 7.744 -1.943 4.976 1.00 21.27 C ATOM 662 CD ARG A 42 8.728 -2.189 6.120 1.00 26.14 C ATOM 663 NE ARG A 42 9.462 -3.455 5.836 1.00 32.26 N ATOM 664 CZ ARG A 42 10.307 -4.045 6.730 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.585 -3.423 7.912 1.00 35.30 N ATOM 666 NH2 ARG A 42 10.924 -5.249 6.542 1.00 36.39 N ATOM 0 H ARG A 42 8.087 0.824 1.875 1.00 5.73 H new ATOM 0 HA ARG A 42 7.185 -1.971 2.235 1.00 6.97 H new ATOM 0 HB2 ARG A 42 9.192 -1.620 3.435 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.569 -0.149 4.155 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.873 -1.425 5.377 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.399 -2.908 4.605 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.426 -1.356 6.208 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.197 -2.262 7.069 1.00 26.14 H new ATOM 0 HE ARG A 42 9.326 -3.902 4.929 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.162 -2.520 8.125 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.216 -3.861 8.583 1.00 35.30 H new ATOM 0 HH21 ARG A 42 10.765 -5.775 5.682 1.00 36.39 H new ATOM 0 HH22 ARG A 42 11.543 -5.622 7.261 1.00 36.39 H new ATOM 680 N LEU A 43 4.917 -0.824 2.522 1.00 4.65 N ATOM 681 CA LEU A 43 3.576 -0.335 2.609 1.00 3.51 C ATOM 682 C LEU A 43 2.893 -0.997 3.756 1.00 5.56 C ATOM 683 O LEU A 43 2.823 -2.223 3.825 1.00 4.19 O ATOM 684 CB LEU A 43 2.699 -0.598 1.373 1.00 3.74 C ATOM 685 CG LEU A 43 1.362 0.163 1.368 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.579 1.680 1.238 1.00 6.41 C ATOM 687 CD2 LEU A 43 0.414 -0.405 0.298 1.00 9.55 C ATOM 0 H LEU A 43 4.944 -1.706 2.010 1.00 4.65 H new ATOM 0 HA LEU A 43 3.678 0.745 2.716 1.00 3.51 H new ATOM 0 HB2 LEU A 43 3.261 -0.326 0.479 1.00 3.74 H new ATOM 0 HB3 LEU A 43 2.495 -1.667 1.308 1.00 3.74 H new ATOM 0 HG LEU A 43 0.874 0.011 2.331 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.614 2.187 1.238 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.175 2.036 2.078 1.00 6.41 H new ATOM 0 HD13 LEU A 43 2.102 1.894 0.306 1.00 6.41 H new ATOM 0 HD21 LEU A 43 -0.525 0.149 0.313 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.876 -0.310 -0.685 1.00 9.55 H new ATOM 0 HD23 LEU A 43 0.218 -1.457 0.507 1.00 9.55 H new ATOM 699 N ILE A 44 2.514 -0.218 4.785 1.00 4.58 N ATOM 700 CA ILE A 44 2.001 -0.604 6.063 1.00 5.55 C ATOM 701 C ILE A 44 0.594 -0.144 6.228 1.00 5.46 C ATOM 702 O ILE A 44 0.134 0.774 5.550 1.00 6.04 O ATOM 703 CB ILE A 44 2.973 -0.036 7.054 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.298 -0.813 6.965 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.422 0.026 8.489 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.400 -0.191 7.821 1.00 13.90 C ATOM 0 H ILE A 44 2.576 0.797 4.709 1.00 4.58 H new ATOM 0 HA ILE A 44 1.931 -1.683 6.201 1.00 5.55 H new ATOM 0 HB ILE A 44 3.152 1.006 6.789 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.134 -1.843 7.282 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.626 -0.848 5.926 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.178 0.447 9.151 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.531 0.654 8.510 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.165 -0.979 8.824 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.313 -0.778 7.722 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.587 0.830 7.488 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.087 -0.180 8.865 1.00 13.90 H new ATOM 718 N PHE A 45 -0.156 -0.858 7.086 1.00 6.75 N ATOM 719 CA PHE A 45 -1.473 -0.379 7.371 1.00 4.70 C ATOM 720 C PHE A 45 -1.380 0.393 8.642 1.00 6.34 C ATOM 721 O PHE A 45 -1.070 1.579 8.544 1.00 5.45 O ATOM 722 CB PHE A 45 -2.525 -1.498 7.443 1.00 5.51 C ATOM 723 CG PHE A 45 -3.975 -1.165 7.356 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.414 0.121 7.145 1.00 5.87 C ATOM 725 CD2 PHE A 45 -4.816 -2.189 7.723 1.00 6.86 C ATOM 726 CE1 PHE A 45 -5.763 0.346 7.006 1.00 6.64 C ATOM 727 CE2 PHE A 45 -6.161 -1.911 7.651 1.00 6.68 C ATOM 728 CZ PHE A 45 -6.640 -0.676 7.283 1.00 6.84 C ATOM 0 H PHE A 45 0.126 -1.717 7.558 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.821 0.255 6.556 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.305 -2.201 6.640 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.370 -2.028 8.383 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.712 0.939 7.089 1.00 5.87 H new ATOM 0 HD2 PHE A 45 -4.444 -3.150 8.047 1.00 6.86 H new ATOM 0 HE1 PHE A 45 -6.128 1.310 6.684 1.00 6.64 H new ATOM 0 HE2 PHE A 45 -6.867 -2.692 7.892 1.00 6.68 H new ATOM 0 HZ PHE A 45 -7.705 -0.509 7.212 1.00 6.84 H new ATOM 738 N ALA A 46 -1.598 -0.279 9.787 1.00 6.53 N ATOM 739 CA ALA A 46 -1.518 0.323 11.081 1.00 7.15 C ATOM 740 C ALA A 46 -0.209 -0.102 11.652 1.00 9.00 C ATOM 741 O ALA A 46 0.756 0.644 11.808 1.00 11.15 O ATOM 742 CB ALA A 46 -2.577 -0.023 12.141 1.00 8.99 C ATOM 0 H ALA A 46 -1.837 -1.270 9.813 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.671 1.385 10.890 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.363 0.522 13.060 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.564 0.258 11.774 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.555 -1.094 12.341 1.00 8.99 H new ATOM 748 N GLY A 47 -0.292 -1.384 12.051 1.00 9.35 N ATOM 749 CA GLY A 47 0.690 -2.163 12.739 1.00 11.68 C ATOM 750 C GLY A 47 1.416 -3.199 11.954 1.00 11.14 C ATOM 751 O GLY A 47 2.634 -3.363 12.000 1.00 13.93 O ATOM 0 H GLY A 47 -1.136 -1.928 11.872 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.428 -1.480 13.159 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.200 -2.658 13.578 1.00 11.68 H new ATOM 755 N LYS A 48 0.712 -3.786 10.969 1.00 10.47 N ATOM 756 CA LYS A 48 1.335 -4.688 10.051 1.00 8.82 C ATOM 757 C LYS A 48 1.724 -4.135 8.722 1.00 7.68 C ATOM 758 O LYS A 48 1.173 -3.217 8.117 1.00 6.47 O ATOM 759 CB LYS A 48 0.634 -6.038 9.829 1.00 9.74 C ATOM 760 CG LYS A 48 -0.747 -5.926 9.180 1.00 14.14 C ATOM 761 CD LYS A 48 -1.678 -7.124 9.376 1.00 16.32 C ATOM 762 CE LYS A 48 -1.920 -7.560 10.822 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.589 -8.880 10.833 1.00 23.92 N ATOM 0 H LYS A 48 -0.284 -3.637 10.809 1.00 10.47 H new ATOM 0 HA LYS A 48 2.247 -4.867 10.620 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.268 -6.666 9.203 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.532 -6.545 10.789 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.241 -5.038 9.575 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.612 -5.767 8.110 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.641 -6.887 8.923 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.267 -7.971 8.827 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -0.974 -7.615 11.360 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.537 -6.823 11.337 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.754 -9.177 11.816 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.499 -8.812 10.334 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.985 -9.579 10.357 1.00 23.92 H new ATOM 777 N GLN A 49 2.769 -4.756 8.147 1.00 8.89 N ATOM 778 CA GLN A 49 3.221 -4.529 6.810 1.00 7.18 C ATOM 779 C GLN A 49 2.550 -5.408 5.811 1.00 8.23 C ATOM 780 O GLN A 49 2.496 -6.632 5.926 1.00 9.70 O ATOM 781 CB GLN A 49 4.757 -4.580 6.747 1.00 11.67 C ATOM 782 CG GLN A 49 5.338 -5.973 7.003 1.00 15.82 C ATOM 783 CD GLN A 49 6.858 -5.953 6.928 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.541 -5.235 7.656 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.419 -6.926 6.162 1.00 20.67 N ATOM 0 H GLN A 49 3.327 -5.452 8.641 1.00 8.89 H new ATOM 0 HA GLN A 49 2.922 -3.521 6.521 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.083 -4.235 5.766 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.165 -3.885 7.481 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.024 -6.327 7.985 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.943 -6.676 6.269 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.831 -7.509 5.566 1.00 20.67 H new ATOM 0 HE22 GLN A 49 8.428 -7.073 6.183 1.00 20.67 H new ATOM 794 N LEU A 50 2.099 -4.810 4.694 1.00 6.51 N ATOM 795 CA LEU A 50 1.368 -5.467 3.655 1.00 7.41 C ATOM 796 C LEU A 50 2.289 -6.022 2.624 1.00 8.27 C ATOM 797 O LEU A 50 3.187 -5.336 2.140 1.00 8.34 O ATOM 798 CB LEU A 50 0.458 -4.370 3.076 1.00 7.13 C ATOM 799 CG LEU A 50 -0.406 -3.558 4.055 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.956 -2.315 3.335 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.525 -4.434 4.644 1.00 8.14 C ATOM 0 H LEU A 50 2.252 -3.819 4.506 1.00 6.51 H new ATOM 0 HA LEU A 50 0.795 -6.319 4.019 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.087 -3.670 2.526 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.208 -4.837 2.351 1.00 7.13 H new ATOM 0 HG LEU A 50 0.202 -3.221 4.895 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.569 -1.736 4.026 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.127 -1.701 2.984 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.562 -2.626 2.484 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.126 -3.842 5.334 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.159 -4.805 3.838 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.085 -5.277 5.177 1.00 8.14 H new ATOM 813 N GLU A 51 2.208 -7.338 2.355 1.00 9.43 N ATOM 814 CA GLU A 51 3.117 -8.121 1.577 1.00 11.90 C ATOM 815 C GLU A 51 2.574 -8.196 0.192 1.00 11.49 C ATOM 816 O GLU A 51 1.354 -8.256 0.050 1.00 9.88 O ATOM 817 CB GLU A 51 3.227 -9.547 2.144 1.00 16.56 C ATOM 818 CG GLU A 51 3.853 -9.610 3.539 1.00 26.06 C ATOM 819 CD GLU A 51 5.333 -9.257 3.533 1.00 29.86 C ATOM 820 OE1 GLU A 51 6.084 -10.019 2.867 1.00 32.13 O ATOM 821 OE2 GLU A 51 5.732 -8.195 4.081 1.00 33.44 O ATOM 0 H GLU A 51 1.438 -7.901 2.715 1.00 9.43 H new ATOM 0 HA GLU A 51 4.106 -7.663 1.595 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.232 -9.991 2.182 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.821 -10.155 1.461 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.323 -8.926 4.202 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.724 -10.613 3.946 1.00 26.06 H new ATOM 828 N ASP A 52 3.383 -8.080 -0.877 1.00 12.71 N ATOM 829 CA ASP A 52 3.081 -7.910 -2.264 1.00 16.56 C ATOM 830 C ASP A 52 1.875 -8.548 -2.863 1.00 15.83 C ATOM 831 O ASP A 52 1.066 -7.895 -3.521 1.00 17.21 O ATOM 832 CB ASP A 52 4.300 -8.200 -3.156 1.00 21.05 C ATOM 833 CG ASP A 52 5.447 -7.263 -2.805 1.00 25.12 C ATOM 834 OD1 ASP A 52 5.989 -7.345 -1.670 1.00 28.37 O ATOM 835 OD2 ASP A 52 5.811 -6.386 -3.634 1.00 25.82 O ATOM 0 H ASP A 52 4.393 -8.111 -0.741 1.00 12.71 H new ATOM 0 HA ASP A 52 2.803 -6.856 -2.247 1.00 16.56 H new ATOM 0 HB2 ASP A 52 4.615 -9.235 -3.027 1.00 21.05 H new ATOM 0 HB3 ASP A 52 4.029 -8.077 -4.205 1.00 21.05 H new ATOM 840 N GLY A 53 1.659 -9.857 -2.643 1.00 15.00 N ATOM 841 CA GLY A 53 0.725 -10.586 -3.445 1.00 11.77 C ATOM 842 C GLY A 53 -0.653 -10.697 -2.890 1.00 11.10 C ATOM 843 O GLY A 53 -1.585 -11.176 -3.536 1.00 11.25 O ATOM 0 H GLY A 53 2.124 -10.406 -1.920 1.00 15.00 H new ATOM 0 HA2 GLY A 53 0.666 -10.110 -4.424 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.116 -11.591 -3.602 1.00 11.77 H new ATOM 847 N ARG A 54 -0.883 -10.275 -1.634 1.00 8.53 N ATOM 848 CA ARG A 54 -2.136 -10.403 -0.957 1.00 9.05 C ATOM 849 C ARG A 54 -3.005 -9.261 -1.355 1.00 8.96 C ATOM 850 O ARG A 54 -2.555 -8.174 -1.713 1.00 11.60 O ATOM 851 CB ARG A 54 -1.908 -10.504 0.561 1.00 7.97 C ATOM 852 CG ARG A 54 -1.482 -11.916 0.970 1.00 9.62 C ATOM 853 CD ARG A 54 -2.465 -13.085 0.878 1.00 12.20 C ATOM 854 NE ARG A 54 -2.247 -13.699 -0.461 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.193 -14.036 -1.386 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.480 -13.584 -1.343 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.791 -14.655 -2.534 1.00 25.50 N ATOM 0 H ARG A 54 -0.165 -9.825 -1.066 1.00 8.53 H new ATOM 0 HA ARG A 54 -2.648 -11.322 -1.243 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -1.142 -9.790 0.864 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -2.823 -10.232 1.087 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -0.615 -12.178 0.364 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.143 -11.862 2.005 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.286 -13.809 1.673 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -3.493 -12.740 0.986 1.00 12.20 H new ATOM 0 HE ARG A 54 -1.278 -13.890 -0.717 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.777 -12.961 -0.592 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.145 -13.869 -2.062 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.803 -14.856 -2.686 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.479 -14.917 -3.240 1.00 25.50 H new ATOM 871 N THR A 55 -4.326 -9.496 -1.262 1.00 9.05 N ATOM 872 CA THR A 55 -5.246 -8.441 -1.554 1.00 9.03 C ATOM 873 C THR A 55 -5.619 -7.582 -0.395 1.00 8.15 C ATOM 874 O THR A 55 -5.428 -7.895 0.779 1.00 5.91 O ATOM 875 CB THR A 55 -6.521 -8.946 -2.161 1.00 11.15 C ATOM 876 OG1 THR A 55 -7.261 -9.645 -1.171 1.00 11.95 O ATOM 877 CG2 THR A 55 -6.319 -9.927 -3.329 1.00 11.71 C ATOM 0 H THR A 55 -4.747 -10.385 -0.994 1.00 9.05 H new ATOM 0 HA THR A 55 -4.686 -7.830 -2.262 1.00 9.03 H new ATOM 0 HB THR A 55 -7.034 -8.063 -2.543 1.00 11.15 H new ATOM 0 HG1 THR A 55 -6.864 -10.530 -1.030 1.00 11.95 H new ATOM 0 HG21 THR A 55 -7.290 -10.244 -3.710 1.00 11.71 H new ATOM 0 HG22 THR A 55 -5.760 -9.435 -4.125 1.00 11.71 H new ATOM 0 HG23 THR A 55 -5.764 -10.798 -2.981 1.00 11.71 H new ATOM 885 N LEU A 56 -6.253 -6.434 -0.692 1.00 6.91 N ATOM 886 CA LEU A 56 -6.867 -5.602 0.295 1.00 8.29 C ATOM 887 C LEU A 56 -7.983 -6.155 1.112 1.00 8.05 C ATOM 888 O LEU A 56 -8.203 -5.805 2.270 1.00 10.17 O ATOM 889 CB LEU A 56 -7.379 -4.285 -0.314 1.00 6.60 C ATOM 890 CG LEU A 56 -6.460 -3.112 -0.692 1.00 7.73 C ATOM 891 CD1 LEU A 56 -5.688 -3.273 -2.013 1.00 8.64 C ATOM 892 CD2 LEU A 56 -7.271 -1.826 -0.921 1.00 9.85 C ATOM 0 H LEU A 56 -6.341 -6.075 -1.643 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.031 -5.477 0.984 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -7.920 -4.556 -1.221 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.112 -3.887 0.388 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.770 -3.077 0.151 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.071 -2.391 -2.184 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -5.051 -4.156 -1.957 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -6.394 -3.387 -2.836 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -6.596 -1.013 -1.187 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.984 -1.985 -1.730 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -7.809 -1.568 -0.009 1.00 9.85 H new ATOM 904 N SER A 57 -8.759 -7.066 0.498 1.00 8.92 N ATOM 905 CA SER A 57 -9.665 -7.983 1.117 1.00 9.00 C ATOM 906 C SER A 57 -9.044 -8.951 2.065 1.00 9.44 C ATOM 907 O SER A 57 -9.665 -9.216 3.094 1.00 10.91 O ATOM 908 CB SER A 57 -10.436 -8.718 0.008 1.00 10.32 C ATOM 909 OG SER A 57 -11.176 -7.826 -0.813 1.00 13.59 O ATOM 0 H SER A 57 -8.751 -7.168 -0.517 1.00 8.92 H new ATOM 0 HA SER A 57 -10.331 -7.393 1.746 1.00 9.00 H new ATOM 0 HB2 SER A 57 -9.734 -9.280 -0.609 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.115 -9.442 0.458 1.00 10.32 H new ATOM 0 HG SER A 57 -10.558 -7.266 -1.327 1.00 13.59 H new ATOM 915 N ASP A 58 -7.780 -9.357 1.851 1.00 9.11 N ATOM 916 CA ASP A 58 -7.124 -10.190 2.810 1.00 7.91 C ATOM 917 C ASP A 58 -6.782 -9.417 4.037 1.00 9.12 C ATOM 918 O ASP A 58 -6.995 -9.817 5.181 1.00 8.61 O ATOM 919 CB ASP A 58 -5.926 -10.907 2.166 1.00 8.41 C ATOM 920 CG ASP A 58 -6.257 -11.806 0.983 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.077 -12.740 1.187 1.00 10.05 O ATOM 922 OD2 ASP A 58 -5.728 -11.580 -0.138 1.00 11.70 O ATOM 0 H ASP A 58 -7.222 -9.115 1.032 1.00 9.11 H new ATOM 0 HA ASP A 58 -7.804 -10.976 3.139 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -5.208 -10.155 1.838 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -5.432 -11.508 2.929 1.00 8.41 H new ATOM 927 N TYR A 59 -6.274 -8.183 3.867 1.00 7.97 N ATOM 928 CA TYR A 59 -5.811 -7.413 4.979 1.00 8.45 C ATOM 929 C TYR A 59 -6.820 -6.641 5.758 1.00 10.98 C ATOM 930 O TYR A 59 -6.517 -6.279 6.894 1.00 12.95 O ATOM 931 CB TYR A 59 -4.802 -6.420 4.377 1.00 7.94 C ATOM 932 CG TYR A 59 -3.519 -7.156 4.204 1.00 6.91 C ATOM 933 CD1 TYR A 59 -2.850 -7.722 5.264 1.00 6.98 C ATOM 934 CD2 TYR A 59 -2.985 -7.232 2.939 1.00 4.59 C ATOM 935 CE1 TYR A 59 -1.675 -8.408 5.064 1.00 6.52 C ATOM 936 CE2 TYR A 59 -1.729 -7.770 2.785 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.146 -8.494 3.798 1.00 6.76 C ATOM 938 OH TYR A 59 -0.021 -9.300 3.526 1.00 7.63 O ATOM 0 H TYR A 59 -6.184 -7.720 2.963 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.420 -8.120 5.711 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.160 -6.038 3.421 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -4.668 -5.560 5.033 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.251 -7.627 6.262 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -3.541 -6.876 2.084 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.171 -8.876 5.896 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -1.195 -7.622 1.858 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.258 -9.979 2.861 1.00 7.63 H new ATOM 948 N ASN A 60 -8.000 -6.455 5.139 1.00 12.38 N ATOM 949 CA ASN A 60 -9.179 -5.762 5.556 1.00 13.94 C ATOM 950 C ASN A 60 -8.995 -4.294 5.379 1.00 14.16 C ATOM 951 O ASN A 60 -9.303 -3.459 6.228 1.00 14.26 O ATOM 952 CB ASN A 60 -9.854 -6.077 6.902 1.00 19.23 C ATOM 953 CG ASN A 60 -10.206 -7.558 6.895 1.00 22.65 C ATOM 954 OD1 ASN A 60 -9.549 -8.424 7.470 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.260 -8.008 6.163 1.00 24.09 N ATOM 0 H ASN A 60 -8.140 -6.852 4.210 1.00 12.38 H new ATOM 0 HA ASN A 60 -9.919 -6.192 4.881 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.186 -5.845 7.731 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.749 -5.470 7.035 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.460 -9.007 6.118 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.850 -7.346 5.659 1.00 24.09 H new ATOM 962 N ILE A 61 -8.469 -3.863 4.219 1.00 11.08 N ATOM 963 CA ILE A 61 -8.487 -2.485 3.837 1.00 11.78 C ATOM 964 C ILE A 61 -9.829 -2.249 3.235 1.00 13.74 C ATOM 965 O ILE A 61 -10.305 -2.938 2.334 1.00 14.60 O ATOM 966 CB ILE A 61 -7.312 -2.302 2.923 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.993 -2.693 3.612 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.229 -0.816 2.532 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.729 -2.545 2.767 1.00 11.42 C ATOM 0 H ILE A 61 -8.025 -4.478 3.537 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.375 -1.753 4.637 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.451 -2.942 2.051 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.880 -2.085 4.509 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.069 -3.730 3.938 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.380 -0.662 1.866 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.147 -0.522 2.023 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.102 -0.210 3.429 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.862 -2.848 3.353 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -4.807 -3.176 1.882 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.615 -1.505 2.462 1.00 11.42 H new ATOM 981 N GLN A 62 -10.538 -1.260 3.808 1.00 13.97 N ATOM 982 CA GLN A 62 -11.853 -0.856 3.416 1.00 15.52 C ATOM 983 C GLN A 62 -11.679 0.510 2.845 1.00 13.94 C ATOM 984 O GLN A 62 -10.541 0.849 2.523 1.00 12.15 O ATOM 985 CB GLN A 62 -12.917 -1.004 4.516 1.00 19.53 C ATOM 986 CG GLN A 62 -12.861 -2.337 5.265 1.00 26.38 C ATOM 987 CD GLN A 62 -13.956 -2.474 6.312 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.855 -3.311 6.246 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.840 -1.762 7.465 1.00 32.71 N ATOM 0 H GLN A 62 -10.173 -0.712 4.588 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.279 -1.522 2.665 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.798 -0.192 5.233 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.905 -0.892 4.068 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.946 -3.154 4.549 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.889 -2.436 5.748 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -13.107 -1.059 7.559 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -14.486 -1.931 8.236 1.00 32.71 H new ATOM 998 N LYS A 63 -12.730 1.348 2.810 1.00 11.73 N ATOM 999 CA LYS A 63 -12.683 2.669 2.264 1.00 11.97 C ATOM 1000 C LYS A 63 -12.206 3.706 3.221 1.00 10.41 C ATOM 1001 O LYS A 63 -12.383 3.575 4.431 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.034 3.171 1.729 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.129 3.493 2.748 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.424 3.826 2.004 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.454 4.650 2.779 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.847 4.009 4.054 1.00 25.97 N ATOM 0 H LYS A 63 -13.648 1.096 3.176 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.970 2.550 1.448 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.848 4.070 1.141 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.424 2.418 1.045 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.285 2.644 3.413 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.827 4.334 3.371 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.167 4.367 1.094 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.893 2.891 1.697 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.044 5.639 2.984 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -18.340 4.794 2.160 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.546 4.605 4.541 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -18.264 3.076 3.860 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.008 3.895 4.658 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.604 4.833 2.799 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.030 5.900 3.559 1.00 10.94 C ATOM 1022 C GLU A 64 -9.972 5.410 4.487 1.00 9.74 C ATOM 1023 O GLU A 64 -9.870 5.860 5.627 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.104 6.674 4.341 1.00 18.31 C ATOM 1025 CG GLU A 64 -13.157 7.395 3.496 1.00 24.16 C ATOM 1026 CD GLU A 64 -14.123 8.234 4.319 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -14.881 7.729 5.190 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.234 9.473 4.119 1.00 31.72 O ATOM 0 H GLU A 64 -11.511 5.014 1.800 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.566 6.580 2.845 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.615 5.977 5.006 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.606 7.410 4.972 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -12.654 8.038 2.774 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.723 6.657 2.927 1.00 24.16 H new ATOM 1035 N SER A 65 -9.227 4.375 4.063 1.00 6.85 N ATOM 1036 CA SER A 65 -8.195 3.757 4.836 1.00 6.90 C ATOM 1037 C SER A 65 -6.989 4.630 4.779 1.00 4.72 C ATOM 1038 O SER A 65 -6.634 5.125 3.710 1.00 3.91 O ATOM 1039 CB SER A 65 -7.765 2.382 4.296 1.00 7.28 C ATOM 1040 OG SER A 65 -8.774 1.413 4.537 1.00 10.56 O ATOM 0 H SER A 65 -9.348 3.951 3.143 1.00 6.85 H new ATOM 0 HA SER A 65 -8.592 3.622 5.842 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.567 2.451 3.226 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.835 2.073 4.773 1.00 7.28 H new ATOM 0 HG SER A 65 -9.301 1.280 3.722 1.00 10.56 H new ATOM 1046 N THR A 66 -6.323 4.767 5.940 1.00 4.48 N ATOM 1047 CA THR A 66 -5.020 5.356 5.972 1.00 3.80 C ATOM 1048 C THR A 66 -4.029 4.245 6.019 1.00 4.60 C ATOM 1049 O THR A 66 -4.132 3.365 6.873 1.00 5.33 O ATOM 1050 CB THR A 66 -4.786 6.203 7.188 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.792 7.186 7.383 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.442 6.915 6.958 1.00 3.40 C ATOM 0 H THR A 66 -6.682 4.473 6.848 1.00 4.48 H new ATOM 0 HA THR A 66 -4.924 5.992 5.092 1.00 3.80 H new ATOM 0 HB THR A 66 -4.796 5.567 8.073 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.590 7.706 8.189 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.216 7.550 7.814 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.653 6.173 6.838 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.504 7.527 6.058 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.167 4.173 4.989 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.030 3.307 4.974 1.00 3.85 C ATOM 1062 C LEU A 67 -0.783 4.100 5.166 1.00 3.80 C ATOM 1063 O LEU A 67 -0.808 5.326 5.070 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.872 2.638 3.598 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.137 2.029 2.971 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.771 1.223 1.713 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.903 1.082 3.910 1.00 8.12 C ATOM 0 H LEU A 67 -3.264 4.734 4.142 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.181 2.571 5.764 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.473 3.378 2.905 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.125 1.850 3.688 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.780 2.879 2.742 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.675 0.797 1.278 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.294 1.880 0.986 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.085 0.420 1.982 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.782 0.693 3.396 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.256 0.254 4.199 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -4.215 1.627 4.801 1.00 8.12 H new ATOM 1079 N HIS A 68 0.399 3.463 5.256 1.00 2.94 N ATOM 1080 CA HIS A 68 1.566 4.170 5.683 1.00 4.17 C ATOM 1081 C HIS A 68 2.622 3.704 4.740 1.00 5.32 C ATOM 1082 O HIS A 68 2.812 2.522 4.459 1.00 7.70 O ATOM 1083 CB HIS A 68 2.112 3.950 7.103 1.00 5.57 C ATOM 1084 CG HIS A 68 1.397 4.727 8.169 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.414 4.107 8.913 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.417 6.049 8.487 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.147 5.099 9.655 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.473 6.250 9.473 1.00 16.30 N ATOM 0 H HIS A 68 0.546 2.477 5.038 1.00 2.94 H new ATOM 0 HA HIS A 68 1.291 5.225 5.691 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.052 2.888 7.342 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.168 4.221 7.119 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.163 3.118 8.908 1.00 13.74 H new ATOM 0 HD2 HIS A 68 2.054 6.803 8.049 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.994 4.962 10.311 1.00 14.75 H new ATOM 1096 N LEU A 69 3.467 4.602 4.203 1.00 5.29 N ATOM 1097 CA LEU A 69 4.581 4.189 3.408 1.00 3.97 C ATOM 1098 C LEU A 69 5.833 4.614 4.095 1.00 5.07 C ATOM 1099 O LEU A 69 6.123 5.795 4.282 1.00 4.34 O ATOM 1100 CB LEU A 69 4.519 4.733 1.971 1.00 6.08 C ATOM 1101 CG LEU A 69 5.620 4.176 1.053 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.667 2.642 0.943 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.635 4.902 -0.303 1.00 6.87 C ATOM 0 H LEU A 69 3.379 5.612 4.319 1.00 5.29 H new ATOM 0 HA LEU A 69 4.557 3.104 3.311 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.545 4.494 1.543 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.597 5.820 1.999 1.00 6.08 H new ATOM 0 HG LEU A 69 6.563 4.403 1.550 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.476 2.350 0.274 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.839 2.212 1.930 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.719 2.276 0.548 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.424 4.486 -0.930 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.672 4.771 -0.797 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.820 5.965 -0.145 1.00 6.87 H new ATOM 1115 N VAL A 70 6.644 3.588 4.409 1.00 4.29 N ATOM 1116 CA VAL A 70 8.024 3.755 4.743 1.00 6.26 C ATOM 1117 C VAL A 70 8.880 3.063 3.739 1.00 9.22 C ATOM 1118 O VAL A 70 8.463 2.300 2.870 1.00 9.36 O ATOM 1119 CB VAL A 70 8.292 3.186 6.105 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.517 3.983 7.168 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.064 1.672 6.244 1.00 8.54 C ATOM 0 H VAL A 70 6.332 2.617 4.431 1.00 4.29 H new ATOM 0 HA VAL A 70 8.259 4.819 4.743 1.00 6.26 H new ATOM 0 HB VAL A 70 9.364 3.299 6.268 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.717 3.564 8.154 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.836 5.025 7.145 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.449 3.925 6.959 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.286 1.363 7.265 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.025 1.438 6.011 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.719 1.141 5.554 1.00 8.54 H new ATOM 1131 N LEU A 71 10.187 3.378 3.793 1.00 12.71 N ATOM 1132 CA LEU A 71 11.130 2.787 2.896 1.00 16.06 C ATOM 1133 C LEU A 71 11.954 1.795 3.643 1.00 18.09 C ATOM 1134 O LEU A 71 12.493 2.082 4.711 1.00 19.26 O ATOM 1135 CB LEU A 71 11.937 3.903 2.212 1.00 17.10 C ATOM 1136 CG LEU A 71 11.125 4.934 1.409 1.00 19.37 C ATOM 1137 CD1 LEU A 71 12.102 6.042 0.984 1.00 19.57 C ATOM 1138 CD2 LEU A 71 10.328 4.442 0.189 1.00 17.51 C ATOM 0 H LEU A 71 10.589 4.040 4.456 1.00 12.71 H new ATOM 0 HA LEU A 71 10.641 2.233 2.095 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.504 4.434 2.977 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.662 3.440 1.542 1.00 17.10 H new ATOM 0 HG LEU A 71 10.333 5.264 2.081 1.00 19.37 H new ATOM 0 HD11 LEU A 71 11.567 6.798 0.409 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.539 6.502 1.871 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.894 5.613 0.370 1.00 19.57 H new ATOM 0 HD21 LEU A 71 9.810 5.284 -0.271 1.00 17.51 H new ATOM 0 HD22 LEU A 71 11.010 3.996 -0.535 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.599 3.697 0.507 1.00 17.51 H new