USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 573 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 33 GLN : amide:sc= -1.93 K(o=-0.84,f=-10!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -102:sc= 1.09 (180deg=0.772) USER MOD Set 2.1: A 29 SER OG : rot -60:sc= 0.951 USER MOD Set 2.2: A 30 HIS : no HE2:sc= -2.39 K(o=-1.4,f=-13!) USER MOD Single : A 7 LYS NZ :NH3+ -120:sc= 1.02 (180deg=-0.071) USER MOD Single : A 13 LYS NZ :NH3+ -125:sc= -0.471 (180deg=-1.42) USER MOD Single : A 14 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.6!) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.176) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.124) USER MOD Single : A 24 MET CE :methyl -147:sc= 0 (180deg=-0.324) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 31 TYR OH : rot -18:sc= 0.732 USER MOD Single : A 32 LYS NZ :NH3+ -142:sc= 2.27 (180deg=-1.11) USER MOD Single : A 35 THR OG1 : rot -158:sc= 1.32 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -140:sc= -0.678 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 172:sc= 0 (180deg=-0.0929) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.134) USER MOD Single : A 73 TYR OH : rot -139:sc= -3.07! USER MOD Single : A 76 LYS NZ :NH3+ -142:sc= 1.89 (180deg=0.0693) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= -1.26! (180deg=-1.27!) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= -1.5! (180deg=-2.03!) USER MOD Single : A 83 LYS NZ :NH3+ 167:sc= -0.0317 (180deg=-0.296) USER MOD Single : A 84 TYR OH : rot -69:sc= 0.783 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.721 7.411 9.674 1.00 1.45 N ATOM 32 CA ALA A 3 3.764 6.901 11.082 1.00 1.67 C ATOM 33 C ALA A 3 4.434 7.792 12.189 1.00 1.29 C ATOM 34 O ALA A 3 4.013 8.890 12.534 1.00 1.53 O ATOM 35 CB ALA A 3 4.424 5.495 10.936 1.00 2.73 C ATOM 0 HA ALA A 3 2.752 6.893 11.487 1.00 1.67 H new ATOM 0 HB1 ALA A 3 4.505 5.027 11.917 1.00 2.73 H new ATOM 0 HB2 ALA A 3 3.811 4.871 10.286 1.00 2.73 H new ATOM 0 HB3 ALA A 3 5.418 5.603 10.502 1.00 2.73 H new ATOM 41 N GLU A 4 5.507 7.247 12.720 1.00 0.80 N ATOM 42 CA GLU A 4 6.313 7.903 13.801 1.00 0.46 C ATOM 43 C GLU A 4 6.685 9.360 13.569 1.00 0.52 C ATOM 44 O GLU A 4 6.787 10.151 14.483 1.00 0.51 O ATOM 45 CB GLU A 4 7.678 7.268 14.035 1.00 0.14 C ATOM 46 CG GLU A 4 7.798 5.767 14.404 1.00 0.62 C ATOM 47 CD GLU A 4 9.306 5.409 14.469 1.00 1.03 C ATOM 48 OE1 GLU A 4 10.013 6.004 15.270 1.00 1.14 O ATOM 49 OE2 GLU A 4 9.682 4.548 13.702 1.00 1.44 O ATOM 0 H GLU A 4 5.869 6.337 12.435 1.00 0.80 H new ATOM 0 HA GLU A 4 5.617 7.784 14.632 1.00 0.46 H new ATOM 0 HB2 GLU A 4 8.264 7.424 13.129 1.00 0.14 H new ATOM 0 HB3 GLU A 4 8.163 7.834 14.830 1.00 0.14 H new ATOM 0 HG2 GLU A 4 7.318 5.571 15.363 1.00 0.62 H new ATOM 0 HG3 GLU A 4 7.291 5.150 13.662 1.00 0.62 H new ATOM 56 N PHE A 5 6.856 9.675 12.328 1.00 0.58 N ATOM 57 CA PHE A 5 7.257 11.065 11.970 1.00 0.61 C ATOM 58 C PHE A 5 6.146 12.058 12.118 1.00 0.73 C ATOM 59 O PHE A 5 6.343 13.014 12.833 1.00 0.71 O ATOM 60 CB PHE A 5 7.740 11.053 10.565 1.00 0.65 C ATOM 61 CG PHE A 5 7.847 12.489 10.035 1.00 0.53 C ATOM 62 CD1 PHE A 5 8.782 13.396 10.498 1.00 2.57 C ATOM 63 CD2 PHE A 5 6.966 12.869 9.056 1.00 2.12 C ATOM 64 CE1 PHE A 5 8.823 14.674 9.965 1.00 2.44 C ATOM 65 CE2 PHE A 5 7.000 14.123 8.532 1.00 2.23 C ATOM 66 CZ PHE A 5 7.926 15.029 8.977 1.00 0.31 C ATOM 0 H PHE A 5 6.738 9.037 11.541 1.00 0.58 H new ATOM 0 HA PHE A 5 8.038 11.381 12.661 1.00 0.61 H new ATOM 0 HB2 PHE A 5 8.712 10.563 10.510 1.00 0.65 H new ATOM 0 HB3 PHE A 5 7.057 10.476 9.942 1.00 0.65 H new ATOM 0 HD1 PHE A 5 9.478 13.109 11.272 1.00 2.57 H new ATOM 0 HD2 PHE A 5 6.234 12.162 8.696 1.00 2.12 H new ATOM 0 HE1 PHE A 5 9.552 15.388 10.320 1.00 2.44 H new ATOM 0 HE2 PHE A 5 6.296 14.405 7.764 1.00 2.23 H new ATOM 0 HZ PHE A 5 7.955 16.023 8.554 1.00 0.31 H new ATOM 76 N ASP A 6 5.030 11.848 11.467 1.00 0.89 N ATOM 77 CA ASP A 6 3.945 12.841 11.632 1.00 1.06 C ATOM 78 C ASP A 6 3.684 12.809 13.140 1.00 0.91 C ATOM 79 O ASP A 6 3.562 13.857 13.743 1.00 0.91 O ATOM 80 CB ASP A 6 2.782 12.370 10.728 1.00 1.37 C ATOM 81 CG ASP A 6 2.621 13.301 9.511 1.00 1.75 C ATOM 82 OD1 ASP A 6 3.251 14.352 9.405 1.00 2.48 O ATOM 83 OD2 ASP A 6 1.819 12.861 8.711 1.00 2.55 O ATOM 0 H ASP A 6 4.833 11.059 10.851 1.00 0.89 H new ATOM 0 HA ASP A 6 4.141 13.871 11.333 1.00 1.06 H new ATOM 0 HB2 ASP A 6 2.969 11.351 10.389 1.00 1.37 H new ATOM 0 HB3 ASP A 6 1.855 12.350 11.301 1.00 1.37 H new ATOM 88 N LYS A 7 3.612 11.624 13.713 1.00 0.89 N ATOM 89 CA LYS A 7 3.389 11.560 15.185 1.00 0.87 C ATOM 90 C LYS A 7 4.377 12.570 15.804 1.00 0.66 C ATOM 91 O LYS A 7 3.962 13.407 16.575 1.00 0.68 O ATOM 92 CB LYS A 7 3.691 10.150 15.706 1.00 0.89 C ATOM 93 CG LYS A 7 3.536 10.179 17.257 1.00 0.87 C ATOM 94 CD LYS A 7 3.810 8.796 17.909 1.00 0.85 C ATOM 95 CE LYS A 7 5.219 8.234 17.638 1.00 2.23 C ATOM 96 NZ LYS A 7 6.271 9.110 18.254 1.00 3.13 N ATOM 0 H LYS A 7 3.696 10.727 13.235 1.00 0.89 H new ATOM 0 HA LYS A 7 2.356 11.792 15.443 1.00 0.87 H new ATOM 0 HB2 LYS A 7 3.007 9.424 15.266 1.00 0.89 H new ATOM 0 HB3 LYS A 7 4.700 9.847 15.427 1.00 0.89 H new ATOM 0 HG2 LYS A 7 4.223 10.916 17.674 1.00 0.87 H new ATOM 0 HG3 LYS A 7 2.527 10.504 17.512 1.00 0.87 H new ATOM 0 HD2 LYS A 7 3.667 8.881 18.986 1.00 0.85 H new ATOM 0 HD3 LYS A 7 3.071 8.083 17.544 1.00 0.85 H new ATOM 0 HE2 LYS A 7 5.297 7.225 18.043 1.00 2.23 H new ATOM 0 HE3 LYS A 7 5.385 8.160 16.563 1.00 2.23 H new ATOM 0 HZ1 LYS A 7 6.906 9.465 17.511 1.00 3.13 H new ATOM 0 HZ2 LYS A 7 5.817 9.913 18.734 1.00 3.13 H new ATOM 0 HZ3 LYS A 7 6.820 8.560 18.944 1.00 3.13 H new ATOM 110 N ALA A 8 5.648 12.504 15.463 1.00 0.50 N ATOM 111 CA ALA A 8 6.554 13.518 16.097 1.00 0.29 C ATOM 112 C ALA A 8 6.177 14.973 15.721 1.00 0.45 C ATOM 113 O ALA A 8 6.042 15.837 16.560 1.00 0.49 O ATOM 114 CB ALA A 8 8.001 13.195 15.668 1.00 0.17 C ATOM 0 H ALA A 8 6.074 11.839 14.817 1.00 0.50 H new ATOM 0 HA ALA A 8 6.450 13.456 17.180 1.00 0.29 H new ATOM 0 HB1 ALA A 8 8.683 13.918 16.115 1.00 0.17 H new ATOM 0 HB2 ALA A 8 8.265 12.192 16.003 1.00 0.17 H new ATOM 0 HB3 ALA A 8 8.079 13.247 14.582 1.00 0.17 H new ATOM 120 N ALA A 9 5.996 15.203 14.469 1.00 0.59 N ATOM 121 CA ALA A 9 5.638 16.566 13.976 1.00 0.70 C ATOM 122 C ALA A 9 4.426 17.133 14.732 1.00 0.73 C ATOM 123 O ALA A 9 4.342 18.301 15.081 1.00 0.77 O ATOM 124 CB ALA A 9 5.386 16.426 12.485 1.00 0.84 C ATOM 0 H ALA A 9 6.080 14.496 13.739 1.00 0.59 H new ATOM 0 HA ALA A 9 6.441 17.281 14.155 1.00 0.70 H new ATOM 0 HB1 ALA A 9 5.119 17.397 12.068 1.00 0.84 H new ATOM 0 HB2 ALA A 9 6.288 16.057 11.997 1.00 0.84 H new ATOM 0 HB3 ALA A 9 4.570 15.723 12.318 1.00 0.84 H new ATOM 130 N GLU A 10 3.511 16.253 14.989 1.00 0.73 N ATOM 131 CA GLU A 10 2.262 16.584 15.705 1.00 0.74 C ATOM 132 C GLU A 10 2.607 16.752 17.188 1.00 0.64 C ATOM 133 O GLU A 10 2.202 17.742 17.765 1.00 0.68 O ATOM 134 CB GLU A 10 1.305 15.429 15.450 1.00 0.96 C ATOM 135 CG GLU A 10 0.075 15.556 16.371 1.00 1.06 C ATOM 136 CD GLU A 10 -0.906 14.420 16.061 1.00 1.37 C ATOM 137 OE1 GLU A 10 -1.490 14.490 14.991 1.00 1.84 O ATOM 138 OE2 GLU A 10 -0.985 13.568 16.927 1.00 1.10 O ATOM 0 H GLU A 10 3.584 15.272 14.718 1.00 0.73 H new ATOM 0 HA GLU A 10 1.794 17.510 15.370 1.00 0.74 H new ATOM 0 HB2 GLU A 10 0.991 15.429 14.406 1.00 0.96 H new ATOM 0 HB3 GLU A 10 1.810 14.480 15.631 1.00 0.96 H new ATOM 0 HG2 GLU A 10 0.382 15.512 17.416 1.00 1.06 H new ATOM 0 HG3 GLU A 10 -0.409 16.521 16.221 1.00 1.06 H new ATOM 145 N GLU A 11 3.325 15.821 17.772 1.00 0.53 N ATOM 146 CA GLU A 11 3.690 15.947 19.199 1.00 0.50 C ATOM 147 C GLU A 11 4.386 17.312 19.379 1.00 0.38 C ATOM 148 O GLU A 11 4.069 18.064 20.280 1.00 0.36 O ATOM 149 CB GLU A 11 4.627 14.751 19.548 1.00 0.50 C ATOM 150 CG GLU A 11 3.860 13.391 19.750 1.00 0.68 C ATOM 151 CD GLU A 11 4.766 12.287 20.324 1.00 0.69 C ATOM 152 OE1 GLU A 11 4.860 12.340 21.532 1.00 1.51 O ATOM 153 OE2 GLU A 11 5.342 11.442 19.643 1.00 2.73 O ATOM 0 H GLU A 11 3.670 14.980 17.310 1.00 0.53 H new ATOM 0 HA GLU A 11 2.829 15.912 19.867 1.00 0.50 H new ATOM 0 HB2 GLU A 11 5.361 14.630 18.751 1.00 0.50 H new ATOM 0 HB3 GLU A 11 5.180 14.986 20.458 1.00 0.50 H new ATOM 0 HG2 GLU A 11 3.015 13.549 20.420 1.00 0.68 H new ATOM 0 HG3 GLU A 11 3.451 13.062 18.795 1.00 0.68 H new ATOM 160 N VAL A 12 5.315 17.620 18.509 1.00 0.40 N ATOM 161 CA VAL A 12 6.034 18.925 18.613 1.00 0.31 C ATOM 162 C VAL A 12 4.952 20.007 18.614 1.00 0.47 C ATOM 163 O VAL A 12 4.899 20.819 19.518 1.00 0.64 O ATOM 164 CB VAL A 12 7.032 19.035 17.413 1.00 0.25 C ATOM 165 CG1 VAL A 12 6.677 20.114 16.371 1.00 0.27 C ATOM 166 CG2 VAL A 12 8.400 19.389 17.979 1.00 0.20 C ATOM 0 H VAL A 12 5.606 17.025 17.733 1.00 0.40 H new ATOM 0 HA VAL A 12 6.631 19.029 19.519 1.00 0.31 H new ATOM 0 HB VAL A 12 6.998 18.075 16.898 1.00 0.25 H new ATOM 0 HG11 VAL A 12 7.425 20.115 15.579 1.00 0.27 H new ATOM 0 HG12 VAL A 12 5.697 19.900 15.944 1.00 0.27 H new ATOM 0 HG13 VAL A 12 6.657 21.092 16.852 1.00 0.27 H new ATOM 0 HG21 VAL A 12 9.120 19.473 17.165 1.00 0.20 H new ATOM 0 HG22 VAL A 12 8.339 20.339 18.509 1.00 0.20 H new ATOM 0 HG23 VAL A 12 8.722 18.608 18.669 1.00 0.20 H new ATOM 176 N LYS A 13 4.100 19.989 17.607 1.00 0.56 N ATOM 177 CA LYS A 13 2.994 21.009 17.537 1.00 0.93 C ATOM 178 C LYS A 13 2.202 21.117 18.868 1.00 0.89 C ATOM 179 O LYS A 13 1.514 22.095 19.077 1.00 0.73 O ATOM 180 CB LYS A 13 2.011 20.631 16.388 1.00 1.24 C ATOM 181 CG LYS A 13 2.667 20.806 14.996 1.00 2.22 C ATOM 182 CD LYS A 13 1.690 20.205 13.935 1.00 2.87 C ATOM 183 CE LYS A 13 2.300 20.155 12.528 1.00 5.58 C ATOM 184 NZ LYS A 13 3.502 19.262 12.582 1.00 7.55 N ATOM 0 H LYS A 13 4.122 19.319 16.838 1.00 0.56 H new ATOM 0 HA LYS A 13 3.457 21.977 17.347 1.00 0.93 H new ATOM 0 HB2 LYS A 13 1.687 19.598 16.511 1.00 1.24 H new ATOM 0 HB3 LYS A 13 1.119 21.254 16.452 1.00 1.24 H new ATOM 0 HG2 LYS A 13 2.854 21.860 14.791 1.00 2.22 H new ATOM 0 HG3 LYS A 13 3.631 20.298 14.960 1.00 2.22 H new ATOM 0 HD2 LYS A 13 1.405 19.198 14.239 1.00 2.87 H new ATOM 0 HD3 LYS A 13 0.777 20.800 13.910 1.00 2.87 H new ATOM 0 HE2 LYS A 13 1.573 19.775 11.810 1.00 5.58 H new ATOM 0 HE3 LYS A 13 2.581 21.155 12.198 1.00 5.58 H new ATOM 0 HZ1 LYS A 13 4.333 19.776 12.224 1.00 7.55 H new ATOM 0 HZ2 LYS A 13 3.673 18.969 13.565 1.00 7.55 H new ATOM 0 HZ3 LYS A 13 3.336 18.420 11.994 1.00 7.55 H new ATOM 198 N HIS A 14 2.341 20.122 19.710 1.00 1.03 N ATOM 199 CA HIS A 14 1.632 20.083 21.034 1.00 1.03 C ATOM 200 C HIS A 14 2.563 19.994 22.262 1.00 0.84 C ATOM 201 O HIS A 14 2.085 19.646 23.325 1.00 0.83 O ATOM 202 CB HIS A 14 0.667 18.874 21.076 1.00 1.07 C ATOM 203 CG HIS A 14 -0.379 19.030 19.995 1.00 1.04 C ATOM 204 ND1 HIS A 14 -0.171 18.694 18.780 1.00 0.90 N ATOM 205 CD2 HIS A 14 -1.668 19.516 20.015 1.00 1.17 C ATOM 206 CE1 HIS A 14 -1.230 18.939 18.070 1.00 0.96 C ATOM 207 NE2 HIS A 14 -2.186 19.453 18.803 1.00 1.08 N ATOM 0 H HIS A 14 2.933 19.311 19.531 1.00 1.03 H new ATOM 0 HA HIS A 14 1.104 21.034 21.103 1.00 1.03 H new ATOM 0 HB2 HIS A 14 1.221 17.947 20.930 1.00 1.07 H new ATOM 0 HB3 HIS A 14 0.189 18.810 22.054 1.00 1.07 H new ATOM 0 HD1 HIS A 14 0.696 18.294 18.422 1.00 0.90 H new ATOM 0 HD2 HIS A 14 -2.177 19.892 20.890 1.00 1.17 H new ATOM 0 HE1 HIS A 14 -1.312 18.744 17.011 1.00 0.96 H new ATOM 215 N LEU A 15 3.838 20.288 22.145 1.00 0.77 N ATOM 216 CA LEU A 15 4.682 20.190 23.389 1.00 0.75 C ATOM 217 C LEU A 15 4.171 21.268 24.340 1.00 1.29 C ATOM 218 O LEU A 15 3.637 22.269 23.890 1.00 1.58 O ATOM 219 CB LEU A 15 6.164 20.505 23.118 1.00 0.90 C ATOM 220 CG LEU A 15 6.755 19.564 22.102 1.00 0.95 C ATOM 221 CD1 LEU A 15 8.191 20.004 21.843 1.00 1.42 C ATOM 222 CD2 LEU A 15 6.771 18.148 22.663 1.00 0.98 C ATOM 0 H LEU A 15 4.315 20.577 21.291 1.00 0.77 H new ATOM 0 HA LEU A 15 4.612 19.176 23.782 1.00 0.75 H new ATOM 0 HB2 LEU A 15 6.259 21.531 22.763 1.00 0.90 H new ATOM 0 HB3 LEU A 15 6.727 20.436 24.049 1.00 0.90 H new ATOM 0 HG LEU A 15 6.166 19.581 21.185 1.00 0.95 H new ATOM 0 HD11 LEU A 15 8.648 19.340 21.109 1.00 1.42 H new ATOM 0 HD12 LEU A 15 8.195 21.025 21.461 1.00 1.42 H new ATOM 0 HD13 LEU A 15 8.758 19.962 22.773 1.00 1.42 H new ATOM 0 HD21 LEU A 15 7.199 17.469 21.925 1.00 0.98 H new ATOM 0 HD22 LEU A 15 7.373 18.123 23.571 1.00 0.98 H new ATOM 0 HD23 LEU A 15 5.752 17.837 22.894 1.00 0.98 H new ATOM 234 N LYS A 16 4.324 21.101 25.625 1.00 1.54 N ATOM 235 CA LYS A 16 3.805 22.199 26.496 1.00 2.24 C ATOM 236 C LYS A 16 4.795 23.355 26.540 1.00 1.56 C ATOM 237 O LYS A 16 4.426 24.455 26.909 1.00 1.65 O ATOM 238 CB LYS A 16 3.542 21.602 27.885 1.00 3.18 C ATOM 239 CG LYS A 16 3.138 22.666 28.933 1.00 3.65 C ATOM 240 CD LYS A 16 2.828 21.911 30.261 1.00 2.29 C ATOM 241 CE LYS A 16 2.480 22.883 31.392 1.00 2.25 C ATOM 242 NZ LYS A 16 1.174 23.529 31.057 1.00 3.33 N ATOM 0 H LYS A 16 4.758 20.304 26.091 1.00 1.54 H new ATOM 0 HA LYS A 16 2.876 22.609 26.101 1.00 2.24 H new ATOM 0 HB2 LYS A 16 2.751 20.855 27.810 1.00 3.18 H new ATOM 0 HB3 LYS A 16 4.438 21.084 28.228 1.00 3.18 H new ATOM 0 HG2 LYS A 16 3.942 23.387 29.079 1.00 3.65 H new ATOM 0 HG3 LYS A 16 2.266 23.226 28.596 1.00 3.65 H new ATOM 0 HD2 LYS A 16 1.998 21.222 30.104 1.00 2.29 H new ATOM 0 HD3 LYS A 16 3.691 21.310 30.549 1.00 2.29 H new ATOM 0 HE2 LYS A 16 2.411 22.354 32.342 1.00 2.25 H new ATOM 0 HE3 LYS A 16 3.261 23.636 31.502 1.00 2.25 H new ATOM 0 HZ1 LYS A 16 0.813 24.036 31.891 1.00 3.33 H new ATOM 0 HZ2 LYS A 16 1.310 24.201 30.275 1.00 3.33 H new ATOM 0 HZ3 LYS A 16 0.489 22.800 30.772 1.00 3.33 H new ATOM 256 N THR A 17 6.016 23.116 26.157 1.00 1.08 N ATOM 257 CA THR A 17 7.021 24.242 26.184 1.00 0.59 C ATOM 258 C THR A 17 7.476 24.597 24.739 1.00 0.39 C ATOM 259 O THR A 17 7.200 23.872 23.802 1.00 0.65 O ATOM 260 CB THR A 17 8.219 23.800 27.038 1.00 1.08 C ATOM 261 OG1 THR A 17 7.660 23.099 28.146 1.00 1.86 O ATOM 262 CG2 THR A 17 8.846 25.040 27.737 1.00 1.77 C ATOM 0 H THR A 17 6.368 22.216 25.832 1.00 1.08 H new ATOM 0 HA THR A 17 6.570 25.135 26.617 1.00 0.59 H new ATOM 0 HB THR A 17 8.929 23.252 26.418 1.00 1.08 H new ATOM 0 HG1 THR A 17 8.380 22.787 28.733 1.00 1.86 H new ATOM 0 HG21 THR A 17 9.696 24.725 28.343 1.00 1.77 H new ATOM 0 HG22 THR A 17 9.182 25.752 26.983 1.00 1.77 H new ATOM 0 HG23 THR A 17 8.100 25.513 28.376 1.00 1.77 H new ATOM 270 N LYS A 18 8.164 25.700 24.577 1.00 0.60 N ATOM 271 CA LYS A 18 8.646 26.136 23.211 1.00 1.10 C ATOM 272 C LYS A 18 10.106 25.823 22.766 1.00 1.04 C ATOM 273 O LYS A 18 11.043 26.391 23.302 1.00 1.09 O ATOM 274 CB LYS A 18 8.430 27.684 23.088 1.00 1.39 C ATOM 275 CG LYS A 18 6.949 28.035 22.781 1.00 1.35 C ATOM 276 CD LYS A 18 6.659 27.723 21.272 1.00 2.40 C ATOM 277 CE LYS A 18 5.153 27.743 21.006 1.00 3.40 C ATOM 278 NZ LYS A 18 4.675 29.149 21.205 1.00 4.06 N ATOM 0 H LYS A 18 8.420 26.330 25.337 1.00 0.60 H new ATOM 0 HA LYS A 18 8.049 25.517 22.541 1.00 1.10 H new ATOM 0 HB2 LYS A 18 8.734 28.169 24.016 1.00 1.39 H new ATOM 0 HB3 LYS A 18 9.069 28.079 22.298 1.00 1.39 H new ATOM 0 HG2 LYS A 18 6.283 27.456 23.421 1.00 1.35 H new ATOM 0 HG3 LYS A 18 6.759 29.087 22.992 1.00 1.35 H new ATOM 0 HD2 LYS A 18 7.157 28.458 20.639 1.00 2.40 H new ATOM 0 HD3 LYS A 18 7.069 26.747 21.010 1.00 2.40 H new ATOM 0 HE2 LYS A 18 4.939 27.406 19.992 1.00 3.40 H new ATOM 0 HE3 LYS A 18 4.636 27.063 21.683 1.00 3.40 H new ATOM 0 HZ1 LYS A 18 3.694 29.233 20.870 1.00 4.06 H new ATOM 0 HZ2 LYS A 18 4.717 29.390 22.216 1.00 4.06 H new ATOM 0 HZ3 LYS A 18 5.281 29.801 20.668 1.00 4.06 H new ATOM 292 N PRO A 19 10.296 24.917 21.827 1.00 0.93 N ATOM 293 CA PRO A 19 11.668 24.592 21.355 1.00 0.85 C ATOM 294 C PRO A 19 12.292 25.898 20.774 1.00 0.60 C ATOM 295 O PRO A 19 11.646 26.648 20.058 1.00 0.48 O ATOM 296 CB PRO A 19 11.423 23.460 20.346 1.00 0.90 C ATOM 297 CG PRO A 19 10.110 22.827 20.871 1.00 1.95 C ATOM 298 CD PRO A 19 9.270 24.068 21.149 1.00 0.90 C ATOM 0 HA PRO A 19 12.385 24.256 22.104 1.00 0.85 H new ATOM 0 HB2 PRO A 19 11.314 23.838 19.329 1.00 0.90 H new ATOM 0 HB3 PRO A 19 12.243 22.742 20.333 1.00 0.90 H new ATOM 0 HG2 PRO A 19 9.645 22.173 20.133 1.00 1.95 H new ATOM 0 HG3 PRO A 19 10.272 22.230 21.769 1.00 1.95 H new ATOM 0 HD2 PRO A 19 8.885 24.525 20.238 1.00 0.90 H new ATOM 0 HD3 PRO A 19 8.412 23.858 21.788 1.00 0.90 H new ATOM 306 N ALA A 20 13.528 26.107 21.141 1.00 0.65 N ATOM 307 CA ALA A 20 14.308 27.304 20.693 1.00 0.56 C ATOM 308 C ALA A 20 14.479 27.420 19.151 1.00 0.49 C ATOM 309 O ALA A 20 14.176 26.502 18.408 1.00 0.36 O ATOM 310 CB ALA A 20 15.661 27.208 21.422 1.00 0.68 C ATOM 0 H ALA A 20 14.048 25.478 21.753 1.00 0.65 H new ATOM 0 HA ALA A 20 13.767 28.216 20.946 1.00 0.56 H new ATOM 0 HB1 ALA A 20 16.287 28.055 21.141 1.00 0.68 H new ATOM 0 HB2 ALA A 20 15.496 27.221 22.499 1.00 0.68 H new ATOM 0 HB3 ALA A 20 16.160 26.280 21.142 1.00 0.68 H new ATOM 316 N ASP A 21 14.962 28.563 18.716 1.00 0.63 N ATOM 317 CA ASP A 21 15.183 28.816 17.258 1.00 0.66 C ATOM 318 C ASP A 21 15.751 27.601 16.520 1.00 0.63 C ATOM 319 O ASP A 21 15.105 27.067 15.644 1.00 0.65 O ATOM 320 CB ASP A 21 16.115 30.033 17.128 1.00 0.77 C ATOM 321 CG ASP A 21 15.368 31.298 17.535 1.00 1.57 C ATOM 322 OD1 ASP A 21 15.032 31.345 18.705 1.00 2.90 O ATOM 323 OD2 ASP A 21 15.163 32.151 16.679 1.00 2.54 O ATOM 0 H ASP A 21 15.216 29.343 19.323 1.00 0.63 H new ATOM 0 HA ASP A 21 14.221 29.015 16.785 1.00 0.66 H new ATOM 0 HB2 ASP A 21 16.994 29.899 17.759 1.00 0.77 H new ATOM 0 HB3 ASP A 21 16.470 30.123 16.101 1.00 0.77 H new ATOM 328 N GLU A 22 16.927 27.151 16.865 1.00 0.61 N ATOM 329 CA GLU A 22 17.446 25.955 16.118 1.00 0.51 C ATOM 330 C GLU A 22 16.539 24.728 16.128 1.00 0.41 C ATOM 331 O GLU A 22 16.674 23.833 15.318 1.00 0.59 O ATOM 332 CB GLU A 22 18.844 25.615 16.674 1.00 0.56 C ATOM 333 CG GLU A 22 19.864 26.582 15.996 1.00 1.11 C ATOM 334 CD GLU A 22 20.042 26.319 14.486 1.00 3.04 C ATOM 335 OE1 GLU A 22 19.128 26.600 13.726 1.00 5.20 O ATOM 336 OE2 GLU A 22 21.121 25.848 14.192 1.00 2.51 O ATOM 0 H GLU A 22 17.530 27.532 17.594 1.00 0.61 H new ATOM 0 HA GLU A 22 17.487 26.234 15.065 1.00 0.51 H new ATOM 0 HB2 GLU A 22 18.865 25.733 17.757 1.00 0.56 H new ATOM 0 HB3 GLU A 22 19.100 24.577 16.461 1.00 0.56 H new ATOM 0 HG2 GLU A 22 19.532 27.610 16.142 1.00 1.11 H new ATOM 0 HG3 GLU A 22 20.830 26.485 16.491 1.00 1.11 H new ATOM 343 N GLU A 23 15.614 24.712 17.034 1.00 0.18 N ATOM 344 CA GLU A 23 14.671 23.563 17.120 1.00 0.12 C ATOM 345 C GLU A 23 13.532 23.820 16.167 1.00 0.12 C ATOM 346 O GLU A 23 13.233 22.966 15.357 1.00 0.13 O ATOM 347 CB GLU A 23 14.206 23.465 18.548 1.00 0.24 C ATOM 348 CG GLU A 23 14.555 22.086 19.107 1.00 1.51 C ATOM 349 CD GLU A 23 16.028 21.652 19.116 1.00 1.76 C ATOM 350 OE1 GLU A 23 16.598 21.528 18.042 1.00 4.12 O ATOM 351 OE2 GLU A 23 16.505 21.444 20.216 1.00 0.57 O ATOM 0 H GLU A 23 15.465 25.447 17.725 1.00 0.18 H new ATOM 0 HA GLU A 23 15.136 22.617 16.841 1.00 0.12 H new ATOM 0 HB2 GLU A 23 14.678 24.242 19.149 1.00 0.24 H new ATOM 0 HB3 GLU A 23 13.130 23.629 18.603 1.00 0.24 H new ATOM 0 HG2 GLU A 23 14.190 22.042 20.133 1.00 1.51 H new ATOM 0 HG3 GLU A 23 13.994 21.345 18.537 1.00 1.51 H new ATOM 358 N MET A 24 12.928 24.970 16.299 1.00 0.13 N ATOM 359 CA MET A 24 11.803 25.281 15.359 1.00 0.18 C ATOM 360 C MET A 24 12.449 25.173 13.949 1.00 0.33 C ATOM 361 O MET A 24 11.825 24.659 13.044 1.00 0.42 O ATOM 362 CB MET A 24 11.239 26.712 15.657 1.00 0.11 C ATOM 363 CG MET A 24 12.277 27.826 15.555 1.00 2.25 C ATOM 364 SD MET A 24 11.693 29.532 15.706 1.00 2.50 S ATOM 365 CE MET A 24 11.522 29.615 17.507 1.00 3.58 C ATOM 0 H MET A 24 13.150 25.687 16.989 1.00 0.13 H new ATOM 0 HA MET A 24 10.951 24.608 15.454 1.00 0.18 H new ATOM 0 HB2 MET A 24 10.427 26.922 14.961 1.00 0.11 H new ATOM 0 HB3 MET A 24 10.811 26.720 16.659 1.00 0.11 H new ATOM 0 HG2 MET A 24 13.027 27.658 16.328 1.00 2.25 H new ATOM 0 HG3 MET A 24 12.782 27.728 14.594 1.00 2.25 H new ATOM 0 HE1 MET A 24 10.690 30.271 17.764 1.00 3.58 H new ATOM 0 HE2 MET A 24 11.332 28.617 17.901 1.00 3.58 H new ATOM 0 HE3 MET A 24 12.441 30.008 17.942 1.00 3.58 H new ATOM 375 N LEU A 25 13.668 25.640 13.807 1.00 0.37 N ATOM 376 CA LEU A 25 14.407 25.587 12.526 1.00 0.44 C ATOM 377 C LEU A 25 14.685 24.099 12.209 1.00 0.33 C ATOM 378 O LEU A 25 14.375 23.666 11.119 1.00 0.29 O ATOM 379 CB LEU A 25 15.679 26.423 12.738 1.00 0.53 C ATOM 380 CG LEU A 25 15.366 27.949 12.836 1.00 0.85 C ATOM 381 CD1 LEU A 25 16.664 28.689 13.138 1.00 0.91 C ATOM 382 CD2 LEU A 25 14.886 28.510 11.502 1.00 1.01 C ATOM 0 H LEU A 25 14.193 26.072 14.567 1.00 0.37 H new ATOM 0 HA LEU A 25 13.865 25.995 11.673 1.00 0.44 H new ATOM 0 HB2 LEU A 25 16.180 26.096 13.649 1.00 0.53 H new ATOM 0 HB3 LEU A 25 16.370 26.247 11.914 1.00 0.53 H new ATOM 0 HG LEU A 25 14.602 28.078 13.603 1.00 0.85 H new ATOM 0 HD11 LEU A 25 16.465 29.758 13.210 1.00 0.91 H new ATOM 0 HD12 LEU A 25 17.075 28.332 14.082 1.00 0.91 H new ATOM 0 HD13 LEU A 25 17.381 28.507 12.338 1.00 0.91 H new ATOM 0 HD21 LEU A 25 14.678 29.575 11.609 1.00 1.01 H new ATOM 0 HD22 LEU A 25 15.659 28.365 10.747 1.00 1.01 H new ATOM 0 HD23 LEU A 25 13.978 27.992 11.195 1.00 1.01 H new ATOM 394 N PHE A 26 15.230 23.315 13.109 1.00 0.31 N ATOM 395 CA PHE A 26 15.482 21.866 12.767 1.00 0.18 C ATOM 396 C PHE A 26 14.149 21.232 12.311 1.00 0.13 C ATOM 397 O PHE A 26 14.042 20.711 11.218 1.00 0.14 O ATOM 398 CB PHE A 26 16.006 21.133 14.006 1.00 0.18 C ATOM 399 CG PHE A 26 16.508 19.756 13.557 1.00 0.16 C ATOM 400 CD1 PHE A 26 17.774 19.639 13.022 1.00 2.26 C ATOM 401 CD2 PHE A 26 15.715 18.631 13.659 1.00 2.46 C ATOM 402 CE1 PHE A 26 18.242 18.419 12.595 1.00 2.21 C ATOM 403 CE2 PHE A 26 16.181 17.404 13.229 1.00 2.52 C ATOM 404 CZ PHE A 26 17.446 17.298 12.697 1.00 0.23 C ATOM 0 H PHE A 26 15.508 23.601 14.048 1.00 0.31 H new ATOM 0 HA PHE A 26 16.222 21.790 11.970 1.00 0.18 H new ATOM 0 HB2 PHE A 26 16.811 21.700 14.473 1.00 0.18 H new ATOM 0 HB3 PHE A 26 15.217 21.028 14.750 1.00 0.18 H new ATOM 0 HD1 PHE A 26 18.403 20.513 12.938 1.00 2.26 H new ATOM 0 HD2 PHE A 26 14.723 18.711 14.078 1.00 2.46 H new ATOM 0 HE1 PHE A 26 19.235 18.339 12.179 1.00 2.21 H new ATOM 0 HE2 PHE A 26 15.554 16.529 13.310 1.00 2.52 H new ATOM 0 HZ PHE A 26 17.814 16.340 12.361 1.00 0.23 H new ATOM 414 N ILE A 27 13.181 21.314 13.190 1.00 0.25 N ATOM 415 CA ILE A 27 11.813 20.764 12.916 1.00 0.23 C ATOM 416 C ILE A 27 11.436 21.337 11.552 1.00 0.22 C ATOM 417 O ILE A 27 11.454 20.632 10.578 1.00 0.25 O ATOM 418 CB ILE A 27 10.876 21.254 14.052 1.00 0.26 C ATOM 419 CG1 ILE A 27 10.876 20.284 15.281 1.00 0.24 C ATOM 420 CG2 ILE A 27 9.393 21.393 13.584 1.00 0.28 C ATOM 421 CD1 ILE A 27 12.288 19.914 15.788 1.00 0.27 C ATOM 0 H ILE A 27 13.282 21.749 14.107 1.00 0.25 H new ATOM 0 HA ILE A 27 11.750 19.676 12.894 1.00 0.23 H new ATOM 0 HB ILE A 27 11.274 22.228 14.336 1.00 0.26 H new ATOM 0 HG12 ILE A 27 10.318 20.746 16.096 1.00 0.24 H new ATOM 0 HG13 ILE A 27 10.347 19.370 15.010 1.00 0.24 H new ATOM 0 HG21 ILE A 27 8.780 21.739 14.416 1.00 0.28 H new ATOM 0 HG22 ILE A 27 9.335 22.113 12.767 1.00 0.28 H new ATOM 0 HG23 ILE A 27 9.027 20.425 13.241 1.00 0.28 H new ATOM 0 HD11 ILE A 27 12.203 19.240 16.640 1.00 0.27 H new ATOM 0 HD12 ILE A 27 12.844 19.422 14.990 1.00 0.27 H new ATOM 0 HD13 ILE A 27 12.814 20.819 16.092 1.00 0.27 H new ATOM 433 N TYR A 28 11.071 22.587 11.534 1.00 0.36 N ATOM 434 CA TYR A 28 10.704 23.258 10.254 1.00 0.38 C ATOM 435 C TYR A 28 11.449 22.709 9.027 1.00 0.31 C ATOM 436 O TYR A 28 10.824 22.227 8.100 1.00 0.30 O ATOM 437 CB TYR A 28 10.987 24.780 10.320 1.00 0.46 C ATOM 438 CG TYR A 28 10.222 25.396 9.146 1.00 0.51 C ATOM 439 CD1 TYR A 28 10.638 25.196 7.843 1.00 0.35 C ATOM 440 CD2 TYR A 28 9.077 26.123 9.385 1.00 0.89 C ATOM 441 CE1 TYR A 28 9.922 25.698 6.798 1.00 0.46 C ATOM 442 CE2 TYR A 28 8.351 26.635 8.326 1.00 0.96 C ATOM 443 CZ TYR A 28 8.775 26.413 7.036 1.00 0.72 C ATOM 444 OH TYR A 28 8.025 26.844 5.981 1.00 0.82 O ATOM 0 H TYR A 28 11.010 23.181 12.361 1.00 0.36 H new ATOM 0 HA TYR A 28 9.640 23.054 10.134 1.00 0.38 H new ATOM 0 HB2 TYR A 28 10.652 25.200 11.269 1.00 0.46 H new ATOM 0 HB3 TYR A 28 12.055 24.983 10.241 1.00 0.46 H new ATOM 0 HD1 TYR A 28 11.541 24.635 7.651 1.00 0.35 H new ATOM 0 HD2 TYR A 28 8.747 26.293 10.399 1.00 0.89 H new ATOM 0 HE1 TYR A 28 10.256 25.534 5.784 1.00 0.46 H new ATOM 0 HE2 TYR A 28 7.454 27.207 8.511 1.00 0.96 H new ATOM 0 HH TYR A 28 7.244 27.334 6.313 1.00 0.82 H new ATOM 454 N SER A 29 12.756 22.779 9.045 1.00 0.26 N ATOM 455 CA SER A 29 13.583 22.293 7.898 1.00 0.17 C ATOM 456 C SER A 29 13.292 20.850 7.526 1.00 0.10 C ATOM 457 O SER A 29 12.859 20.542 6.427 1.00 0.17 O ATOM 458 CB SER A 29 15.083 22.514 8.311 1.00 0.17 C ATOM 459 OG SER A 29 15.303 21.731 9.481 1.00 0.18 O ATOM 0 H SER A 29 13.296 23.160 9.822 1.00 0.26 H new ATOM 0 HA SER A 29 13.341 22.851 6.994 1.00 0.17 H new ATOM 0 HB2 SER A 29 15.755 22.209 7.509 1.00 0.17 H new ATOM 0 HB3 SER A 29 15.279 23.568 8.508 1.00 0.17 H new ATOM 0 HG SER A 29 14.699 22.029 10.193 1.00 0.18 H new ATOM 465 N HIS A 30 13.518 20.001 8.478 1.00 0.05 N ATOM 466 CA HIS A 30 13.291 18.554 8.277 1.00 0.07 C ATOM 467 C HIS A 30 11.837 18.228 7.964 1.00 0.15 C ATOM 468 O HIS A 30 11.583 17.389 7.127 1.00 0.21 O ATOM 469 CB HIS A 30 13.763 17.863 9.550 1.00 0.12 C ATOM 470 CG HIS A 30 15.268 17.965 9.616 1.00 0.19 C ATOM 471 ND1 HIS A 30 15.945 19.058 9.733 1.00 0.22 N ATOM 472 CD2 HIS A 30 16.210 16.965 9.554 1.00 0.28 C ATOM 473 CE1 HIS A 30 17.209 18.770 9.742 1.00 0.31 C ATOM 474 NE2 HIS A 30 17.420 17.478 9.633 1.00 0.34 N ATOM 0 H HIS A 30 13.857 20.255 9.406 1.00 0.05 H new ATOM 0 HA HIS A 30 13.848 18.202 7.409 1.00 0.07 H new ATOM 0 HB2 HIS A 30 13.312 18.331 10.425 1.00 0.12 H new ATOM 0 HB3 HIS A 30 13.453 16.818 9.552 1.00 0.12 H new ATOM 0 HD1 HIS A 30 15.550 19.995 9.806 1.00 0.22 H new ATOM 0 HD2 HIS A 30 15.989 15.912 9.455 1.00 0.28 H new ATOM 0 HE1 HIS A 30 17.995 19.505 9.829 1.00 0.31 H new ATOM 482 N TYR A 31 10.911 18.891 8.593 1.00 0.15 N ATOM 483 CA TYR A 31 9.482 18.596 8.324 1.00 0.21 C ATOM 484 C TYR A 31 9.208 18.956 6.879 1.00 0.28 C ATOM 485 O TYR A 31 8.569 18.196 6.175 1.00 0.29 O ATOM 486 CB TYR A 31 8.536 19.448 9.200 1.00 0.16 C ATOM 487 CG TYR A 31 7.111 18.866 9.015 1.00 0.25 C ATOM 488 CD1 TYR A 31 6.756 17.713 9.689 1.00 0.44 C ATOM 489 CD2 TYR A 31 6.183 19.445 8.167 1.00 0.36 C ATOM 490 CE1 TYR A 31 5.505 17.143 9.517 1.00 0.69 C ATOM 491 CE2 TYR A 31 4.931 18.865 8.007 1.00 0.58 C ATOM 492 CZ TYR A 31 4.588 17.713 8.679 1.00 0.75 C ATOM 493 OH TYR A 31 3.349 17.123 8.531 1.00 1.08 O ATOM 0 H TYR A 31 11.083 19.624 9.281 1.00 0.15 H new ATOM 0 HA TYR A 31 9.301 17.544 8.544 1.00 0.21 H new ATOM 0 HB2 TYR A 31 8.837 19.408 10.247 1.00 0.16 H new ATOM 0 HB3 TYR A 31 8.568 20.495 8.899 1.00 0.16 H new ATOM 0 HD1 TYR A 31 7.464 17.249 10.360 1.00 0.44 H new ATOM 0 HD2 TYR A 31 6.432 20.348 7.630 1.00 0.36 H new ATOM 0 HE1 TYR A 31 5.252 16.239 10.051 1.00 0.69 H new ATOM 0 HE2 TYR A 31 4.214 19.326 7.344 1.00 0.58 H new ATOM 0 HH TYR A 31 3.389 16.195 8.843 1.00 1.08 H new ATOM 503 N LYS A 32 9.694 20.095 6.452 1.00 0.33 N ATOM 504 CA LYS A 32 9.411 20.437 5.037 1.00 0.41 C ATOM 505 C LYS A 32 10.104 19.470 4.093 1.00 0.52 C ATOM 506 O LYS A 32 9.385 18.924 3.286 1.00 0.60 O ATOM 507 CB LYS A 32 9.850 21.873 4.776 1.00 0.50 C ATOM 508 CG LYS A 32 9.076 22.887 5.619 1.00 0.47 C ATOM 509 CD LYS A 32 7.550 22.626 5.646 1.00 1.03 C ATOM 510 CE LYS A 32 6.836 23.696 6.464 1.00 1.53 C ATOM 511 NZ LYS A 32 7.453 23.779 7.834 1.00 3.91 N ATOM 0 H LYS A 32 10.243 20.765 6.990 1.00 0.33 H new ATOM 0 HA LYS A 32 8.340 20.351 4.852 1.00 0.41 H new ATOM 0 HB2 LYS A 32 10.915 21.968 4.988 1.00 0.50 H new ATOM 0 HB3 LYS A 32 9.713 22.105 3.720 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.459 22.868 6.639 1.00 0.47 H new ATOM 0 HG3 LYS A 32 9.259 23.888 5.229 1.00 0.47 H new ATOM 0 HD2 LYS A 32 7.159 22.618 4.629 1.00 1.03 H new ATOM 0 HD3 LYS A 32 7.351 21.642 6.072 1.00 1.03 H new ATOM 0 HE2 LYS A 32 6.909 24.661 5.962 1.00 1.53 H new ATOM 0 HE3 LYS A 32 5.775 23.458 6.545 1.00 1.53 H new ATOM 0 HZ1 LYS A 32 6.708 23.944 8.541 1.00 3.91 H new ATOM 0 HZ2 LYS A 32 7.942 22.887 8.049 1.00 3.91 H new ATOM 0 HZ3 LYS A 32 8.135 24.563 7.860 1.00 3.91 H new ATOM 525 N GLN A 33 11.393 19.242 4.156 1.00 0.52 N ATOM 526 CA GLN A 33 11.964 18.249 3.165 1.00 0.64 C ATOM 527 C GLN A 33 11.227 16.907 3.272 1.00 0.72 C ATOM 528 O GLN A 33 10.961 16.256 2.283 1.00 0.88 O ATOM 529 CB GLN A 33 13.458 18.028 3.429 1.00 0.58 C ATOM 530 CG GLN A 33 14.065 16.973 2.423 1.00 0.89 C ATOM 531 CD GLN A 33 13.743 17.214 0.931 1.00 1.09 C ATOM 532 OE1 GLN A 33 12.852 16.654 0.339 1.00 2.52 O ATOM 533 NE2 GLN A 33 14.418 18.032 0.214 1.00 1.38 N ATOM 0 H GLN A 33 12.052 19.668 4.808 1.00 0.52 H new ATOM 0 HA GLN A 33 11.833 18.655 2.162 1.00 0.64 H new ATOM 0 HB2 GLN A 33 13.991 18.974 3.333 1.00 0.58 H new ATOM 0 HB3 GLN A 33 13.602 17.683 4.453 1.00 0.58 H new ATOM 0 HG2 GLN A 33 15.148 16.962 2.546 1.00 0.89 H new ATOM 0 HG3 GLN A 33 13.702 15.983 2.700 1.00 0.89 H new ATOM 0 HE21 GLN A 33 15.192 18.553 0.626 1.00 1.38 H new ATOM 0 HE22 GLN A 33 14.182 18.163 -0.770 1.00 1.38 H new ATOM 542 N ALA A 34 10.922 16.517 4.478 1.00 0.60 N ATOM 543 CA ALA A 34 10.208 15.238 4.714 1.00 0.66 C ATOM 544 C ALA A 34 8.820 15.180 4.025 1.00 0.70 C ATOM 545 O ALA A 34 8.550 14.245 3.298 1.00 0.87 O ATOM 546 CB ALA A 34 10.081 15.091 6.231 1.00 0.60 C ATOM 0 H ALA A 34 11.143 17.043 5.324 1.00 0.60 H new ATOM 0 HA ALA A 34 10.770 14.414 4.275 1.00 0.66 H new ATOM 0 HB1 ALA A 34 9.561 14.162 6.464 1.00 0.60 H new ATOM 0 HB2 ALA A 34 11.074 15.073 6.679 1.00 0.60 H new ATOM 0 HB3 ALA A 34 9.517 15.933 6.632 1.00 0.60 H new ATOM 552 N THR A 35 8.005 16.175 4.275 1.00 0.56 N ATOM 553 CA THR A 35 6.615 16.222 3.674 1.00 0.59 C ATOM 554 C THR A 35 6.356 17.094 2.464 1.00 0.65 C ATOM 555 O THR A 35 5.596 16.699 1.602 1.00 0.64 O ATOM 556 CB THR A 35 5.579 16.642 4.756 1.00 0.42 C ATOM 557 OG1 THR A 35 5.986 17.908 5.239 1.00 0.29 O ATOM 558 CG2 THR A 35 5.709 15.806 6.001 1.00 0.40 C ATOM 0 H THR A 35 8.236 16.968 4.873 1.00 0.56 H new ATOM 0 HA THR A 35 6.514 15.201 3.307 1.00 0.59 H new ATOM 0 HB THR A 35 4.589 16.576 4.306 1.00 0.42 H new ATOM 0 HG1 THR A 35 5.602 18.058 6.128 1.00 0.29 H new ATOM 0 HG21 THR A 35 4.970 16.128 6.734 1.00 0.40 H new ATOM 0 HG22 THR A 35 5.543 14.757 5.754 1.00 0.40 H new ATOM 0 HG23 THR A 35 6.709 15.926 6.417 1.00 0.40 H new ATOM 566 N VAL A 36 6.956 18.240 2.400 1.00 0.80 N ATOM 567 CA VAL A 36 6.731 19.142 1.206 1.00 0.90 C ATOM 568 C VAL A 36 7.741 18.719 0.130 1.00 0.92 C ATOM 569 O VAL A 36 7.414 18.598 -1.037 1.00 1.01 O ATOM 570 CB VAL A 36 6.955 20.636 1.624 1.00 0.82 C ATOM 571 CG1 VAL A 36 6.755 21.583 0.388 1.00 1.00 C ATOM 572 CG2 VAL A 36 5.915 21.026 2.701 1.00 0.90 C ATOM 0 H VAL A 36 7.592 18.606 3.109 1.00 0.80 H new ATOM 0 HA VAL A 36 5.713 19.055 0.826 1.00 0.90 H new ATOM 0 HB VAL A 36 7.969 20.741 2.009 1.00 0.82 H new ATOM 0 HG11 VAL A 36 6.914 22.617 0.693 1.00 1.00 H new ATOM 0 HG12 VAL A 36 7.471 21.320 -0.391 1.00 1.00 H new ATOM 0 HG13 VAL A 36 5.742 21.470 0.003 1.00 1.00 H new ATOM 0 HG21 VAL A 36 6.067 22.065 2.995 1.00 0.90 H new ATOM 0 HG22 VAL A 36 4.910 20.907 2.296 1.00 0.90 H new ATOM 0 HG23 VAL A 36 6.034 20.382 3.572 1.00 0.90 H new ATOM 582 N GLY A 37 8.936 18.505 0.609 1.00 0.88 N ATOM 583 CA GLY A 37 10.104 18.080 -0.227 1.00 0.90 C ATOM 584 C GLY A 37 11.169 19.173 -0.322 1.00 0.82 C ATOM 585 O GLY A 37 11.372 19.990 0.565 1.00 0.69 O ATOM 0 H GLY A 37 9.163 18.613 1.597 1.00 0.88 H new ATOM 0 HA2 GLY A 37 10.546 17.179 0.199 1.00 0.90 H new ATOM 0 HA3 GLY A 37 9.759 17.823 -1.228 1.00 0.90 H new ATOM 589 N ASP A 38 11.866 19.095 -1.418 1.00 0.88 N ATOM 590 CA ASP A 38 12.928 20.056 -1.746 1.00 0.86 C ATOM 591 C ASP A 38 12.315 21.464 -1.550 1.00 0.79 C ATOM 592 O ASP A 38 11.109 21.640 -1.493 1.00 1.56 O ATOM 593 CB ASP A 38 13.328 19.744 -3.204 1.00 1.19 C ATOM 594 CG ASP A 38 13.503 18.249 -3.542 1.00 1.48 C ATOM 595 OD1 ASP A 38 13.350 17.381 -2.679 1.00 2.34 O ATOM 596 OD2 ASP A 38 13.802 18.081 -4.712 1.00 2.81 O ATOM 0 H ASP A 38 11.729 18.370 -2.123 1.00 0.88 H new ATOM 0 HA ASP A 38 13.823 20.000 -1.127 1.00 0.86 H new ATOM 0 HB2 ASP A 38 12.570 20.162 -3.867 1.00 1.19 H new ATOM 0 HB3 ASP A 38 14.263 20.260 -3.424 1.00 1.19 H new ATOM 601 N ILE A 39 13.136 22.457 -1.480 1.00 0.91 N ATOM 602 CA ILE A 39 12.502 23.771 -1.280 1.00 0.66 C ATOM 603 C ILE A 39 12.321 24.437 -2.653 1.00 0.98 C ATOM 604 O ILE A 39 13.247 24.799 -3.355 1.00 1.44 O ATOM 605 CB ILE A 39 13.415 24.482 -0.310 1.00 0.46 C ATOM 606 CG1 ILE A 39 12.575 25.648 0.201 1.00 0.56 C ATOM 607 CG2 ILE A 39 14.774 24.878 -0.966 1.00 0.73 C ATOM 608 CD1 ILE A 39 13.186 26.160 1.476 1.00 1.05 C ATOM 0 H ILE A 39 14.153 22.427 -1.547 1.00 0.91 H new ATOM 0 HA ILE A 39 11.498 23.758 -0.856 1.00 0.66 H new ATOM 0 HB ILE A 39 13.740 23.857 0.522 1.00 0.46 H new ATOM 0 HG12 ILE A 39 12.537 26.442 -0.545 1.00 0.56 H new ATOM 0 HG13 ILE A 39 11.549 25.326 0.377 1.00 0.56 H new ATOM 0 HG21 ILE A 39 15.398 25.387 -0.231 1.00 0.73 H new ATOM 0 HG22 ILE A 39 15.284 23.981 -1.316 1.00 0.73 H new ATOM 0 HG23 ILE A 39 14.591 25.544 -1.809 1.00 0.73 H new ATOM 0 HD11 ILE A 39 12.595 26.995 1.853 1.00 1.05 H new ATOM 0 HD12 ILE A 39 13.201 25.362 2.218 1.00 1.05 H new ATOM 0 HD13 ILE A 39 14.205 26.495 1.282 1.00 1.05 H new ATOM 805 N LYS A 52 13.639 33.870 6.722 1.00 0.91 N ATOM 806 CA LYS A 52 14.752 33.515 5.792 1.00 0.78 C ATOM 807 C LYS A 52 15.584 32.392 6.410 1.00 0.38 C ATOM 808 O LYS A 52 15.968 31.496 5.703 1.00 0.58 O ATOM 809 CB LYS A 52 15.628 34.750 5.558 1.00 0.91 C ATOM 810 CG LYS A 52 16.761 34.398 4.539 1.00 2.28 C ATOM 811 CD LYS A 52 17.673 35.638 4.363 1.00 2.35 C ATOM 812 CE LYS A 52 18.784 35.641 5.417 1.00 1.25 C ATOM 813 NZ LYS A 52 19.189 37.068 5.641 1.00 3.86 N ATOM 0 HA LYS A 52 14.347 33.178 4.838 1.00 0.78 H new ATOM 0 HB2 LYS A 52 15.022 35.572 5.176 1.00 0.91 H new ATOM 0 HB3 LYS A 52 16.062 35.085 6.500 1.00 0.91 H new ATOM 0 HG2 LYS A 52 17.343 33.549 4.899 1.00 2.28 H new ATOM 0 HG3 LYS A 52 16.331 34.106 3.581 1.00 2.28 H new ATOM 0 HD2 LYS A 52 18.111 35.636 3.365 1.00 2.35 H new ATOM 0 HD3 LYS A 52 17.080 36.548 4.449 1.00 2.35 H new ATOM 0 HE2 LYS A 52 18.432 35.192 6.346 1.00 1.25 H new ATOM 0 HE3 LYS A 52 19.635 35.049 5.079 1.00 1.25 H new ATOM 0 HZ1 LYS A 52 19.945 37.106 6.354 1.00 3.86 H new ATOM 0 HZ2 LYS A 52 19.534 37.475 4.748 1.00 3.86 H new ATOM 0 HZ3 LYS A 52 18.369 37.613 5.976 1.00 3.86 H new ATOM 827 N ALA A 53 15.815 32.470 7.703 1.00 0.14 N ATOM 828 CA ALA A 53 16.619 31.417 8.405 1.00 0.51 C ATOM 829 C ALA A 53 15.853 30.109 8.177 1.00 0.41 C ATOM 830 O ALA A 53 16.319 29.232 7.496 1.00 0.39 O ATOM 831 CB ALA A 53 16.694 31.794 9.889 1.00 0.92 C ATOM 0 H ALA A 53 15.479 33.223 8.304 1.00 0.14 H new ATOM 0 HA ALA A 53 17.642 31.319 8.041 1.00 0.51 H new ATOM 0 HB1 ALA A 53 17.274 31.044 10.426 1.00 0.92 H new ATOM 0 HB2 ALA A 53 17.174 32.767 9.993 1.00 0.92 H new ATOM 0 HB3 ALA A 53 15.687 31.839 10.304 1.00 0.92 H new ATOM 837 N LYS A 54 14.684 29.997 8.744 1.00 0.77 N ATOM 838 CA LYS A 54 13.846 28.769 8.574 1.00 1.06 C ATOM 839 C LYS A 54 13.849 28.262 7.118 1.00 0.82 C ATOM 840 O LYS A 54 13.946 27.084 6.805 1.00 0.67 O ATOM 841 CB LYS A 54 12.470 29.213 9.167 1.00 1.56 C ATOM 842 CG LYS A 54 11.319 28.377 8.636 1.00 1.60 C ATOM 843 CD LYS A 54 10.793 29.093 7.393 1.00 1.59 C ATOM 844 CE LYS A 54 9.852 30.248 7.796 1.00 2.60 C ATOM 845 NZ LYS A 54 9.229 30.806 6.564 1.00 3.14 N ATOM 0 H LYS A 54 14.263 30.718 9.330 1.00 0.77 H new ATOM 0 HA LYS A 54 14.211 27.881 9.090 1.00 1.06 H new ATOM 0 HB2 LYS A 54 12.502 29.135 10.254 1.00 1.56 H new ATOM 0 HB3 LYS A 54 12.295 30.262 8.928 1.00 1.56 H new ATOM 0 HG2 LYS A 54 11.654 27.369 8.390 1.00 1.60 H new ATOM 0 HG3 LYS A 54 10.535 28.277 9.386 1.00 1.60 H new ATOM 0 HD2 LYS A 54 11.627 29.482 6.809 1.00 1.59 H new ATOM 0 HD3 LYS A 54 10.260 28.386 6.757 1.00 1.59 H new ATOM 0 HE2 LYS A 54 9.083 29.888 8.479 1.00 2.60 H new ATOM 0 HE3 LYS A 54 10.409 31.023 8.323 1.00 2.60 H new ATOM 0 HZ1 LYS A 54 8.591 31.586 6.820 1.00 3.14 H new ATOM 0 HZ2 LYS A 54 9.972 31.161 5.929 1.00 3.14 H new ATOM 0 HZ3 LYS A 54 8.688 30.061 6.081 1.00 3.14 H new ATOM 859 N TRP A 55 13.762 29.217 6.244 1.00 0.86 N ATOM 860 CA TRP A 55 13.743 28.898 4.815 1.00 0.87 C ATOM 861 C TRP A 55 15.038 28.235 4.384 1.00 0.61 C ATOM 862 O TRP A 55 15.090 27.085 4.004 1.00 0.66 O ATOM 863 CB TRP A 55 13.528 30.190 4.059 1.00 1.07 C ATOM 864 CG TRP A 55 13.120 29.676 2.717 1.00 1.34 C ATOM 865 CD1 TRP A 55 11.859 29.303 2.447 1.00 1.77 C ATOM 866 CD2 TRP A 55 13.900 29.474 1.656 1.00 1.36 C ATOM 867 NE1 TRP A 55 11.925 28.880 1.211 1.00 1.94 N ATOM 868 CE2 TRP A 55 13.105 28.949 0.657 1.00 1.76 C ATOM 869 CE3 TRP A 55 15.259 29.654 1.431 1.00 1.23 C ATOM 870 CZ2 TRP A 55 13.615 28.610 -0.556 1.00 1.97 C ATOM 871 CZ3 TRP A 55 15.795 29.302 0.207 1.00 1.55 C ATOM 872 CH2 TRP A 55 14.957 28.785 -0.773 1.00 1.91 C ATOM 0 H TRP A 55 13.703 30.210 6.469 1.00 0.86 H new ATOM 0 HA TRP A 55 12.939 28.193 4.602 1.00 0.87 H new ATOM 0 HB2 TRP A 55 12.756 30.810 4.515 1.00 1.07 H new ATOM 0 HB3 TRP A 55 14.434 30.794 4.010 1.00 1.07 H new ATOM 0 HD1 TRP A 55 10.996 29.343 3.095 1.00 1.77 H new ATOM 0 HE1 TRP A 55 11.110 28.521 0.714 1.00 1.94 H new ATOM 0 HE3 TRP A 55 15.890 30.065 2.205 1.00 1.23 H new ATOM 0 HZ2 TRP A 55 12.977 28.212 -1.331 1.00 1.97 H new ATOM 0 HZ3 TRP A 55 16.850 29.427 0.015 1.00 1.55 H new ATOM 0 HH2 TRP A 55 15.374 28.514 -1.732 1.00 1.91 H new ATOM 883 N ASP A 56 16.062 29.010 4.472 1.00 0.38 N ATOM 884 CA ASP A 56 17.403 28.498 4.089 1.00 0.48 C ATOM 885 C ASP A 56 17.675 27.177 4.844 1.00 0.35 C ATOM 886 O ASP A 56 18.183 26.219 4.307 1.00 0.41 O ATOM 887 CB ASP A 56 18.410 29.591 4.443 1.00 0.58 C ATOM 888 CG ASP A 56 18.396 30.607 3.305 1.00 0.87 C ATOM 889 OD1 ASP A 56 18.589 30.149 2.184 1.00 2.36 O ATOM 890 OD2 ASP A 56 18.197 31.757 3.644 1.00 0.47 O ATOM 0 H ASP A 56 16.038 29.978 4.792 1.00 0.38 H new ATOM 0 HA ASP A 56 17.476 28.274 3.025 1.00 0.48 H new ATOM 0 HB2 ASP A 56 18.144 30.067 5.387 1.00 0.58 H new ATOM 0 HB3 ASP A 56 19.407 29.169 4.569 1.00 0.58 H new ATOM 895 N ALA A 57 17.306 27.160 6.093 1.00 0.17 N ATOM 896 CA ALA A 57 17.470 25.984 7.002 1.00 0.12 C ATOM 897 C ALA A 57 16.772 24.784 6.332 1.00 0.03 C ATOM 898 O ALA A 57 17.232 23.665 6.396 1.00 0.07 O ATOM 899 CB ALA A 57 16.831 26.327 8.359 1.00 0.22 C ATOM 0 H ALA A 57 16.871 27.962 6.549 1.00 0.17 H new ATOM 0 HA ALA A 57 18.518 25.737 7.174 1.00 0.12 H new ATOM 0 HB1 ALA A 57 16.940 25.481 9.037 1.00 0.22 H new ATOM 0 HB2 ALA A 57 17.327 27.199 8.785 1.00 0.22 H new ATOM 0 HB3 ALA A 57 15.772 26.544 8.218 1.00 0.22 H new ATOM 905 N TRP A 58 15.658 25.031 5.686 1.00 0.17 N ATOM 906 CA TRP A 58 14.965 23.902 5.008 1.00 0.31 C ATOM 907 C TRP A 58 15.791 23.708 3.737 1.00 0.36 C ATOM 908 O TRP A 58 16.182 22.585 3.512 1.00 0.37 O ATOM 909 CB TRP A 58 13.571 24.298 4.677 1.00 0.40 C ATOM 910 CG TRP A 58 12.911 23.308 3.680 1.00 0.41 C ATOM 911 CD1 TRP A 58 13.356 22.069 3.238 1.00 0.43 C ATOM 912 CD2 TRP A 58 11.741 23.592 3.071 1.00 0.49 C ATOM 913 NE1 TRP A 58 12.406 21.720 2.392 1.00 0.52 N ATOM 914 CE2 TRP A 58 11.403 22.558 2.220 1.00 0.53 C ATOM 915 CE3 TRP A 58 10.903 24.704 3.181 1.00 0.55 C ATOM 916 CZ2 TRP A 58 10.233 22.618 1.470 1.00 0.58 C ATOM 917 CZ3 TRP A 58 9.729 24.774 2.436 1.00 0.58 C ATOM 918 CH2 TRP A 58 9.395 23.730 1.577 1.00 0.59 C ATOM 0 H TRP A 58 15.211 25.944 5.602 1.00 0.17 H new ATOM 0 HA TRP A 58 14.896 22.997 5.611 1.00 0.31 H new ATOM 0 HB2 TRP A 58 12.979 24.342 5.591 1.00 0.40 H new ATOM 0 HB3 TRP A 58 13.570 25.300 4.248 1.00 0.40 H new ATOM 0 HD1 TRP A 58 14.250 21.530 3.515 1.00 0.43 H new ATOM 0 HE1 TRP A 58 12.446 20.834 1.889 1.00 0.52 H new ATOM 0 HE3 TRP A 58 11.167 25.513 3.847 1.00 0.55 H new ATOM 0 HZ2 TRP A 58 9.973 21.806 0.806 1.00 0.58 H new ATOM 0 HZ3 TRP A 58 9.081 25.633 2.524 1.00 0.58 H new ATOM 0 HH2 TRP A 58 8.488 23.780 0.993 1.00 0.59 H new ATOM 929 N ASN A 59 16.051 24.734 2.962 1.00 0.39 N ATOM 930 CA ASN A 59 16.860 24.610 1.705 1.00 0.45 C ATOM 931 C ASN A 59 18.030 23.629 1.906 1.00 0.53 C ATOM 932 O ASN A 59 18.289 22.792 1.077 1.00 0.68 O ATOM 933 CB ASN A 59 17.286 26.054 1.379 1.00 0.43 C ATOM 934 CG ASN A 59 18.165 26.208 0.165 1.00 1.04 C ATOM 935 OD1 ASN A 59 18.197 25.395 -0.736 1.00 1.13 O ATOM 936 ND2 ASN A 59 18.895 27.282 0.111 1.00 1.87 N ATOM 0 H ASN A 59 15.726 25.682 3.154 1.00 0.39 H new ATOM 0 HA ASN A 59 16.309 24.185 0.866 1.00 0.45 H new ATOM 0 HB2 ASN A 59 16.389 26.656 1.236 1.00 0.43 H new ATOM 0 HB3 ASN A 59 17.811 26.464 2.242 1.00 0.43 H new ATOM 0 HD21 ASN A 59 19.501 27.447 -0.693 1.00 1.87 H new ATOM 0 HD22 ASN A 59 18.862 27.960 0.872 1.00 1.87 H new ATOM 943 N GLU A 60 18.687 23.774 3.013 1.00 0.47 N ATOM 944 CA GLU A 60 19.841 22.913 3.397 1.00 0.63 C ATOM 945 C GLU A 60 19.600 21.372 3.099 1.00 0.75 C ATOM 946 O GLU A 60 20.519 20.618 2.850 1.00 0.79 O ATOM 947 CB GLU A 60 20.072 23.194 4.892 1.00 0.63 C ATOM 948 CG GLU A 60 21.412 22.537 5.334 1.00 0.67 C ATOM 949 CD GLU A 60 21.702 22.632 6.839 1.00 0.92 C ATOM 950 OE1 GLU A 60 20.927 23.258 7.541 1.00 0.55 O ATOM 951 OE2 GLU A 60 22.713 22.053 7.195 1.00 1.84 O ATOM 0 H GLU A 60 18.463 24.489 3.705 1.00 0.47 H new ATOM 0 HA GLU A 60 20.721 23.151 2.800 1.00 0.63 H new ATOM 0 HB2 GLU A 60 20.103 24.269 5.072 1.00 0.63 H new ATOM 0 HB3 GLU A 60 19.246 22.796 5.481 1.00 0.63 H new ATOM 0 HG2 GLU A 60 21.399 21.486 5.045 1.00 0.67 H new ATOM 0 HG3 GLU A 60 22.230 23.008 4.789 1.00 0.67 H new ATOM 958 N LEU A 61 18.352 20.983 3.137 1.00 0.77 N ATOM 959 CA LEU A 61 17.851 19.593 2.902 1.00 0.87 C ATOM 960 C LEU A 61 17.286 19.343 1.484 1.00 0.90 C ATOM 961 O LEU A 61 16.901 18.242 1.157 1.00 1.08 O ATOM 962 CB LEU A 61 16.756 19.333 3.944 1.00 0.78 C ATOM 963 CG LEU A 61 17.241 19.668 5.372 1.00 0.71 C ATOM 964 CD1 LEU A 61 16.026 19.598 6.286 1.00 0.51 C ATOM 965 CD2 LEU A 61 18.294 18.636 5.848 1.00 1.05 C ATOM 0 H LEU A 61 17.595 21.636 3.340 1.00 0.77 H new ATOM 0 HA LEU A 61 18.698 18.913 2.993 1.00 0.87 H new ATOM 0 HB2 LEU A 61 15.877 19.933 3.707 1.00 0.78 H new ATOM 0 HB3 LEU A 61 16.450 18.288 3.899 1.00 0.78 H new ATOM 0 HG LEU A 61 17.701 20.656 5.390 1.00 0.71 H new ATOM 0 HD11 LEU A 61 16.326 19.829 7.308 1.00 0.51 H new ATOM 0 HD12 LEU A 61 15.280 20.320 5.955 1.00 0.51 H new ATOM 0 HD13 LEU A 61 15.601 18.595 6.250 1.00 0.51 H new ATOM 0 HD21 LEU A 61 18.623 18.890 6.856 1.00 1.05 H new ATOM 0 HD22 LEU A 61 17.852 17.640 5.851 1.00 1.05 H new ATOM 0 HD23 LEU A 61 19.150 18.651 5.173 1.00 1.05 H new ATOM 977 N LYS A 62 17.247 20.352 0.658 1.00 0.78 N ATOM 978 CA LYS A 62 16.719 20.294 -0.731 1.00 0.77 C ATOM 979 C LYS A 62 16.691 19.004 -1.488 1.00 0.88 C ATOM 980 O LYS A 62 15.695 18.741 -2.108 1.00 0.91 O ATOM 981 CB LYS A 62 17.472 21.453 -1.506 1.00 0.57 C ATOM 982 CG LYS A 62 16.946 21.647 -2.958 1.00 0.55 C ATOM 983 CD LYS A 62 17.726 22.880 -3.560 1.00 2.30 C ATOM 984 CE LYS A 62 17.050 23.418 -4.829 1.00 3.71 C ATOM 985 NZ LYS A 62 17.258 22.454 -5.955 1.00 3.04 N ATOM 0 H LYS A 62 17.586 21.279 0.915 1.00 0.78 H new ATOM 0 HA LYS A 62 15.639 20.416 -0.650 1.00 0.77 H new ATOM 0 HB2 LYS A 62 17.358 22.387 -0.955 1.00 0.57 H new ATOM 0 HB3 LYS A 62 18.538 21.230 -1.537 1.00 0.57 H new ATOM 0 HG2 LYS A 62 17.117 20.751 -3.555 1.00 0.55 H new ATOM 0 HG3 LYS A 62 15.872 21.830 -2.959 1.00 0.55 H new ATOM 0 HD2 LYS A 62 17.783 23.673 -2.814 1.00 2.30 H new ATOM 0 HD3 LYS A 62 18.750 22.585 -3.791 1.00 2.30 H new ATOM 0 HE2 LYS A 62 15.984 23.562 -4.652 1.00 3.71 H new ATOM 0 HE3 LYS A 62 17.465 24.392 -5.089 1.00 3.71 H new ATOM 0 HZ1 LYS A 62 16.800 22.819 -6.814 1.00 3.04 H new ATOM 0 HZ2 LYS A 62 18.277 22.338 -6.129 1.00 3.04 H new ATOM 0 HZ3 LYS A 62 16.842 21.534 -5.706 1.00 3.04 H new ATOM 999 N GLY A 63 17.701 18.216 -1.470 1.00 0.93 N ATOM 1000 CA GLY A 63 17.687 16.901 -2.221 1.00 0.96 C ATOM 1001 C GLY A 63 17.862 15.690 -1.280 1.00 0.70 C ATOM 1002 O GLY A 63 17.964 14.566 -1.722 1.00 0.89 O ATOM 0 H GLY A 63 18.566 18.406 -0.965 1.00 0.93 H new ATOM 0 HA2 GLY A 63 16.747 16.804 -2.763 1.00 0.96 H new ATOM 0 HA3 GLY A 63 18.485 16.900 -2.964 1.00 0.96 H new ATOM 1006 N THR A 64 17.907 15.977 -0.008 1.00 0.38 N ATOM 1007 CA THR A 64 18.062 14.967 1.089 1.00 0.26 C ATOM 1008 C THR A 64 17.080 13.797 0.928 1.00 0.32 C ATOM 1009 O THR A 64 16.183 13.837 0.097 1.00 0.44 O ATOM 1010 CB THR A 64 17.820 15.726 2.396 1.00 0.54 C ATOM 1011 OG1 THR A 64 18.845 16.701 2.407 1.00 0.96 O ATOM 1012 CG2 THR A 64 18.048 14.920 3.676 1.00 0.88 C ATOM 0 H THR A 64 17.838 16.934 0.339 1.00 0.38 H new ATOM 0 HA THR A 64 19.055 14.518 1.070 1.00 0.26 H new ATOM 0 HB THR A 64 16.783 16.061 2.405 1.00 0.54 H new ATOM 0 HG1 THR A 64 19.199 16.793 3.316 1.00 0.96 H new ATOM 0 HG21 THR A 64 17.849 15.550 4.543 1.00 0.88 H new ATOM 0 HG22 THR A 64 17.376 14.062 3.690 1.00 0.88 H new ATOM 0 HG23 THR A 64 19.081 14.573 3.708 1.00 0.88 H new ATOM 1020 N SER A 65 17.218 12.770 1.724 1.00 0.48 N ATOM 1021 CA SER A 65 16.252 11.642 1.560 1.00 0.57 C ATOM 1022 C SER A 65 15.075 12.174 2.401 1.00 0.38 C ATOM 1023 O SER A 65 15.237 13.131 3.133 1.00 1.39 O ATOM 1024 CB SER A 65 16.889 10.349 2.140 1.00 0.93 C ATOM 1025 OG SER A 65 17.770 9.854 1.130 1.00 1.11 O ATOM 0 H SER A 65 17.925 12.662 2.451 1.00 0.48 H new ATOM 0 HA SER A 65 15.962 11.377 0.543 1.00 0.57 H new ATOM 0 HB2 SER A 65 17.432 10.561 3.061 1.00 0.93 H new ATOM 0 HB3 SER A 65 16.123 9.613 2.384 1.00 0.93 H new ATOM 0 HG SER A 65 18.203 9.034 1.447 1.00 1.11 H new ATOM 1031 N LYS A 66 13.917 11.592 2.334 1.00 0.86 N ATOM 1032 CA LYS A 66 12.775 12.143 3.151 1.00 0.44 C ATOM 1033 C LYS A 66 12.587 11.361 4.447 1.00 0.44 C ATOM 1034 O LYS A 66 12.155 11.884 5.461 1.00 0.53 O ATOM 1035 CB LYS A 66 11.595 12.135 2.149 1.00 0.43 C ATOM 1036 CG LYS A 66 11.979 13.309 1.169 1.00 2.72 C ATOM 1037 CD LYS A 66 11.300 13.179 -0.189 1.00 3.46 C ATOM 1038 CE LYS A 66 11.483 14.491 -1.000 1.00 4.02 C ATOM 1039 NZ LYS A 66 12.911 14.766 -1.412 1.00 5.21 N ATOM 0 H LYS A 66 13.700 10.774 1.765 1.00 0.86 H new ATOM 0 HA LYS A 66 12.922 13.151 3.538 1.00 0.44 H new ATOM 0 HB2 LYS A 66 11.510 11.181 1.628 1.00 0.43 H new ATOM 0 HB3 LYS A 66 10.640 12.314 2.644 1.00 0.43 H new ATOM 0 HG2 LYS A 66 11.701 14.261 1.621 1.00 2.72 H new ATOM 0 HG3 LYS A 66 13.060 13.325 1.031 1.00 2.72 H new ATOM 0 HD2 LYS A 66 11.725 12.339 -0.739 1.00 3.46 H new ATOM 0 HD3 LYS A 66 10.239 12.969 -0.056 1.00 3.46 H new ATOM 0 HE2 LYS A 66 10.861 14.443 -1.894 1.00 4.02 H new ATOM 0 HE3 LYS A 66 11.120 15.328 -0.404 1.00 4.02 H new ATOM 0 HZ1 LYS A 66 13.321 15.485 -0.783 1.00 5.21 H new ATOM 0 HZ2 LYS A 66 13.467 13.889 -1.345 1.00 5.21 H new ATOM 0 HZ3 LYS A 66 12.929 15.113 -2.392 1.00 5.21 H new ATOM 1053 N GLU A 67 12.955 10.114 4.345 1.00 0.57 N ATOM 1054 CA GLU A 67 12.870 9.171 5.486 1.00 0.77 C ATOM 1055 C GLU A 67 13.894 9.633 6.515 1.00 0.65 C ATOM 1056 O GLU A 67 13.608 9.679 7.691 1.00 0.60 O ATOM 1057 CB GLU A 67 13.176 7.745 4.954 1.00 1.18 C ATOM 1058 CG GLU A 67 11.833 7.023 4.596 1.00 2.00 C ATOM 1059 CD GLU A 67 10.924 6.956 5.831 1.00 4.26 C ATOM 1060 OE1 GLU A 67 11.238 6.201 6.733 1.00 5.35 O ATOM 1061 OE2 GLU A 67 9.953 7.688 5.802 1.00 5.73 O ATOM 0 H GLU A 67 13.322 9.701 3.488 1.00 0.57 H new ATOM 0 HA GLU A 67 11.884 9.149 5.951 1.00 0.77 H new ATOM 0 HB2 GLU A 67 13.816 7.803 4.074 1.00 1.18 H new ATOM 0 HB3 GLU A 67 13.720 7.173 5.706 1.00 1.18 H new ATOM 0 HG2 GLU A 67 11.327 7.557 3.791 1.00 2.00 H new ATOM 0 HG3 GLU A 67 12.038 6.017 4.231 1.00 2.00 H new ATOM 1068 N ASP A 68 15.061 9.987 6.059 1.00 0.64 N ATOM 1069 CA ASP A 68 16.126 10.455 6.962 1.00 0.50 C ATOM 1070 C ASP A 68 15.601 11.577 7.832 1.00 0.55 C ATOM 1071 O ASP A 68 15.719 11.562 9.037 1.00 0.59 O ATOM 1072 CB ASP A 68 17.241 10.909 6.070 1.00 0.48 C ATOM 1073 CG ASP A 68 17.867 9.740 5.346 1.00 0.85 C ATOM 1074 OD1 ASP A 68 17.121 9.018 4.713 1.00 1.18 O ATOM 1075 OD2 ASP A 68 19.069 9.654 5.464 1.00 1.64 O ATOM 0 H ASP A 68 15.319 9.968 5.072 1.00 0.64 H new ATOM 0 HA ASP A 68 16.475 9.677 7.641 1.00 0.50 H new ATOM 0 HB2 ASP A 68 16.861 11.629 5.345 1.00 0.48 H new ATOM 0 HB3 ASP A 68 17.999 11.422 6.662 1.00 0.48 H new ATOM 1080 N ALA A 69 15.018 12.518 7.144 1.00 0.55 N ATOM 1081 CA ALA A 69 14.443 13.714 7.819 1.00 0.56 C ATOM 1082 C ALA A 69 13.386 13.199 8.771 1.00 0.43 C ATOM 1083 O ALA A 69 13.489 13.455 9.950 1.00 0.59 O ATOM 1084 CB ALA A 69 13.834 14.646 6.765 1.00 0.57 C ATOM 0 H ALA A 69 14.914 12.509 6.129 1.00 0.55 H new ATOM 0 HA ALA A 69 15.197 14.283 8.363 1.00 0.56 H new ATOM 0 HB1 ALA A 69 13.412 15.523 7.255 1.00 0.57 H new ATOM 0 HB2 ALA A 69 14.609 14.959 6.065 1.00 0.57 H new ATOM 0 HB3 ALA A 69 13.048 14.119 6.224 1.00 0.57 H new ATOM 1090 N MET A 70 12.407 12.496 8.258 1.00 0.34 N ATOM 1091 CA MET A 70 11.346 11.952 9.132 1.00 0.45 C ATOM 1092 C MET A 70 11.940 11.388 10.426 1.00 0.54 C ATOM 1093 O MET A 70 11.618 11.793 11.524 1.00 0.53 O ATOM 1094 CB MET A 70 10.625 10.882 8.324 1.00 0.62 C ATOM 1095 CG MET A 70 9.551 11.517 7.417 1.00 0.70 C ATOM 1096 SD MET A 70 8.016 10.578 7.193 1.00 1.70 S ATOM 1097 CE MET A 70 8.025 10.365 5.396 1.00 1.06 C ATOM 0 H MET A 70 12.305 12.280 7.266 1.00 0.34 H new ATOM 0 HA MET A 70 10.647 12.730 9.438 1.00 0.45 H new ATOM 0 HB2 MET A 70 11.343 10.332 7.716 1.00 0.62 H new ATOM 0 HB3 MET A 70 10.160 10.162 8.997 1.00 0.62 H new ATOM 0 HG2 MET A 70 9.295 12.495 7.825 1.00 0.70 H new ATOM 0 HG3 MET A 70 9.992 11.687 6.435 1.00 0.70 H new ATOM 0 HE1 MET A 70 7.223 9.686 5.106 1.00 1.06 H new ATOM 0 HE2 MET A 70 7.875 11.331 4.914 1.00 1.06 H new ATOM 0 HE3 MET A 70 8.983 9.949 5.084 1.00 1.06 H new ATOM 1107 N LYS A 71 12.826 10.456 10.223 1.00 0.60 N ATOM 1108 CA LYS A 71 13.529 9.769 11.322 1.00 0.66 C ATOM 1109 C LYS A 71 14.308 10.702 12.258 1.00 0.50 C ATOM 1110 O LYS A 71 14.030 10.786 13.440 1.00 0.47 O ATOM 1111 CB LYS A 71 14.488 8.753 10.706 1.00 0.90 C ATOM 1112 CG LYS A 71 14.317 7.476 11.505 1.00 1.97 C ATOM 1113 CD LYS A 71 14.687 7.713 13.024 1.00 3.98 C ATOM 1114 CE LYS A 71 14.364 6.511 13.897 1.00 6.19 C ATOM 1115 NZ LYS A 71 12.870 6.367 14.007 1.00 7.34 N ATOM 0 H LYS A 71 13.098 10.134 9.294 1.00 0.60 H new ATOM 0 HA LYS A 71 12.768 9.297 11.944 1.00 0.66 H new ATOM 0 HB2 LYS A 71 14.258 8.588 9.653 1.00 0.90 H new ATOM 0 HB3 LYS A 71 15.517 9.109 10.755 1.00 0.90 H new ATOM 0 HG2 LYS A 71 13.287 7.127 11.427 1.00 1.97 H new ATOM 0 HG3 LYS A 71 14.951 6.693 11.089 1.00 1.97 H new ATOM 0 HD2 LYS A 71 15.750 7.941 13.104 1.00 3.98 H new ATOM 0 HD3 LYS A 71 14.145 8.583 13.395 1.00 3.98 H new ATOM 0 HE2 LYS A 71 14.798 5.608 13.468 1.00 6.19 H new ATOM 0 HE3 LYS A 71 14.803 6.637 14.887 1.00 6.19 H new ATOM 0 HZ1 LYS A 71 12.641 5.683 14.756 1.00 7.34 H new ATOM 0 HZ2 LYS A 71 12.449 7.289 14.240 1.00 7.34 H new ATOM 0 HZ3 LYS A 71 12.486 6.030 13.101 1.00 7.34 H new ATOM 1129 N ALA A 72 15.269 11.388 11.707 1.00 0.52 N ATOM 1130 CA ALA A 72 16.103 12.327 12.486 1.00 0.62 C ATOM 1131 C ALA A 72 15.165 13.234 13.262 1.00 0.48 C ATOM 1132 O ALA A 72 15.343 13.446 14.437 1.00 0.45 O ATOM 1133 CB ALA A 72 16.968 13.101 11.486 1.00 0.79 C ATOM 0 H ALA A 72 15.513 11.330 10.718 1.00 0.52 H new ATOM 0 HA ALA A 72 16.761 11.829 13.198 1.00 0.62 H new ATOM 0 HB1 ALA A 72 17.601 13.808 12.023 1.00 0.79 H new ATOM 0 HB2 ALA A 72 17.594 12.403 10.930 1.00 0.79 H new ATOM 0 HB3 ALA A 72 16.325 13.644 10.793 1.00 0.79 H new ATOM 1139 N TYR A 73 14.165 13.714 12.576 1.00 0.45 N ATOM 1140 CA TYR A 73 13.156 14.622 13.191 1.00 0.43 C ATOM 1141 C TYR A 73 12.604 13.905 14.426 1.00 0.42 C ATOM 1142 O TYR A 73 12.743 14.409 15.520 1.00 0.53 O ATOM 1143 CB TYR A 73 12.097 14.870 12.114 1.00 0.44 C ATOM 1144 CG TYR A 73 10.979 15.823 12.517 1.00 0.49 C ATOM 1145 CD1 TYR A 73 10.011 15.493 13.445 1.00 0.85 C ATOM 1146 CD2 TYR A 73 10.929 17.050 11.910 1.00 0.24 C ATOM 1147 CE1 TYR A 73 9.009 16.389 13.745 1.00 0.87 C ATOM 1148 CE2 TYR A 73 9.929 17.931 12.217 1.00 0.29 C ATOM 1149 CZ TYR A 73 8.969 17.611 13.128 1.00 0.55 C ATOM 1150 OH TYR A 73 7.963 18.507 13.405 1.00 0.59 O ATOM 0 H TYR A 73 14.001 13.509 11.590 1.00 0.45 H new ATOM 0 HA TYR A 73 13.551 15.585 13.517 1.00 0.43 H new ATOM 0 HB2 TYR A 73 12.589 15.267 11.226 1.00 0.44 H new ATOM 0 HB3 TYR A 73 11.655 13.914 11.833 1.00 0.44 H new ATOM 0 HD1 TYR A 73 10.040 14.531 13.936 1.00 0.85 H new ATOM 0 HD2 TYR A 73 11.682 17.323 11.186 1.00 0.24 H new ATOM 0 HE1 TYR A 73 8.252 16.127 14.469 1.00 0.87 H new ATOM 0 HE2 TYR A 73 9.900 18.894 11.730 1.00 0.29 H new ATOM 0 HH TYR A 73 7.671 18.938 12.575 1.00 0.59 H new ATOM 1160 N ILE A 74 12.018 12.758 14.203 1.00 0.40 N ATOM 1161 CA ILE A 74 11.450 11.987 15.354 1.00 0.54 C ATOM 1162 C ILE A 74 12.436 11.941 16.516 1.00 0.47 C ATOM 1163 O ILE A 74 12.114 12.399 17.588 1.00 0.52 O ATOM 1164 CB ILE A 74 11.132 10.532 14.975 1.00 0.80 C ATOM 1165 CG1 ILE A 74 10.055 10.523 13.888 1.00 0.66 C ATOM 1166 CG2 ILE A 74 10.532 9.842 16.252 1.00 1.25 C ATOM 1167 CD1 ILE A 74 10.070 9.169 13.194 1.00 0.79 C ATOM 0 H ILE A 74 11.908 12.324 13.287 1.00 0.40 H new ATOM 0 HA ILE A 74 10.533 12.504 15.637 1.00 0.54 H new ATOM 0 HB ILE A 74 12.027 10.021 14.619 1.00 0.80 H new ATOM 0 HG12 ILE A 74 9.075 10.712 14.326 1.00 0.66 H new ATOM 0 HG13 ILE A 74 10.240 11.319 13.167 1.00 0.66 H new ATOM 0 HG21 ILE A 74 10.291 8.803 16.025 1.00 1.25 H new ATOM 0 HG22 ILE A 74 11.261 9.877 17.061 1.00 1.25 H new ATOM 0 HG23 ILE A 74 9.626 10.366 16.557 1.00 1.25 H new ATOM 0 HD11 ILE A 74 9.306 9.150 12.417 1.00 0.79 H new ATOM 0 HD12 ILE A 74 11.049 9.001 12.745 1.00 0.79 H new ATOM 0 HD13 ILE A 74 9.866 8.384 13.923 1.00 0.79 H new ATOM 1179 N ASP A 75 13.606 11.428 16.271 1.00 0.45 N ATOM 1180 CA ASP A 75 14.629 11.320 17.329 1.00 0.48 C ATOM 1181 C ASP A 75 14.836 12.705 17.987 1.00 0.38 C ATOM 1182 O ASP A 75 14.791 12.868 19.190 1.00 0.43 O ATOM 1183 CB ASP A 75 15.856 10.757 16.600 1.00 0.61 C ATOM 1184 CG ASP A 75 15.651 9.342 16.058 1.00 0.69 C ATOM 1185 OD1 ASP A 75 14.517 8.928 15.887 1.00 2.10 O ATOM 1186 OD2 ASP A 75 16.689 8.745 15.830 1.00 0.78 O ATOM 0 H ASP A 75 13.897 11.073 15.360 1.00 0.45 H new ATOM 0 HA ASP A 75 14.368 10.667 18.162 1.00 0.48 H new ATOM 0 HB2 ASP A 75 16.113 11.420 15.774 1.00 0.61 H new ATOM 0 HB3 ASP A 75 16.705 10.756 17.283 1.00 0.61 H new ATOM 1191 N LYS A 76 15.039 13.693 17.153 1.00 0.32 N ATOM 1192 CA LYS A 76 15.257 15.090 17.635 1.00 0.29 C ATOM 1193 C LYS A 76 14.050 15.512 18.499 1.00 0.32 C ATOM 1194 O LYS A 76 14.216 16.204 19.482 1.00 0.32 O ATOM 1195 CB LYS A 76 15.431 16.007 16.381 1.00 0.27 C ATOM 1196 CG LYS A 76 16.747 16.864 16.466 1.00 0.22 C ATOM 1197 CD LYS A 76 16.604 18.007 17.520 1.00 0.10 C ATOM 1198 CE LYS A 76 17.838 18.934 17.577 1.00 0.20 C ATOM 1199 NZ LYS A 76 17.878 19.829 16.365 1.00 0.21 N ATOM 0 H LYS A 76 15.063 13.588 16.139 1.00 0.32 H new ATOM 0 HA LYS A 76 16.151 15.172 18.253 1.00 0.29 H new ATOM 0 HB2 LYS A 76 15.454 15.392 15.481 1.00 0.27 H new ATOM 0 HB3 LYS A 76 14.570 16.670 16.292 1.00 0.27 H new ATOM 0 HG2 LYS A 76 17.587 16.222 16.732 1.00 0.22 H new ATOM 0 HG3 LYS A 76 16.970 17.292 15.489 1.00 0.22 H new ATOM 0 HD2 LYS A 76 15.721 18.601 17.286 1.00 0.10 H new ATOM 0 HD3 LYS A 76 16.441 17.568 18.504 1.00 0.10 H new ATOM 0 HE2 LYS A 76 17.805 19.539 18.483 1.00 0.20 H new ATOM 0 HE3 LYS A 76 18.748 18.336 17.626 1.00 0.20 H new ATOM 0 HZ1 LYS A 76 18.863 19.945 16.052 1.00 0.21 H new ATOM 0 HZ2 LYS A 76 17.319 19.402 15.599 1.00 0.21 H new ATOM 0 HZ3 LYS A 76 17.480 20.759 16.607 1.00 0.21 H new ATOM 1213 N VAL A 77 12.864 15.100 18.133 1.00 0.50 N ATOM 1214 CA VAL A 77 11.662 15.484 18.949 1.00 0.57 C ATOM 1215 C VAL A 77 11.690 14.661 20.252 1.00 0.61 C ATOM 1216 O VAL A 77 11.489 15.184 21.333 1.00 0.71 O ATOM 1217 CB VAL A 77 10.391 15.199 18.125 1.00 0.61 C ATOM 1218 CG1 VAL A 77 9.176 15.520 18.995 1.00 0.67 C ATOM 1219 CG2 VAL A 77 10.343 16.170 16.938 1.00 0.61 C ATOM 0 H VAL A 77 12.672 14.521 17.315 1.00 0.50 H new ATOM 0 HA VAL A 77 11.669 16.544 19.202 1.00 0.57 H new ATOM 0 HB VAL A 77 10.393 14.161 17.792 1.00 0.61 H new ATOM 0 HG11 VAL A 77 8.263 15.325 18.432 1.00 0.67 H new ATOM 0 HG12 VAL A 77 9.192 14.894 19.887 1.00 0.67 H new ATOM 0 HG13 VAL A 77 9.205 16.570 19.287 1.00 0.67 H new ATOM 0 HG21 VAL A 77 9.448 15.978 16.347 1.00 0.61 H new ATOM 0 HG22 VAL A 77 10.321 17.195 17.307 1.00 0.61 H new ATOM 0 HG23 VAL A 77 11.226 16.027 16.315 1.00 0.61 H new ATOM 1229 N GLU A 78 11.925 13.384 20.120 1.00 0.55 N ATOM 1230 CA GLU A 78 12.009 12.435 21.287 1.00 0.56 C ATOM 1231 C GLU A 78 12.947 13.205 22.255 1.00 0.48 C ATOM 1232 O GLU A 78 12.654 13.383 23.428 1.00 0.48 O ATOM 1233 CB GLU A 78 12.588 11.104 20.710 1.00 0.44 C ATOM 1234 CG GLU A 78 12.234 9.824 21.555 1.00 0.70 C ATOM 1235 CD GLU A 78 12.787 9.815 22.972 1.00 1.65 C ATOM 1236 OE1 GLU A 78 12.319 10.618 23.760 1.00 3.78 O ATOM 1237 OE2 GLU A 78 13.648 9.012 23.283 1.00 1.18 O ATOM 0 H GLU A 78 12.069 12.934 19.216 1.00 0.55 H new ATOM 0 HA GLU A 78 11.091 12.161 21.807 1.00 0.56 H new ATOM 0 HB2 GLU A 78 12.215 10.969 19.695 1.00 0.44 H new ATOM 0 HB3 GLU A 78 13.672 11.192 20.643 1.00 0.44 H new ATOM 0 HG2 GLU A 78 11.149 9.728 21.604 1.00 0.70 H new ATOM 0 HG3 GLU A 78 12.608 8.945 21.030 1.00 0.70 H new ATOM 1244 N GLU A 79 14.041 13.691 21.711 1.00 0.40 N ATOM 1245 CA GLU A 79 15.027 14.463 22.528 1.00 0.31 C ATOM 1246 C GLU A 79 14.276 15.676 23.113 1.00 0.31 C ATOM 1247 O GLU A 79 14.288 15.902 24.308 1.00 0.52 O ATOM 1248 CB GLU A 79 16.202 14.917 21.600 1.00 0.21 C ATOM 1249 CG GLU A 79 17.184 13.739 21.290 1.00 0.50 C ATOM 1250 CD GLU A 79 18.013 13.455 22.547 1.00 2.57 C ATOM 1251 OE1 GLU A 79 17.421 12.973 23.502 1.00 3.93 O ATOM 1252 OE2 GLU A 79 19.194 13.752 22.472 1.00 3.35 O ATOM 0 H GLU A 79 14.292 13.583 20.728 1.00 0.40 H new ATOM 0 HA GLU A 79 15.448 13.866 23.337 1.00 0.31 H new ATOM 0 HB2 GLU A 79 15.798 15.309 20.667 1.00 0.21 H new ATOM 0 HB3 GLU A 79 16.749 15.730 22.077 1.00 0.21 H new ATOM 0 HG2 GLU A 79 16.628 12.850 20.994 1.00 0.50 H new ATOM 0 HG3 GLU A 79 17.836 13.999 20.456 1.00 0.50 H new ATOM 1259 N LEU A 80 13.642 16.465 22.277 1.00 0.20 N ATOM 1260 CA LEU A 80 12.882 17.651 22.818 1.00 0.22 C ATOM 1261 C LEU A 80 12.047 17.294 24.015 1.00 0.34 C ATOM 1262 O LEU A 80 12.093 17.971 25.012 1.00 0.36 O ATOM 1263 CB LEU A 80 11.913 18.258 21.790 1.00 0.29 C ATOM 1264 CG LEU A 80 12.607 18.744 20.519 1.00 0.22 C ATOM 1265 CD1 LEU A 80 11.564 19.516 19.739 1.00 0.33 C ATOM 1266 CD2 LEU A 80 13.761 19.677 20.797 1.00 0.35 C ATOM 0 H LEU A 80 13.614 16.348 21.264 1.00 0.20 H new ATOM 0 HA LEU A 80 13.660 18.368 23.081 1.00 0.22 H new ATOM 0 HB2 LEU A 80 11.163 17.513 21.524 1.00 0.29 H new ATOM 0 HB3 LEU A 80 11.384 19.093 22.249 1.00 0.29 H new ATOM 0 HG LEU A 80 13.010 17.883 19.986 1.00 0.22 H new ATOM 0 HD11 LEU A 80 12.004 19.890 18.815 1.00 0.33 H new ATOM 0 HD12 LEU A 80 10.727 18.859 19.502 1.00 0.33 H new ATOM 0 HD13 LEU A 80 11.209 20.355 20.338 1.00 0.33 H new ATOM 0 HD21 LEU A 80 14.213 19.987 19.855 1.00 0.35 H new ATOM 0 HD22 LEU A 80 13.399 20.555 21.332 1.00 0.35 H new ATOM 0 HD23 LEU A 80 14.506 19.163 21.405 1.00 0.35 H new ATOM 1278 N LYS A 81 11.289 16.259 23.918 1.00 0.49 N ATOM 1279 CA LYS A 81 10.448 15.868 25.087 1.00 0.67 C ATOM 1280 C LYS A 81 11.364 15.492 26.245 1.00 0.67 C ATOM 1281 O LYS A 81 11.055 15.815 27.367 1.00 0.77 O ATOM 1282 CB LYS A 81 9.553 14.768 24.530 1.00 0.76 C ATOM 1283 CG LYS A 81 8.673 14.036 25.572 1.00 0.83 C ATOM 1284 CD LYS A 81 7.497 13.337 24.800 1.00 0.84 C ATOM 1285 CE LYS A 81 7.987 12.285 23.775 1.00 0.86 C ATOM 1286 NZ LYS A 81 6.818 11.914 22.913 1.00 0.73 N ATOM 0 H LYS A 81 11.206 15.663 23.094 1.00 0.49 H new ATOM 0 HA LYS A 81 9.814 16.645 25.514 1.00 0.67 H new ATOM 0 HB2 LYS A 81 8.902 15.202 23.771 1.00 0.76 H new ATOM 0 HB3 LYS A 81 10.181 14.032 24.028 1.00 0.76 H new ATOM 0 HG2 LYS A 81 9.262 13.300 26.120 1.00 0.83 H new ATOM 0 HG3 LYS A 81 8.283 14.741 26.306 1.00 0.83 H new ATOM 0 HD2 LYS A 81 6.834 12.855 25.518 1.00 0.84 H new ATOM 0 HD3 LYS A 81 6.909 14.094 24.282 1.00 0.84 H new ATOM 0 HE2 LYS A 81 8.797 12.690 23.168 1.00 0.86 H new ATOM 0 HE3 LYS A 81 8.380 11.406 24.286 1.00 0.86 H new ATOM 0 HZ1 LYS A 81 7.157 11.428 22.058 1.00 0.73 H new ATOM 0 HZ2 LYS A 81 6.184 11.282 23.442 1.00 0.73 H new ATOM 0 HZ3 LYS A 81 6.301 12.774 22.640 1.00 0.73 H new ATOM 1300 N LYS A 82 12.460 14.832 26.006 1.00 0.64 N ATOM 1301 CA LYS A 82 13.342 14.504 27.178 1.00 0.71 C ATOM 1302 C LYS A 82 13.792 15.859 27.809 1.00 0.70 C ATOM 1303 O LYS A 82 13.679 16.093 28.994 1.00 0.81 O ATOM 1304 CB LYS A 82 14.535 13.687 26.643 1.00 0.64 C ATOM 1305 CG LYS A 82 14.028 12.325 26.135 1.00 0.59 C ATOM 1306 CD LYS A 82 13.816 11.390 27.369 1.00 2.29 C ATOM 1307 CE LYS A 82 13.058 10.112 27.006 1.00 1.50 C ATOM 1308 NZ LYS A 82 13.723 9.505 25.821 1.00 2.39 N ATOM 0 H LYS A 82 12.782 14.512 25.092 1.00 0.64 H new ATOM 0 HA LYS A 82 12.838 13.914 27.944 1.00 0.71 H new ATOM 0 HB2 LYS A 82 15.030 14.228 25.836 1.00 0.64 H new ATOM 0 HB3 LYS A 82 15.275 13.543 27.430 1.00 0.64 H new ATOM 0 HG2 LYS A 82 13.094 12.448 25.587 1.00 0.59 H new ATOM 0 HG3 LYS A 82 14.748 11.885 25.444 1.00 0.59 H new ATOM 0 HD2 LYS A 82 14.785 11.127 27.793 1.00 2.29 H new ATOM 0 HD3 LYS A 82 13.266 11.929 28.140 1.00 2.29 H new ATOM 0 HE2 LYS A 82 13.062 9.415 27.844 1.00 1.50 H new ATOM 0 HE3 LYS A 82 12.015 10.337 26.784 1.00 1.50 H new ATOM 0 HZ1 LYS A 82 13.387 8.529 25.696 1.00 2.39 H new ATOM 0 HZ2 LYS A 82 13.495 10.061 24.972 1.00 2.39 H new ATOM 0 HZ3 LYS A 82 14.753 9.500 25.965 1.00 2.39 H new ATOM 1322 N LYS A 83 14.292 16.711 26.958 1.00 0.59 N ATOM 1323 CA LYS A 83 14.803 18.095 27.269 1.00 0.57 C ATOM 1324 C LYS A 83 13.848 19.050 27.991 1.00 0.60 C ATOM 1325 O LYS A 83 14.129 19.605 29.031 1.00 0.70 O ATOM 1326 CB LYS A 83 15.217 18.673 25.931 1.00 0.49 C ATOM 1327 CG LYS A 83 15.730 20.127 26.011 1.00 0.50 C ATOM 1328 CD LYS A 83 16.499 20.396 24.692 1.00 0.66 C ATOM 1329 CE LYS A 83 16.992 21.850 24.578 1.00 0.52 C ATOM 1330 NZ LYS A 83 17.803 22.184 25.798 1.00 2.93 N ATOM 0 H LYS A 83 14.376 16.485 25.967 1.00 0.59 H new ATOM 0 HA LYS A 83 15.611 17.993 27.993 1.00 0.57 H new ATOM 0 HB2 LYS A 83 15.998 18.046 25.501 1.00 0.49 H new ATOM 0 HB3 LYS A 83 14.366 18.635 25.251 1.00 0.49 H new ATOM 0 HG2 LYS A 83 14.901 20.825 26.126 1.00 0.50 H new ATOM 0 HG3 LYS A 83 16.382 20.261 26.874 1.00 0.50 H new ATOM 0 HD2 LYS A 83 17.353 19.721 24.630 1.00 0.66 H new ATOM 0 HD3 LYS A 83 15.851 20.169 23.846 1.00 0.66 H new ATOM 0 HE2 LYS A 83 17.595 21.975 23.678 1.00 0.52 H new ATOM 0 HE3 LYS A 83 16.145 22.530 24.490 1.00 0.52 H new ATOM 0 HZ1 LYS A 83 18.320 23.072 25.639 1.00 2.93 H new ATOM 0 HZ2 LYS A 83 17.170 22.294 26.616 1.00 2.93 H new ATOM 0 HZ3 LYS A 83 18.481 21.417 25.985 1.00 2.93 H new ATOM 1344 N TYR A 84 12.746 19.187 27.333 1.00 0.53 N ATOM 1345 CA TYR A 84 11.606 20.058 27.777 1.00 0.51 C ATOM 1346 C TYR A 84 10.605 19.351 28.708 1.00 0.63 C ATOM 1347 O TYR A 84 9.912 20.027 29.446 1.00 1.42 O ATOM 1348 CB TYR A 84 10.828 20.579 26.537 1.00 0.67 C ATOM 1349 CG TYR A 84 11.538 21.768 25.864 1.00 0.80 C ATOM 1350 CD1 TYR A 84 11.455 23.018 26.444 1.00 0.90 C ATOM 1351 CD2 TYR A 84 12.239 21.627 24.683 1.00 1.30 C ATOM 1352 CE1 TYR A 84 12.056 24.114 25.859 1.00 1.14 C ATOM 1353 CE2 TYR A 84 12.844 22.730 24.097 1.00 1.45 C ATOM 1354 CZ TYR A 84 12.752 23.976 24.680 1.00 1.24 C ATOM 1355 OH TYR A 84 13.337 25.070 24.076 1.00 1.48 O ATOM 0 H TYR A 84 12.567 18.707 26.451 1.00 0.53 H new ATOM 0 HA TYR A 84 12.059 20.872 28.342 1.00 0.51 H new ATOM 0 HB2 TYR A 84 10.714 19.770 25.815 1.00 0.67 H new ATOM 0 HB3 TYR A 84 9.825 20.880 26.839 1.00 0.67 H new ATOM 0 HD1 TYR A 84 10.912 23.140 27.369 1.00 0.90 H new ATOM 0 HD2 TYR A 84 12.317 20.657 24.215 1.00 1.30 H new ATOM 0 HE1 TYR A 84 11.980 25.084 26.328 1.00 1.14 H new ATOM 0 HE2 TYR A 84 13.393 22.611 23.174 1.00 1.45 H new ATOM 0 HH TYR A 84 12.639 25.665 23.731 1.00 1.48 H new