USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 717 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 34 SER OG : rot 62:sc= -0.781 USER MOD Set 1.2: A 66 MET CE :methyl -128:sc= -2.17 (180deg=-4.87!) USER MOD Set 2.1: A 55 ASN : amide:sc= -0.656 K(o=-0.66,f=-6.7!) USER MOD Set 2.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 24:sc= 0.59 USER MOD Set 4.1: A 16 ASN : amide:sc= 0.482 K(o=1.3,f=-3.2) USER MOD Set 4.2: A 74 ASN :FLIP amide:sc= 0.838 F(o=-0.37,f=1.3) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0632 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.39 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00137 USER MOD Single : A 6 SER OG : rot 18:sc= 0.0791 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -4.83 X(o=-4.8,f=-5) USER MOD Single : A 10 THR OG1 : rot -140:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 44:sc= -0.548 USER MOD Single : A 20 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.31) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.415) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -70:sc= 0.296 USER MOD Single : A 28 ASN : amide:sc= -0.0884 K(o=-0.088,f=-1.8!) USER MOD Single : A 36 ASN : amide:sc= -0.929 X(o=-0.93,f=-1.3!) USER MOD Single : A 37 CYS SG : rot 100:sc= 1.19 USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0151) USER MOD Single : A 43 SER OG : rot 21:sc= 0.907 USER MOD Single : A 47 CYS SG : rot 180:sc= -0.944 USER MOD Single : A 56 GLN : amide:sc= -0.0224 K(o=-0.022,f=-2!) USER MOD Single : A 63 GLN : amide:sc= -0.0493 K(o=-0.049,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.43 F(o=-3.5,f=-0.43) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.637 K(o=-0.64,f=-1.7) USER MOD Single : A 88 CYS SG : rot 52:sc= -0.252 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 4:sc= 1.22 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.411 17.961 13.600 1.00 0.00 N ATOM 2 CA GLY A 1 21.519 17.016 14.246 1.00 0.00 C ATOM 3 C GLY A 1 21.286 15.774 13.408 1.00 0.00 C ATOM 4 O GLY A 1 21.471 15.794 12.192 1.00 0.00 O ATOM 0 H1 GLY A 1 23.292 18.038 14.148 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.629 17.631 12.638 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.952 18.893 13.550 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.937 16.727 15.210 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.563 17.501 14.445 1.00 0.00 H new ATOM 8 N SER A 2 20.879 14.690 14.061 1.00 0.00 N ATOM 9 CA SER A 2 20.626 13.432 13.369 1.00 0.00 C ATOM 10 C SER A 2 19.193 12.962 13.604 1.00 0.00 C ATOM 11 O SER A 2 18.437 12.743 12.658 1.00 0.00 O ATOM 12 CB SER A 2 21.610 12.359 13.840 1.00 0.00 C ATOM 13 OG SER A 2 22.950 12.780 13.653 1.00 0.00 O ATOM 0 H SER A 2 20.718 14.658 15.068 1.00 0.00 H new ATOM 0 HA SER A 2 20.765 13.599 12.301 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.438 12.140 14.894 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.436 11.434 13.290 1.00 0.00 H new ATOM 0 HG SER A 2 23.560 12.078 13.963 1.00 0.00 H new ATOM 19 N SER A 3 18.827 12.810 14.873 1.00 0.00 N ATOM 20 CA SER A 3 17.487 12.362 15.233 1.00 0.00 C ATOM 21 C SER A 3 16.426 13.184 14.508 1.00 0.00 C ATOM 22 O SER A 3 16.141 14.321 14.884 1.00 0.00 O ATOM 23 CB SER A 3 17.283 12.465 16.746 1.00 0.00 C ATOM 24 OG SER A 3 17.616 13.758 17.220 1.00 0.00 O ATOM 0 H SER A 3 19.439 12.990 15.668 1.00 0.00 H new ATOM 0 HA SER A 3 17.384 11.320 14.929 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.245 12.241 16.992 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.898 11.720 17.250 1.00 0.00 H new ATOM 0 HG SER A 3 17.248 14.434 16.613 1.00 0.00 H new ATOM 30 N GLY A 4 15.845 12.600 13.465 1.00 0.00 N ATOM 31 CA GLY A 4 14.822 13.292 12.703 1.00 0.00 C ATOM 32 C GLY A 4 15.213 13.489 11.252 1.00 0.00 C ATOM 33 O GLY A 4 16.343 13.876 10.954 1.00 0.00 O ATOM 0 H GLY A 4 16.064 11.660 13.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.892 12.726 12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.628 14.263 13.159 1.00 0.00 H new ATOM 37 N SER A 5 14.279 13.219 10.346 1.00 0.00 N ATOM 38 CA SER A 5 14.534 13.363 8.918 1.00 0.00 C ATOM 39 C SER A 5 13.608 14.408 8.303 1.00 0.00 C ATOM 40 O SER A 5 12.624 14.819 8.917 1.00 0.00 O ATOM 41 CB SER A 5 14.349 12.020 8.207 1.00 0.00 C ATOM 42 OG SER A 5 14.881 12.060 6.895 1.00 0.00 O ATOM 0 H SER A 5 13.338 12.899 10.576 1.00 0.00 H new ATOM 0 HA SER A 5 15.564 13.695 8.790 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.840 11.232 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.289 11.770 8.165 1.00 0.00 H new ATOM 0 HG SER A 5 14.752 11.190 6.463 1.00 0.00 H new ATOM 48 N SER A 6 13.931 14.832 7.086 1.00 0.00 N ATOM 49 CA SER A 6 13.131 15.832 6.388 1.00 0.00 C ATOM 50 C SER A 6 13.104 15.556 4.887 1.00 0.00 C ATOM 51 O SER A 6 14.115 15.694 4.201 1.00 0.00 O ATOM 52 CB SER A 6 13.686 17.234 6.650 1.00 0.00 C ATOM 53 OG SER A 6 13.229 17.739 7.892 1.00 0.00 O ATOM 0 H SER A 6 14.741 14.499 6.563 1.00 0.00 H new ATOM 0 HA SER A 6 12.111 15.775 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.776 17.204 6.645 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.382 17.905 5.847 1.00 0.00 H new ATOM 0 HG SER A 6 12.905 16.999 8.447 1.00 0.00 H new ATOM 59 N GLY A 7 11.937 15.163 4.385 1.00 0.00 N ATOM 60 CA GLY A 7 11.798 14.873 2.970 1.00 0.00 C ATOM 61 C GLY A 7 10.464 15.328 2.413 1.00 0.00 C ATOM 62 O GLY A 7 9.418 15.095 3.020 1.00 0.00 O ATOM 0 H GLY A 7 11.086 15.040 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.603 15.362 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.908 13.801 2.810 1.00 0.00 H new ATOM 66 N CYS A 8 10.499 15.979 1.255 1.00 0.00 N ATOM 67 CA CYS A 8 9.283 16.470 0.617 1.00 0.00 C ATOM 68 C CYS A 8 8.230 15.369 0.535 1.00 0.00 C ATOM 69 O CYS A 8 7.050 15.604 0.798 1.00 0.00 O ATOM 70 CB CYS A 8 9.595 17.000 -0.783 1.00 0.00 C ATOM 71 SG CYS A 8 10.470 18.582 -0.795 1.00 0.00 S ATOM 0 H CYS A 8 11.356 16.179 0.739 1.00 0.00 H new ATOM 0 HA CYS A 8 8.886 17.283 1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.195 16.261 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.661 17.109 -1.335 1.00 0.00 H new ATOM 0 HG CYS A 8 10.691 18.946 -2.023 1.00 0.00 H new ATOM 77 N HIS A 9 8.664 14.168 0.166 1.00 0.00 N ATOM 78 CA HIS A 9 7.758 13.031 0.048 1.00 0.00 C ATOM 79 C HIS A 9 6.821 12.955 1.249 1.00 0.00 C ATOM 80 O HIS A 9 7.012 13.655 2.245 1.00 0.00 O ATOM 81 CB HIS A 9 8.552 11.731 -0.077 1.00 0.00 C ATOM 82 CG HIS A 9 8.872 11.358 -1.492 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.992 11.812 -2.155 1.00 0.00 N ATOM 84 CD2 HIS A 9 8.212 10.567 -2.370 1.00 0.00 C ATOM 85 CE1 HIS A 9 10.007 11.319 -3.380 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.937 10.559 -3.536 1.00 0.00 N ATOM 0 H HIS A 9 9.637 13.957 -0.056 1.00 0.00 H new ATOM 0 HA HIS A 9 7.157 13.169 -0.851 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.482 11.827 0.484 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.984 10.923 0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.287 10.040 -2.187 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.764 11.505 -4.127 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.690 10.050 -4.384 1.00 0.00 H new ATOM 94 N THR A 10 5.806 12.102 1.150 1.00 0.00 N ATOM 95 CA THR A 10 4.839 11.937 2.227 1.00 0.00 C ATOM 96 C THR A 10 4.500 10.466 2.440 1.00 0.00 C ATOM 97 O THR A 10 3.801 9.855 1.630 1.00 0.00 O ATOM 98 CB THR A 10 3.541 12.714 1.940 1.00 0.00 C ATOM 99 OG1 THR A 10 3.850 14.056 1.548 1.00 0.00 O ATOM 100 CG2 THR A 10 2.640 12.734 3.166 1.00 0.00 C ATOM 0 H THR A 10 5.633 11.515 0.334 1.00 0.00 H new ATOM 0 HA THR A 10 5.301 12.336 3.130 1.00 0.00 H new ATOM 0 HB THR A 10 3.014 12.211 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.206 14.672 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.729 13.288 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.383 11.712 3.445 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.162 13.216 3.993 1.00 0.00 H new ATOM 108 N LEU A 11 4.998 9.901 3.535 1.00 0.00 N ATOM 109 CA LEU A 11 4.747 8.500 3.855 1.00 0.00 C ATOM 110 C LEU A 11 3.496 8.355 4.716 1.00 0.00 C ATOM 111 O LEU A 11 3.191 9.219 5.539 1.00 0.00 O ATOM 112 CB LEU A 11 5.952 7.899 4.580 1.00 0.00 C ATOM 113 CG LEU A 11 7.280 7.942 3.824 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.443 8.073 4.795 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.442 6.699 2.960 1.00 0.00 C ATOM 0 H LEU A 11 5.578 10.392 4.216 1.00 0.00 H new ATOM 0 HA LEU A 11 4.587 7.961 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.079 8.423 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.726 6.860 4.818 1.00 0.00 H new ATOM 0 HG LEU A 11 7.277 8.816 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.380 8.102 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.334 8.992 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.449 7.219 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.393 6.746 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.423 5.811 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.626 6.648 2.239 1.00 0.00 H new ATOM 127 N LEU A 12 2.776 7.255 4.523 1.00 0.00 N ATOM 128 CA LEU A 12 1.559 6.994 5.283 1.00 0.00 C ATOM 129 C LEU A 12 1.741 5.792 6.206 1.00 0.00 C ATOM 130 O LEU A 12 2.574 4.922 5.952 1.00 0.00 O ATOM 131 CB LEU A 12 0.384 6.750 4.335 1.00 0.00 C ATOM 132 CG LEU A 12 -0.287 7.999 3.763 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.293 7.620 2.688 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.962 8.796 4.870 1.00 0.00 C ATOM 0 H LEU A 12 3.014 6.530 3.847 1.00 0.00 H new ATOM 0 HA LEU A 12 1.347 7.871 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.734 6.137 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.370 6.167 4.865 1.00 0.00 H new ATOM 0 HG LEU A 12 0.481 8.624 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.760 8.522 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.783 7.093 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.058 6.973 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.434 9.681 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.718 8.178 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.217 9.100 5.605 1.00 0.00 H new ATOM 146 N TYR A 13 0.954 5.750 7.275 1.00 0.00 N ATOM 147 CA TYR A 13 1.028 4.656 8.236 1.00 0.00 C ATOM 148 C TYR A 13 -0.327 3.969 8.385 1.00 0.00 C ATOM 149 O TYR A 13 -1.289 4.567 8.866 1.00 0.00 O ATOM 150 CB TYR A 13 1.502 5.173 9.595 1.00 0.00 C ATOM 151 CG TYR A 13 2.850 5.857 9.546 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.813 5.472 8.621 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.160 6.888 10.424 1.00 0.00 C ATOM 154 CE1 TYR A 13 5.046 6.093 8.574 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.390 7.516 10.383 1.00 0.00 C ATOM 156 CZ TYR A 13 5.329 7.115 9.456 1.00 0.00 C ATOM 157 OH TYR A 13 6.556 7.737 9.411 1.00 0.00 O ATOM 0 H TYR A 13 0.257 6.461 7.498 1.00 0.00 H new ATOM 0 HA TYR A 13 1.746 3.926 7.862 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.763 5.872 9.986 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.553 4.338 10.294 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.594 4.674 7.927 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.427 7.204 11.151 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.784 5.780 7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.615 8.316 11.073 1.00 0.00 H new ATOM 0 HH TYR A 13 6.594 8.435 10.098 1.00 0.00 H new ATOM 167 N VAL A 14 -0.393 2.709 7.968 1.00 0.00 N ATOM 168 CA VAL A 14 -1.628 1.938 8.056 1.00 0.00 C ATOM 169 C VAL A 14 -1.624 1.032 9.282 1.00 0.00 C ATOM 170 O VAL A 14 -0.576 0.535 9.696 1.00 0.00 O ATOM 171 CB VAL A 14 -1.844 1.079 6.796 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.258 0.520 6.767 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.557 1.891 5.542 1.00 0.00 C ATOM 0 H VAL A 14 0.394 2.200 7.566 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.444 2.656 8.141 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.148 0.241 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.392 -0.084 5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.423 -0.099 7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.974 1.342 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.715 1.268 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.227 2.750 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.524 2.237 5.561 1.00 0.00 H new ATOM 183 N TYR A 15 -2.802 0.820 9.857 1.00 0.00 N ATOM 184 CA TYR A 15 -2.935 -0.026 11.037 1.00 0.00 C ATOM 185 C TYR A 15 -4.197 -0.880 10.956 1.00 0.00 C ATOM 186 O TYR A 15 -4.987 -0.752 10.022 1.00 0.00 O ATOM 187 CB TYR A 15 -2.966 0.831 12.304 1.00 0.00 C ATOM 188 CG TYR A 15 -1.818 1.811 12.400 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.879 3.046 11.766 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.674 1.502 13.125 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.832 3.944 11.851 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.376 2.395 13.216 1.00 0.00 C ATOM 193 CZ TYR A 15 0.293 3.614 12.577 1.00 0.00 C ATOM 194 OH TYR A 15 1.336 4.506 12.665 1.00 0.00 O ATOM 0 H TYR A 15 -3.679 1.222 9.525 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.071 -0.690 11.076 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.906 1.381 12.338 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.948 0.177 13.176 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.759 3.308 11.198 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.604 0.548 13.626 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.895 4.899 11.351 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.258 2.140 13.785 1.00 0.00 H new ATOM 0 HH TYR A 15 0.984 5.404 12.837 1.00 0.00 H new ATOM 204 N ASN A 16 -4.378 -1.751 11.944 1.00 0.00 N ATOM 205 CA ASN A 16 -5.544 -2.626 11.986 1.00 0.00 C ATOM 206 C ASN A 16 -5.642 -3.463 10.714 1.00 0.00 C ATOM 207 O ASN A 16 -6.688 -3.504 10.064 1.00 0.00 O ATOM 208 CB ASN A 16 -6.820 -1.803 12.168 1.00 0.00 C ATOM 209 CG ASN A 16 -7.938 -2.603 12.808 1.00 0.00 C ATOM 210 OD1 ASN A 16 -8.069 -3.804 12.574 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.751 -1.938 13.621 1.00 0.00 N ATOM 0 H ASN A 16 -3.733 -1.869 12.725 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.431 -3.300 12.835 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.602 -0.931 12.785 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.151 -1.432 11.198 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.522 -2.423 14.080 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.605 -0.942 13.786 1.00 0.00 H new ATOM 218 N LEU A 17 -4.547 -4.128 10.364 1.00 0.00 N ATOM 219 CA LEU A 17 -4.509 -4.965 9.170 1.00 0.00 C ATOM 220 C LEU A 17 -4.805 -6.421 9.515 1.00 0.00 C ATOM 221 O LEU A 17 -4.513 -6.896 10.613 1.00 0.00 O ATOM 222 CB LEU A 17 -3.142 -4.858 8.491 1.00 0.00 C ATOM 223 CG LEU A 17 -2.848 -3.537 7.779 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.348 -3.319 7.656 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.507 -3.513 6.407 1.00 0.00 C ATOM 0 H LEU A 17 -3.673 -4.104 10.890 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.278 -4.610 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.371 -5.021 9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.055 -5.666 7.765 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.264 -2.725 8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.158 -2.374 7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.902 -3.292 8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.908 -4.135 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.287 -2.566 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.120 -4.334 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.586 -3.622 6.520 1.00 0.00 H new ATOM 237 N PRO A 18 -5.397 -7.148 8.556 1.00 0.00 N ATOM 238 CA PRO A 18 -5.743 -8.562 8.735 1.00 0.00 C ATOM 239 C PRO A 18 -4.511 -9.458 8.790 1.00 0.00 C ATOM 240 O PRO A 18 -4.105 -10.034 7.780 1.00 0.00 O ATOM 241 CB PRO A 18 -6.582 -8.881 7.495 1.00 0.00 C ATOM 242 CG PRO A 18 -6.132 -7.898 6.470 1.00 0.00 C ATOM 243 CD PRO A 18 -5.775 -6.647 7.224 1.00 0.00 C ATOM 0 HA PRO A 18 -6.264 -8.738 9.676 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.419 -9.905 7.160 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.647 -8.779 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.274 -8.278 5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.921 -7.704 5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.954 -6.112 6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.617 -5.956 7.278 1.00 0.00 H new ATOM 251 N ALA A 19 -3.919 -9.571 9.974 1.00 0.00 N ATOM 252 CA ALA A 19 -2.734 -10.399 10.160 1.00 0.00 C ATOM 253 C ALA A 19 -2.965 -11.813 9.638 1.00 0.00 C ATOM 254 O ALA A 19 -2.116 -12.376 8.948 1.00 0.00 O ATOM 255 CB ALA A 19 -2.341 -10.435 11.630 1.00 0.00 C ATOM 0 H ALA A 19 -4.241 -9.099 10.819 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.919 -9.957 9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.455 -11.057 11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.126 -9.423 11.974 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.161 -10.851 12.216 1.00 0.00 H new ATOM 261 N ASN A 20 -4.119 -12.381 9.973 1.00 0.00 N ATOM 262 CA ASN A 20 -4.461 -13.731 9.538 1.00 0.00 C ATOM 263 C ASN A 20 -4.258 -13.885 8.034 1.00 0.00 C ATOM 264 O ASN A 20 -3.689 -14.874 7.570 1.00 0.00 O ATOM 265 CB ASN A 20 -5.910 -14.056 9.905 1.00 0.00 C ATOM 266 CG ASN A 20 -6.272 -13.588 11.301 1.00 0.00 C ATOM 267 OD1 ASN A 20 -7.007 -12.615 11.471 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.755 -14.280 12.310 1.00 0.00 N ATOM 0 H ASN A 20 -4.833 -11.928 10.544 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.799 -14.430 10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.579 -13.587 9.183 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.067 -15.132 9.833 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.963 -14.011 13.272 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.150 -15.080 12.123 1.00 0.00 H new ATOM 275 N LYS A 21 -4.728 -12.901 7.275 1.00 0.00 N ATOM 276 CA LYS A 21 -4.598 -12.925 5.823 1.00 0.00 C ATOM 277 C LYS A 21 -3.137 -12.793 5.405 1.00 0.00 C ATOM 278 O LYS A 21 -2.539 -11.724 5.533 1.00 0.00 O ATOM 279 CB LYS A 21 -5.422 -11.796 5.198 1.00 0.00 C ATOM 280 CG LYS A 21 -6.851 -11.733 5.707 1.00 0.00 C ATOM 281 CD LYS A 21 -7.705 -12.840 5.112 1.00 0.00 C ATOM 282 CE LYS A 21 -7.592 -12.876 3.595 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.782 -13.514 2.966 1.00 0.00 N ATOM 0 H LYS A 21 -5.203 -12.076 7.642 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.975 -13.883 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.931 -10.844 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.436 -11.924 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.855 -11.814 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.284 -10.764 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.396 -13.801 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.746 -12.691 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.481 -11.861 3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.693 -13.423 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.667 -13.520 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.874 -14.491 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.637 -12.977 3.217 1.00 0.00 H new ATOM 297 N ASP A 22 -2.569 -13.884 4.905 1.00 0.00 N ATOM 298 CA ASP A 22 -1.178 -13.890 4.466 1.00 0.00 C ATOM 299 C ASP A 22 -0.798 -12.548 3.846 1.00 0.00 C ATOM 300 O ASP A 22 -1.468 -12.062 2.936 1.00 0.00 O ATOM 301 CB ASP A 22 -0.944 -15.016 3.457 1.00 0.00 C ATOM 302 CG ASP A 22 -1.078 -16.390 4.083 1.00 0.00 C ATOM 303 OD1 ASP A 22 -2.194 -16.734 4.527 1.00 0.00 O ATOM 304 OD2 ASP A 22 -0.068 -17.123 4.127 1.00 0.00 O ATOM 0 H ASP A 22 -3.050 -14.776 4.793 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.548 -14.058 5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.658 -14.921 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.051 -14.912 3.025 1.00 0.00 H new ATOM 309 N GLY A 23 0.280 -11.954 4.348 1.00 0.00 N ATOM 310 CA GLY A 23 0.729 -10.674 3.833 1.00 0.00 C ATOM 311 C GLY A 23 0.770 -10.641 2.318 1.00 0.00 C ATOM 312 O GLY A 23 0.265 -9.707 1.696 1.00 0.00 O ATOM 0 H GLY A 23 0.850 -12.336 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.065 -9.888 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.722 -10.456 4.225 1.00 0.00 H new ATOM 316 N LYS A 24 1.375 -11.662 1.721 1.00 0.00 N ATOM 317 CA LYS A 24 1.482 -11.747 0.270 1.00 0.00 C ATOM 318 C LYS A 24 0.160 -11.377 -0.395 1.00 0.00 C ATOM 319 O LYS A 24 0.136 -10.911 -1.534 1.00 0.00 O ATOM 320 CB LYS A 24 1.898 -13.159 -0.150 1.00 0.00 C ATOM 321 CG LYS A 24 0.888 -14.229 0.229 1.00 0.00 C ATOM 322 CD LYS A 24 1.224 -15.565 -0.413 1.00 0.00 C ATOM 323 CE LYS A 24 -0.017 -16.424 -0.593 1.00 0.00 C ATOM 324 NZ LYS A 24 -0.417 -17.094 0.676 1.00 0.00 N ATOM 0 H LYS A 24 1.799 -12.443 2.221 1.00 0.00 H new ATOM 0 HA LYS A 24 2.244 -11.038 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.048 -13.179 -1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.857 -13.398 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.864 -14.341 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.109 -13.916 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.695 -15.396 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.948 -16.095 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.839 -15.804 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.171 -17.177 -1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.883 -17.998 0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.428 -17.270 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.075 -16.482 1.199 1.00 0.00 H new ATOM 338 N SER A 25 -0.938 -11.586 0.324 1.00 0.00 N ATOM 339 CA SER A 25 -2.264 -11.276 -0.198 1.00 0.00 C ATOM 340 C SER A 25 -2.679 -9.858 0.180 1.00 0.00 C ATOM 341 O SER A 25 -3.244 -9.126 -0.633 1.00 0.00 O ATOM 342 CB SER A 25 -3.291 -12.279 0.333 1.00 0.00 C ATOM 343 OG SER A 25 -2.945 -13.604 -0.030 1.00 0.00 O ATOM 0 H SER A 25 -0.936 -11.969 1.270 1.00 0.00 H new ATOM 0 HA SER A 25 -2.225 -11.347 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.353 -12.200 1.418 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.278 -12.037 -0.061 1.00 0.00 H new ATOM 0 HG SER A 25 -3.616 -14.226 0.323 1.00 0.00 H new ATOM 349 N VAL A 26 -2.394 -9.475 1.421 1.00 0.00 N ATOM 350 CA VAL A 26 -2.735 -8.144 1.909 1.00 0.00 C ATOM 351 C VAL A 26 -2.111 -7.062 1.035 1.00 0.00 C ATOM 352 O VAL A 26 -2.816 -6.247 0.439 1.00 0.00 O ATOM 353 CB VAL A 26 -2.273 -7.944 3.364 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.673 -6.565 3.866 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.845 -9.033 4.259 1.00 0.00 C ATOM 0 H VAL A 26 -1.927 -10.068 2.107 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.821 -8.060 1.866 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.186 -8.014 3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.338 -6.442 4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.211 -5.802 3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.757 -6.462 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.508 -8.876 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.934 -8.997 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.503 -10.007 3.910 1.00 0.00 H new ATOM 365 N SER A 27 -0.784 -7.060 0.963 1.00 0.00 N ATOM 366 CA SER A 27 -0.063 -6.076 0.164 1.00 0.00 C ATOM 367 C SER A 27 -0.821 -5.759 -1.122 1.00 0.00 C ATOM 368 O SER A 27 -1.381 -4.674 -1.273 1.00 0.00 O ATOM 369 CB SER A 27 1.339 -6.587 -0.171 1.00 0.00 C ATOM 370 OG SER A 27 1.288 -7.891 -0.725 1.00 0.00 O ATOM 0 H SER A 27 -0.186 -7.729 1.448 1.00 0.00 H new ATOM 0 HA SER A 27 0.022 -5.161 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.818 -5.908 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.952 -6.595 0.731 1.00 0.00 H new ATOM 0 HG SER A 27 1.027 -8.531 -0.031 1.00 0.00 H new ATOM 376 N ASN A 28 -0.835 -6.715 -2.044 1.00 0.00 N ATOM 377 CA ASN A 28 -1.523 -6.539 -3.318 1.00 0.00 C ATOM 378 C ASN A 28 -2.776 -5.685 -3.145 1.00 0.00 C ATOM 379 O ASN A 28 -2.896 -4.615 -3.742 1.00 0.00 O ATOM 380 CB ASN A 28 -1.898 -7.899 -3.911 1.00 0.00 C ATOM 381 CG ASN A 28 -2.113 -7.835 -5.411 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.687 -6.887 -6.071 1.00 0.00 O ATOM 383 ND2 ASN A 28 -2.777 -8.848 -5.957 1.00 0.00 N ATOM 0 H ASN A 28 -0.378 -7.620 -1.933 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.846 -6.026 -4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.110 -8.619 -3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.806 -8.264 -3.431 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.952 -8.861 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.112 -9.613 -5.371 1.00 0.00 H new ATOM 390 N ARG A 29 -3.704 -6.165 -2.325 1.00 0.00 N ATOM 391 CA ARG A 29 -4.948 -5.445 -2.074 1.00 0.00 C ATOM 392 C ARG A 29 -4.683 -3.957 -1.868 1.00 0.00 C ATOM 393 O ARG A 29 -5.400 -3.108 -2.399 1.00 0.00 O ATOM 394 CB ARG A 29 -5.657 -6.023 -0.848 1.00 0.00 C ATOM 395 CG ARG A 29 -6.876 -5.224 -0.417 1.00 0.00 C ATOM 396 CD ARG A 29 -8.000 -5.329 -1.437 1.00 0.00 C ATOM 397 NE ARG A 29 -7.779 -4.457 -2.587 1.00 0.00 N ATOM 398 CZ ARG A 29 -8.726 -4.141 -3.462 1.00 0.00 C ATOM 399 NH1 ARG A 29 -9.954 -4.621 -3.318 1.00 0.00 N ATOM 400 NH2 ARG A 29 -8.448 -3.341 -4.484 1.00 0.00 N ATOM 0 H ARG A 29 -3.619 -7.049 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.590 -5.564 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.962 -7.047 -1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.951 -6.069 -0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.226 -5.585 0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.599 -4.178 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.086 -6.361 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.946 -5.069 -0.962 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.846 -4.069 -2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.173 -5.235 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.679 -4.376 -3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.506 -2.968 -4.598 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.177 -3.099 -5.155 1.00 0.00 H new ATOM 414 N LEU A 30 -3.649 -3.647 -1.092 1.00 0.00 N ATOM 415 CA LEU A 30 -3.289 -2.261 -0.815 1.00 0.00 C ATOM 416 C LEU A 30 -2.644 -1.612 -2.035 1.00 0.00 C ATOM 417 O LEU A 30 -3.044 -0.526 -2.457 1.00 0.00 O ATOM 418 CB LEU A 30 -2.335 -2.191 0.379 1.00 0.00 C ATOM 419 CG LEU A 30 -2.961 -2.431 1.753 1.00 0.00 C ATOM 420 CD1 LEU A 30 -3.014 -3.919 2.063 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.186 -1.687 2.830 1.00 0.00 C ATOM 0 H LEU A 30 -3.046 -4.337 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.201 -1.715 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.543 -2.925 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.862 -1.209 0.384 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.981 -2.048 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.463 -4.070 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.614 -4.427 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.004 -4.328 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.646 -1.870 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.155 -2.039 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.201 -0.618 2.617 1.00 0.00 H new ATOM 433 N ARG A 31 -1.646 -2.284 -2.598 1.00 0.00 N ATOM 434 CA ARG A 31 -0.946 -1.772 -3.770 1.00 0.00 C ATOM 435 C ARG A 31 -1.916 -1.081 -4.724 1.00 0.00 C ATOM 436 O ARG A 31 -1.666 0.036 -5.178 1.00 0.00 O ATOM 437 CB ARG A 31 -0.224 -2.909 -4.496 1.00 0.00 C ATOM 438 CG ARG A 31 1.139 -3.238 -3.908 1.00 0.00 C ATOM 439 CD ARG A 31 1.672 -4.559 -4.443 1.00 0.00 C ATOM 440 NE ARG A 31 1.700 -4.587 -5.902 1.00 0.00 N ATOM 441 CZ ARG A 31 2.701 -4.101 -6.627 1.00 0.00 C ATOM 442 NH1 ARG A 31 3.751 -3.552 -6.031 1.00 0.00 N ATOM 443 NH2 ARG A 31 2.654 -4.164 -7.952 1.00 0.00 N ATOM 0 H ARG A 31 -1.304 -3.184 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.212 -1.041 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.848 -3.802 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.102 -2.640 -5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.841 -2.438 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.066 -3.287 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.678 -4.727 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.050 -5.376 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 31 0.907 -5.003 -6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.791 -3.502 -5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.518 -3.180 -6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.849 -4.586 -8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.423 -3.790 -8.508 1.00 0.00 H new ATOM 457 N ARG A 32 -3.023 -1.753 -5.024 1.00 0.00 N ATOM 458 CA ARG A 32 -4.029 -1.204 -5.924 1.00 0.00 C ATOM 459 C ARG A 32 -4.612 0.090 -5.364 1.00 0.00 C ATOM 460 O ARG A 32 -4.753 1.082 -6.081 1.00 0.00 O ATOM 461 CB ARG A 32 -5.147 -2.222 -6.155 1.00 0.00 C ATOM 462 CG ARG A 32 -4.903 -3.137 -7.344 1.00 0.00 C ATOM 463 CD ARG A 32 -5.495 -2.561 -8.621 1.00 0.00 C ATOM 464 NE ARG A 32 -5.278 -3.438 -9.768 1.00 0.00 N ATOM 465 CZ ARG A 32 -5.996 -4.531 -10.004 1.00 0.00 C ATOM 466 NH1 ARG A 32 -6.972 -4.878 -9.176 1.00 0.00 N ATOM 467 NH2 ARG A 32 -5.739 -5.278 -11.070 1.00 0.00 N ATOM 0 H ARG A 32 -3.245 -2.678 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.546 -0.982 -6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.264 -2.830 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.086 -1.690 -6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.831 -3.288 -7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.341 -4.115 -7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.564 -2.400 -8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.049 -1.587 -8.820 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.535 -3.199 -10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.173 -4.306 -8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.522 -5.717 -9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.990 -5.014 -11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.291 -6.117 -11.250 1.00 0.00 H new ATOM 481 N LEU A 33 -4.951 0.073 -4.080 1.00 0.00 N ATOM 482 CA LEU A 33 -5.520 1.244 -3.423 1.00 0.00 C ATOM 483 C LEU A 33 -4.509 2.386 -3.375 1.00 0.00 C ATOM 484 O LEU A 33 -4.882 3.554 -3.266 1.00 0.00 O ATOM 485 CB LEU A 33 -5.973 0.889 -2.006 1.00 0.00 C ATOM 486 CG LEU A 33 -7.096 -0.144 -1.899 1.00 0.00 C ATOM 487 CD1 LEU A 33 -7.090 -0.799 -0.527 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.445 0.504 -2.177 1.00 0.00 C ATOM 0 H LEU A 33 -4.842 -0.739 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.383 1.571 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.111 0.517 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.299 1.803 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.925 -0.917 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.896 -1.531 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.134 -1.298 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.236 -0.038 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.232 -0.246 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.624 1.297 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.446 0.925 -3.182 1.00 0.00 H new ATOM 500 N SER A 34 -3.229 2.040 -3.459 1.00 0.00 N ATOM 501 CA SER A 34 -2.164 3.035 -3.423 1.00 0.00 C ATOM 502 C SER A 34 -1.785 3.476 -4.834 1.00 0.00 C ATOM 503 O SER A 34 -1.360 4.611 -5.048 1.00 0.00 O ATOM 504 CB SER A 34 -0.936 2.473 -2.705 1.00 0.00 C ATOM 505 OG SER A 34 -1.312 1.548 -1.700 1.00 0.00 O ATOM 0 H SER A 34 -2.904 1.078 -3.553 1.00 0.00 H new ATOM 0 HA SER A 34 -2.530 3.903 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.281 1.985 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.367 3.288 -2.259 1.00 0.00 H new ATOM 0 HG SER A 34 -1.781 0.792 -2.110 1.00 0.00 H new ATOM 511 N ASP A 35 -1.942 2.570 -5.792 1.00 0.00 N ATOM 512 CA ASP A 35 -1.618 2.863 -7.183 1.00 0.00 C ATOM 513 C ASP A 35 -2.497 3.989 -7.720 1.00 0.00 C ATOM 514 O ASP A 35 -2.050 4.812 -8.517 1.00 0.00 O ATOM 515 CB ASP A 35 -1.788 1.611 -8.045 1.00 0.00 C ATOM 516 CG ASP A 35 -1.524 1.878 -9.513 1.00 0.00 C ATOM 517 OD1 ASP A 35 -2.066 2.871 -10.042 1.00 0.00 O ATOM 518 OD2 ASP A 35 -0.776 1.094 -10.134 1.00 0.00 O ATOM 0 H ASP A 35 -2.292 1.626 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.578 3.185 -7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.108 0.836 -7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.801 1.226 -7.925 1.00 0.00 H new ATOM 523 N ASN A 36 -3.750 4.015 -7.279 1.00 0.00 N ATOM 524 CA ASN A 36 -4.693 5.039 -7.716 1.00 0.00 C ATOM 525 C ASN A 36 -4.473 6.342 -6.955 1.00 0.00 C ATOM 526 O ASN A 36 -4.741 7.428 -7.472 1.00 0.00 O ATOM 527 CB ASN A 36 -6.131 4.555 -7.517 1.00 0.00 C ATOM 528 CG ASN A 36 -7.143 5.457 -8.197 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.122 6.676 -8.022 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.036 4.861 -8.978 1.00 0.00 N ATOM 0 H ASN A 36 -4.136 3.339 -6.620 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.523 5.226 -8.776 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.229 3.543 -7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.351 4.506 -6.451 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.742 5.416 -9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.016 3.848 -9.094 1.00 0.00 H new ATOM 537 N CYS A 37 -3.982 6.228 -5.726 1.00 0.00 N ATOM 538 CA CYS A 37 -3.725 7.397 -4.893 1.00 0.00 C ATOM 539 C CYS A 37 -2.285 7.874 -5.053 1.00 0.00 C ATOM 540 O CYS A 37 -1.705 8.449 -4.134 1.00 0.00 O ATOM 541 CB CYS A 37 -4.008 7.076 -3.425 1.00 0.00 C ATOM 542 SG CYS A 37 -5.639 6.353 -3.129 1.00 0.00 S ATOM 0 H CYS A 37 -3.754 5.337 -5.284 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.391 8.196 -5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.246 6.387 -3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.916 7.991 -2.840 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.526 5.064 -3.000 1.00 0.00 H new ATOM 548 N GLY A 38 -1.713 7.628 -6.228 1.00 0.00 N ATOM 549 CA GLY A 38 -0.345 8.037 -6.487 1.00 0.00 C ATOM 550 C GLY A 38 0.583 7.720 -5.331 1.00 0.00 C ATOM 551 O GLY A 38 1.315 8.588 -4.858 1.00 0.00 O ATOM 0 H GLY A 38 -2.173 7.153 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.016 7.538 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.321 9.109 -6.685 1.00 0.00 H new ATOM 555 N GLY A 39 0.552 6.472 -4.874 1.00 0.00 N ATOM 556 CA GLY A 39 1.400 6.066 -3.769 1.00 0.00 C ATOM 557 C GLY A 39 2.089 4.739 -4.024 1.00 0.00 C ATOM 558 O GLY A 39 1.913 4.133 -5.080 1.00 0.00 O ATOM 0 H GLY A 39 -0.045 5.735 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.152 6.834 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.800 5.992 -2.862 1.00 0.00 H new ATOM 562 N LYS A 40 2.877 4.288 -3.054 1.00 0.00 N ATOM 563 CA LYS A 40 3.597 3.026 -3.177 1.00 0.00 C ATOM 564 C LYS A 40 3.806 2.383 -1.810 1.00 0.00 C ATOM 565 O LYS A 40 4.282 3.028 -0.876 1.00 0.00 O ATOM 566 CB LYS A 40 4.948 3.249 -3.859 1.00 0.00 C ATOM 567 CG LYS A 40 5.466 2.028 -4.598 1.00 0.00 C ATOM 568 CD LYS A 40 6.089 1.022 -3.645 1.00 0.00 C ATOM 569 CE LYS A 40 7.573 1.290 -3.444 1.00 0.00 C ATOM 570 NZ LYS A 40 8.320 0.048 -3.102 1.00 0.00 N ATOM 0 H LYS A 40 3.033 4.778 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 40 2.996 2.353 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.858 4.077 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.680 3.546 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.648 1.557 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.205 2.336 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.577 1.064 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.950 0.014 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.990 1.726 -4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.705 2.024 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.318 0.281 -2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.907 -0.382 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.258 -0.624 -3.894 1.00 0.00 H new ATOM 584 N VAL A 41 3.448 1.108 -1.700 1.00 0.00 N ATOM 585 CA VAL A 41 3.598 0.377 -0.447 1.00 0.00 C ATOM 586 C VAL A 41 5.041 -0.074 -0.244 1.00 0.00 C ATOM 587 O VAL A 41 5.435 -1.152 -0.691 1.00 0.00 O ATOM 588 CB VAL A 41 2.676 -0.856 -0.402 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.891 -1.730 -1.628 1.00 0.00 C ATOM 590 CG2 VAL A 41 2.909 -1.648 0.876 1.00 0.00 C ATOM 0 H VAL A 41 3.052 0.560 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 41 3.317 1.061 0.354 1.00 0.00 H new ATOM 0 HB VAL A 41 1.641 -0.514 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.231 -2.596 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.669 -1.156 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.928 -2.065 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.250 -2.516 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.947 -1.980 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.698 -1.016 1.739 1.00 0.00 H new ATOM 600 N LEU A 42 5.824 0.758 0.434 1.00 0.00 N ATOM 601 CA LEU A 42 7.225 0.445 0.698 1.00 0.00 C ATOM 602 C LEU A 42 7.363 -0.929 1.345 1.00 0.00 C ATOM 603 O LEU A 42 8.103 -1.784 0.858 1.00 0.00 O ATOM 604 CB LEU A 42 7.844 1.512 1.602 1.00 0.00 C ATOM 605 CG LEU A 42 7.789 2.948 1.080 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.966 3.754 1.609 1.00 0.00 C ATOM 607 CD2 LEU A 42 7.772 2.963 -0.442 1.00 0.00 C ATOM 0 H LEU A 42 5.513 1.654 0.811 1.00 0.00 H new ATOM 0 HA LEU A 42 7.755 0.432 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.340 1.478 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.887 1.250 1.778 1.00 0.00 H new ATOM 0 HG LEU A 42 6.868 3.409 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.910 4.773 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.934 3.773 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.898 3.294 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.733 3.993 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.675 2.484 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.896 2.423 -0.801 1.00 0.00 H new ATOM 619 N SER A 43 6.645 -1.135 2.445 1.00 0.00 N ATOM 620 CA SER A 43 6.689 -2.404 3.160 1.00 0.00 C ATOM 621 C SER A 43 5.461 -2.570 4.049 1.00 0.00 C ATOM 622 O SER A 43 4.711 -1.619 4.273 1.00 0.00 O ATOM 623 CB SER A 43 7.961 -2.494 4.006 1.00 0.00 C ATOM 624 OG SER A 43 9.087 -2.804 3.203 1.00 0.00 O ATOM 0 H SER A 43 6.026 -0.439 2.860 1.00 0.00 H new ATOM 0 HA SER A 43 6.694 -3.207 2.423 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.127 -1.548 4.521 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.837 -3.257 4.774 1.00 0.00 H new ATOM 0 HG SER A 43 8.894 -2.580 2.269 1.00 0.00 H new ATOM 630 N ILE A 44 5.262 -3.783 4.553 1.00 0.00 N ATOM 631 CA ILE A 44 4.125 -4.074 5.418 1.00 0.00 C ATOM 632 C ILE A 44 4.552 -4.898 6.628 1.00 0.00 C ATOM 633 O ILE A 44 4.808 -6.098 6.517 1.00 0.00 O ATOM 634 CB ILE A 44 3.019 -4.830 4.660 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.402 -3.933 3.585 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.952 -5.318 5.628 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.906 -4.693 2.375 1.00 0.00 C ATOM 0 H ILE A 44 5.873 -4.580 4.377 1.00 0.00 H new ATOM 0 HA ILE A 44 3.731 -3.115 5.755 1.00 0.00 H new ATOM 0 HB ILE A 44 3.462 -5.698 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.572 -3.377 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.143 -3.201 3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.177 -5.851 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.403 -5.989 6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.510 -4.465 6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.482 -3.994 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.737 -5.228 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.141 -5.406 2.682 1.00 0.00 H new ATOM 649 N THR A 45 4.626 -4.248 7.785 1.00 0.00 N ATOM 650 CA THR A 45 5.021 -4.920 9.016 1.00 0.00 C ATOM 651 C THR A 45 3.809 -5.220 9.891 1.00 0.00 C ATOM 652 O THR A 45 2.883 -4.417 9.983 1.00 0.00 O ATOM 653 CB THR A 45 6.024 -4.073 9.821 1.00 0.00 C ATOM 654 OG1 THR A 45 5.351 -2.970 10.438 1.00 0.00 O ATOM 655 CG2 THR A 45 7.139 -3.556 8.924 1.00 0.00 C ATOM 0 H THR A 45 4.417 -3.256 7.895 1.00 0.00 H new ATOM 0 HA THR A 45 5.498 -5.856 8.727 1.00 0.00 H new ATOM 0 HB THR A 45 6.463 -4.706 10.592 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.996 -2.438 10.949 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.835 -2.961 9.515 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.669 -4.399 8.480 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.713 -2.938 8.134 1.00 0.00 H new ATOM 663 N GLY A 46 3.823 -6.384 10.534 1.00 0.00 N ATOM 664 CA GLY A 46 2.720 -6.770 11.395 1.00 0.00 C ATOM 665 C GLY A 46 1.374 -6.358 10.832 1.00 0.00 C ATOM 666 O GLY A 46 1.114 -6.529 9.640 1.00 0.00 O ATOM 0 H GLY A 46 4.579 -7.067 10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.735 -7.850 11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.854 -6.317 12.377 1.00 0.00 H new ATOM 670 N CYS A 47 0.517 -5.815 11.689 1.00 0.00 N ATOM 671 CA CYS A 47 -0.811 -5.380 11.271 1.00 0.00 C ATOM 672 C CYS A 47 -0.774 -3.947 10.749 1.00 0.00 C ATOM 673 O CYS A 47 -1.814 -3.311 10.578 1.00 0.00 O ATOM 674 CB CYS A 47 -1.795 -5.486 12.436 1.00 0.00 C ATOM 675 SG CYS A 47 -1.814 -7.105 13.242 1.00 0.00 S ATOM 0 H CYS A 47 0.718 -5.665 12.678 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.143 -6.033 10.464 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.547 -4.726 13.177 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.798 -5.261 12.072 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.675 -7.095 14.216 1.00 0.00 H new ATOM 681 N SER A 48 0.431 -3.445 10.500 1.00 0.00 N ATOM 682 CA SER A 48 0.604 -2.085 10.003 1.00 0.00 C ATOM 683 C SER A 48 1.295 -2.087 8.642 1.00 0.00 C ATOM 684 O SER A 48 1.771 -3.122 8.178 1.00 0.00 O ATOM 685 CB SER A 48 1.417 -1.255 10.998 1.00 0.00 C ATOM 686 OG SER A 48 2.479 -2.014 11.548 1.00 0.00 O ATOM 0 H SER A 48 1.302 -3.959 10.634 1.00 0.00 H new ATOM 0 HA SER A 48 -0.384 -1.638 9.889 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.817 -0.373 10.499 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.767 -0.901 11.798 1.00 0.00 H new ATOM 0 HG SER A 48 2.716 -2.739 10.932 1.00 0.00 H new ATOM 692 N ALA A 49 1.345 -0.920 8.009 1.00 0.00 N ATOM 693 CA ALA A 49 1.978 -0.786 6.703 1.00 0.00 C ATOM 694 C ALA A 49 2.485 0.635 6.482 1.00 0.00 C ATOM 695 O ALA A 49 1.986 1.584 7.088 1.00 0.00 O ATOM 696 CB ALA A 49 1.005 -1.178 5.601 1.00 0.00 C ATOM 0 H ALA A 49 0.955 -0.054 8.379 1.00 0.00 H new ATOM 0 HA ALA A 49 2.835 -1.459 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.492 -1.073 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.695 -2.214 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.130 -0.529 5.640 1.00 0.00 H new ATOM 702 N ILE A 50 3.479 0.775 5.612 1.00 0.00 N ATOM 703 CA ILE A 50 4.053 2.081 5.312 1.00 0.00 C ATOM 704 C ILE A 50 4.093 2.331 3.808 1.00 0.00 C ATOM 705 O ILE A 50 4.652 1.537 3.050 1.00 0.00 O ATOM 706 CB ILE A 50 5.478 2.215 5.881 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.450 2.127 7.408 1.00 0.00 C ATOM 708 CG2 ILE A 50 6.107 3.525 5.432 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.824 2.017 8.032 1.00 0.00 C ATOM 0 H ILE A 50 3.904 0.000 5.102 1.00 0.00 H new ATOM 0 HA ILE A 50 3.411 2.824 5.785 1.00 0.00 H new ATOM 0 HB ILE A 50 6.085 1.394 5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.949 3.009 7.806 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.855 1.263 7.703 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.114 3.605 5.842 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.156 3.551 4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.503 4.360 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.728 1.959 9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.320 1.120 7.663 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.415 2.894 7.767 1.00 0.00 H new ATOM 721 N LEU A 51 3.499 3.440 3.382 1.00 0.00 N ATOM 722 CA LEU A 51 3.469 3.798 1.968 1.00 0.00 C ATOM 723 C LEU A 51 4.305 5.046 1.703 1.00 0.00 C ATOM 724 O LEU A 51 4.716 5.738 2.634 1.00 0.00 O ATOM 725 CB LEU A 51 2.027 4.029 1.512 1.00 0.00 C ATOM 726 CG LEU A 51 1.128 2.793 1.474 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.425 2.604 2.810 1.00 0.00 C ATOM 728 CD2 LEU A 51 0.113 2.906 0.346 1.00 0.00 C ATOM 0 H LEU A 51 3.031 4.107 3.996 1.00 0.00 H new ATOM 0 HA LEU A 51 3.896 2.971 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.571 4.765 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.049 4.468 0.515 1.00 0.00 H new ATOM 0 HG LEU A 51 1.752 1.919 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.211 1.720 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.168 2.477 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.187 3.480 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.518 2.017 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.507 3.789 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.636 2.992 -0.607 1.00 0.00 H new ATOM 740 N ARG A 52 4.550 5.327 0.428 1.00 0.00 N ATOM 741 CA ARG A 52 5.336 6.493 0.041 1.00 0.00 C ATOM 742 C ARG A 52 4.625 7.291 -1.048 1.00 0.00 C ATOM 743 O ARG A 52 4.433 6.806 -2.163 1.00 0.00 O ATOM 744 CB ARG A 52 6.719 6.061 -0.450 1.00 0.00 C ATOM 745 CG ARG A 52 7.540 7.198 -1.037 1.00 0.00 C ATOM 746 CD ARG A 52 8.320 7.936 0.041 1.00 0.00 C ATOM 747 NE ARG A 52 9.420 8.717 -0.518 1.00 0.00 N ATOM 748 CZ ARG A 52 10.350 9.311 0.222 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.314 9.211 1.543 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.319 10.005 -0.361 1.00 0.00 N ATOM 0 H ARG A 52 4.216 4.764 -0.354 1.00 0.00 H new ATOM 0 HA ARG A 52 5.451 7.130 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.268 5.619 0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.601 5.283 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.231 6.803 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.881 7.896 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.647 8.597 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.714 7.217 0.760 1.00 0.00 H new ATOM 0 HE ARG A 52 9.478 8.812 -1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.571 8.677 1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.029 9.668 2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.350 10.083 -1.378 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.033 10.461 0.207 1.00 0.00 H new ATOM 764 N PHE A 53 4.235 8.517 -0.716 1.00 0.00 N ATOM 765 CA PHE A 53 3.544 9.383 -1.664 1.00 0.00 C ATOM 766 C PHE A 53 4.417 10.573 -2.052 1.00 0.00 C ATOM 767 O PHE A 53 5.328 10.953 -1.316 1.00 0.00 O ATOM 768 CB PHE A 53 2.224 9.877 -1.068 1.00 0.00 C ATOM 769 CG PHE A 53 1.242 8.775 -0.791 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.382 7.968 0.327 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.178 8.545 -1.649 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.480 6.953 0.585 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.728 7.533 -1.395 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.576 6.735 -0.278 1.00 0.00 C ATOM 0 H PHE A 53 4.386 8.933 0.203 1.00 0.00 H new ATOM 0 HA PHE A 53 3.334 8.801 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.431 10.410 -0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.771 10.593 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.206 8.134 1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.056 9.164 -2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.601 6.331 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.555 7.366 -2.070 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.282 5.942 -0.080 1.00 0.00 H new ATOM 784 N ILE A 54 4.132 11.155 -3.212 1.00 0.00 N ATOM 785 CA ILE A 54 4.890 12.301 -3.697 1.00 0.00 C ATOM 786 C ILE A 54 4.647 13.530 -2.826 1.00 0.00 C ATOM 787 O ILE A 54 5.589 14.189 -2.389 1.00 0.00 O ATOM 788 CB ILE A 54 4.528 12.640 -5.155 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.335 13.847 -5.637 1.00 0.00 C ATOM 790 CG2 ILE A 54 3.036 12.908 -5.281 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.621 13.829 -7.122 1.00 0.00 C ATOM 0 H ILE A 54 3.382 10.852 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 54 5.943 12.026 -3.647 1.00 0.00 H new ATOM 0 HB ILE A 54 4.778 11.786 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.791 14.759 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.279 13.883 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.795 13.146 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.480 12.022 -4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.762 13.748 -4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.196 14.714 -7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.192 12.935 -7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.681 13.825 -7.674 1.00 0.00 H new ATOM 803 N ASN A 55 3.376 13.830 -2.578 1.00 0.00 N ATOM 804 CA ASN A 55 3.008 14.979 -1.758 1.00 0.00 C ATOM 805 C ASN A 55 1.853 14.632 -0.823 1.00 0.00 C ATOM 806 O ASN A 55 1.232 13.578 -0.953 1.00 0.00 O ATOM 807 CB ASN A 55 2.623 16.163 -2.647 1.00 0.00 C ATOM 808 CG ASN A 55 1.593 15.788 -3.695 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.554 15.207 -3.382 1.00 0.00 O ATOM 810 ND2 ASN A 55 1.879 16.119 -4.949 1.00 0.00 N ATOM 0 H ASN A 55 2.584 13.294 -2.933 1.00 0.00 H new ATOM 0 HA ASN A 55 3.871 15.254 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.229 16.967 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.515 16.549 -3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.225 15.892 -5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.753 16.600 -5.163 1.00 0.00 H new ATOM 817 N GLN A 56 1.572 15.528 0.117 1.00 0.00 N ATOM 818 CA GLN A 56 0.492 15.317 1.074 1.00 0.00 C ATOM 819 C GLN A 56 -0.804 14.946 0.359 1.00 0.00 C ATOM 820 O GLN A 56 -1.382 13.889 0.609 1.00 0.00 O ATOM 821 CB GLN A 56 0.279 16.572 1.921 1.00 0.00 C ATOM 822 CG GLN A 56 -0.976 16.524 2.777 1.00 0.00 C ATOM 823 CD GLN A 56 -0.882 17.411 4.002 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.186 17.933 4.325 1.00 0.00 O ATOM 825 NE2 GLN A 56 -2.002 17.588 4.693 1.00 0.00 N ATOM 0 H GLN A 56 2.077 16.406 0.237 1.00 0.00 H new ATOM 0 HA GLN A 56 0.776 14.491 1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.145 16.714 2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.227 17.439 1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.833 16.830 2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.158 15.496 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.865 17.137 4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.999 18.175 5.527 1.00 0.00 H new ATOM 834 N ASP A 57 -1.254 15.824 -0.531 1.00 0.00 N ATOM 835 CA ASP A 57 -2.481 15.589 -1.283 1.00 0.00 C ATOM 836 C ASP A 57 -2.623 14.113 -1.644 1.00 0.00 C ATOM 837 O ASP A 57 -3.559 13.444 -1.207 1.00 0.00 O ATOM 838 CB ASP A 57 -2.497 16.441 -2.553 1.00 0.00 C ATOM 839 CG ASP A 57 -3.903 16.695 -3.062 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.668 15.719 -3.201 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.237 17.871 -3.321 1.00 0.00 O ATOM 0 H ASP A 57 -0.788 16.704 -0.749 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.324 15.873 -0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.008 17.395 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.917 15.942 -3.329 1.00 0.00 H new ATOM 846 N SER A 58 -1.688 13.613 -2.446 1.00 0.00 N ATOM 847 CA SER A 58 -1.712 12.218 -2.871 1.00 0.00 C ATOM 848 C SER A 58 -1.852 11.287 -1.670 1.00 0.00 C ATOM 849 O SER A 58 -2.604 10.314 -1.709 1.00 0.00 O ATOM 850 CB SER A 58 -0.439 11.878 -3.648 1.00 0.00 C ATOM 851 OG SER A 58 -0.544 12.285 -5.002 1.00 0.00 O ATOM 0 H SER A 58 -0.905 14.153 -2.814 1.00 0.00 H new ATOM 0 HA SER A 58 -2.575 12.076 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.416 12.368 -3.183 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.256 10.805 -3.601 1.00 0.00 H new ATOM 0 HG SER A 58 0.283 12.058 -5.477 1.00 0.00 H new ATOM 857 N ALA A 59 -1.121 11.594 -0.603 1.00 0.00 N ATOM 858 CA ALA A 59 -1.165 10.788 0.610 1.00 0.00 C ATOM 859 C ALA A 59 -2.538 10.859 1.269 1.00 0.00 C ATOM 860 O ALA A 59 -2.969 9.916 1.931 1.00 0.00 O ATOM 861 CB ALA A 59 -0.086 11.240 1.584 1.00 0.00 C ATOM 0 H ALA A 59 -0.491 12.395 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.978 9.751 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.131 10.629 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.894 11.129 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.247 12.286 1.846 1.00 0.00 H new ATOM 867 N GLU A 60 -3.221 11.985 1.082 1.00 0.00 N ATOM 868 CA GLU A 60 -4.545 12.179 1.660 1.00 0.00 C ATOM 869 C GLU A 60 -5.566 11.253 1.005 1.00 0.00 C ATOM 870 O GLU A 60 -6.132 10.375 1.656 1.00 0.00 O ATOM 871 CB GLU A 60 -4.986 13.636 1.503 1.00 0.00 C ATOM 872 CG GLU A 60 -4.073 14.628 2.203 1.00 0.00 C ATOM 873 CD GLU A 60 -4.780 15.920 2.560 1.00 0.00 C ATOM 874 OE1 GLU A 60 -6.002 15.877 2.815 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.113 16.975 2.584 1.00 0.00 O ATOM 0 H GLU A 60 -2.879 12.775 0.535 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.489 11.936 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.029 13.881 0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.997 13.745 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.676 14.173 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.222 14.850 1.559 1.00 0.00 H new ATOM 882 N ARG A 61 -5.796 11.457 -0.288 1.00 0.00 N ATOM 883 CA ARG A 61 -6.749 10.642 -1.032 1.00 0.00 C ATOM 884 C ARG A 61 -6.692 9.187 -0.577 1.00 0.00 C ATOM 885 O ARG A 61 -7.704 8.486 -0.579 1.00 0.00 O ATOM 886 CB ARG A 61 -6.465 10.730 -2.533 1.00 0.00 C ATOM 887 CG ARG A 61 -6.556 12.141 -3.089 1.00 0.00 C ATOM 888 CD ARG A 61 -6.544 12.143 -4.609 1.00 0.00 C ATOM 889 NE ARG A 61 -7.856 11.826 -5.168 1.00 0.00 N ATOM 890 CZ ARG A 61 -8.813 12.729 -5.352 1.00 0.00 C ATOM 891 NH1 ARG A 61 -8.605 13.997 -5.025 1.00 0.00 N ATOM 892 NH2 ARG A 61 -9.980 12.364 -5.866 1.00 0.00 N ATOM 0 H ARG A 61 -5.336 12.179 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.750 11.027 -0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.468 10.335 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.171 10.093 -3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.469 12.616 -2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.721 12.734 -2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.224 13.121 -4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.813 11.418 -4.967 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.048 10.859 -5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.708 14.282 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.342 14.688 -5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.143 11.390 -6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.714 13.058 -6.007 1.00 0.00 H new ATOM 906 N ALA A 62 -5.503 8.740 -0.187 1.00 0.00 N ATOM 907 CA ALA A 62 -5.315 7.370 0.272 1.00 0.00 C ATOM 908 C ALA A 62 -5.649 7.237 1.754 1.00 0.00 C ATOM 909 O ALA A 62 -6.229 6.239 2.181 1.00 0.00 O ATOM 910 CB ALA A 62 -3.887 6.916 0.008 1.00 0.00 C ATOM 0 H ALA A 62 -4.655 9.307 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.997 6.729 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.761 5.891 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.682 6.964 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.194 7.568 0.540 1.00 0.00 H new ATOM 916 N GLN A 63 -5.277 8.247 2.533 1.00 0.00 N ATOM 917 CA GLN A 63 -5.536 8.241 3.968 1.00 0.00 C ATOM 918 C GLN A 63 -7.031 8.340 4.251 1.00 0.00 C ATOM 919 O GLN A 63 -7.516 7.844 5.268 1.00 0.00 O ATOM 920 CB GLN A 63 -4.799 9.398 4.645 1.00 0.00 C ATOM 921 CG GLN A 63 -4.828 9.331 6.164 1.00 0.00 C ATOM 922 CD GLN A 63 -6.018 10.060 6.757 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.741 10.767 6.054 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.229 9.890 8.057 1.00 0.00 N ATOM 0 H GLN A 63 -4.795 9.080 2.195 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.169 7.298 4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.762 9.403 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.243 10.340 4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.853 8.287 6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.908 9.761 6.561 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.605 9.295 8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.016 10.354 8.511 1.00 0.00 H new ATOM 933 N LYS A 64 -7.759 8.985 3.345 1.00 0.00 N ATOM 934 CA LYS A 64 -9.200 9.149 3.496 1.00 0.00 C ATOM 935 C LYS A 64 -9.949 7.974 2.876 1.00 0.00 C ATOM 936 O LYS A 64 -11.086 7.684 3.249 1.00 0.00 O ATOM 937 CB LYS A 64 -9.655 10.458 2.847 1.00 0.00 C ATOM 938 CG LYS A 64 -9.591 10.439 1.330 1.00 0.00 C ATOM 939 CD LYS A 64 -10.893 9.946 0.722 1.00 0.00 C ATOM 940 CE LYS A 64 -11.924 11.060 0.633 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.940 10.793 -0.423 1.00 0.00 N ATOM 0 H LYS A 64 -7.374 9.403 2.498 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.428 9.180 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.678 10.671 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.034 11.273 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.373 11.442 0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.772 9.796 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.702 9.545 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.290 9.129 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.422 11.172 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.421 12.004 0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.625 11.575 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.468 10.712 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.438 9.905 -0.209 1.00 0.00 H new ATOM 955 N ARG A 65 -9.304 7.300 1.929 1.00 0.00 N ATOM 956 CA ARG A 65 -9.910 6.156 1.258 1.00 0.00 C ATOM 957 C ARG A 65 -9.667 4.872 2.046 1.00 0.00 C ATOM 958 O ARG A 65 -10.608 4.237 2.522 1.00 0.00 O ATOM 959 CB ARG A 65 -9.348 6.012 -0.157 1.00 0.00 C ATOM 960 CG ARG A 65 -9.433 4.597 -0.705 1.00 0.00 C ATOM 961 CD ARG A 65 -10.876 4.132 -0.825 1.00 0.00 C ATOM 962 NE ARG A 65 -11.006 2.971 -1.702 1.00 0.00 N ATOM 963 CZ ARG A 65 -12.135 2.639 -2.319 1.00 0.00 C ATOM 964 NH1 ARG A 65 -13.225 3.376 -2.156 1.00 0.00 N ATOM 965 NH2 ARG A 65 -12.174 1.568 -3.101 1.00 0.00 N ATOM 0 H ARG A 65 -8.362 7.526 1.609 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.985 6.328 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.889 6.684 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.306 6.331 -0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.953 4.555 -1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.884 3.919 -0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.260 3.884 0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.489 4.947 -1.210 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.185 2.383 -1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.198 4.200 -1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.090 3.119 -2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.337 0.999 -3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.041 1.313 -3.574 1.00 0.00 H new ATOM 979 N MET A 66 -8.399 4.497 2.179 1.00 0.00 N ATOM 980 CA MET A 66 -8.033 3.289 2.910 1.00 0.00 C ATOM 981 C MET A 66 -8.686 3.269 4.289 1.00 0.00 C ATOM 982 O MET A 66 -9.291 2.273 4.683 1.00 0.00 O ATOM 983 CB MET A 66 -6.513 3.193 3.051 1.00 0.00 C ATOM 984 CG MET A 66 -5.818 2.676 1.802 1.00 0.00 C ATOM 985 SD MET A 66 -4.100 2.219 2.101 1.00 0.00 S ATOM 986 CE MET A 66 -3.248 3.408 1.068 1.00 0.00 C ATOM 0 H MET A 66 -7.608 5.011 1.791 1.00 0.00 H new ATOM 0 HA MET A 66 -8.393 2.429 2.345 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.116 4.178 3.296 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.275 2.536 3.888 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.359 1.810 1.422 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.857 3.441 1.027 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.549 2.887 0.414 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.974 3.951 0.463 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.702 4.111 1.697 1.00 0.00 H new ATOM 996 N GLU A 67 -8.557 4.374 5.015 1.00 0.00 N ATOM 997 CA GLU A 67 -9.134 4.481 6.350 1.00 0.00 C ATOM 998 C GLU A 67 -10.533 3.873 6.389 1.00 0.00 C ATOM 999 O GLU A 67 -10.919 3.240 7.371 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.190 5.946 6.790 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.075 6.812 5.908 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.454 8.122 6.571 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -10.059 8.335 7.736 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.146 8.936 5.923 1.00 0.00 O ATOM 0 H GLU A 67 -8.059 5.207 4.702 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.497 3.926 7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.555 5.995 7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.180 6.356 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.557 7.019 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.981 6.261 5.656 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.287 4.070 5.313 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.644 3.543 5.224 1.00 0.00 C ATOM 1013 C ASN A 68 -12.654 2.182 4.532 1.00 0.00 C ATOM 1014 O ASN A 68 -13.512 1.343 4.806 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.545 4.519 4.465 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.999 5.678 5.331 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.243 5.961 6.385 1.00 0.00 O flip ATOM 1018 ND2 ASN A 68 -15.018 6.312 5.054 1.00 0.00 N flip ATOM 0 H ASN A 68 -10.982 4.590 4.491 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.026 3.420 6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.009 4.905 3.598 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.418 3.986 4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.569 6.059 4.234 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.311 7.090 5.645 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.695 1.973 3.637 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.594 0.714 2.907 1.00 0.00 C ATOM 1027 C GLU A 69 -11.387 -0.455 3.865 1.00 0.00 C ATOM 1028 O GLU A 69 -11.025 -0.264 5.026 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.442 0.774 1.901 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.405 -0.410 0.948 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.737 -0.652 0.266 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.681 -1.101 0.949 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -11.835 -0.391 -0.952 1.00 0.00 O ATOM 0 H GLU A 69 -10.977 2.658 3.399 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.529 0.559 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.524 1.694 1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.498 0.822 2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.640 -0.239 0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.115 -1.305 1.498 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.621 -1.666 3.370 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.461 -2.867 4.180 1.00 0.00 C ATOM 1042 C ASP A 70 -10.714 -3.949 3.406 1.00 0.00 C ATOM 1043 O ASP A 70 -11.309 -4.693 2.626 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.826 -3.393 4.627 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.727 -2.292 5.150 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.206 -1.346 5.777 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.953 -2.375 4.931 1.00 0.00 O ATOM 0 H ASP A 70 -11.922 -1.841 2.411 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.875 -2.605 5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.313 -3.890 3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.686 -4.144 5.404 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.405 -4.031 3.627 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.577 -5.022 2.950 1.00 0.00 C ATOM 1054 C VAL A 71 -9.288 -6.367 2.864 1.00 0.00 C ATOM 1055 O VAL A 71 -9.382 -6.965 1.792 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.228 -5.211 3.670 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.482 -6.408 3.100 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.386 -3.949 3.565 1.00 0.00 C ATOM 0 H VAL A 71 -8.896 -3.423 4.269 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.394 -4.647 1.943 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.423 -5.403 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.532 -6.526 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.083 -7.308 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.296 -6.249 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.437 -4.101 4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.198 -3.723 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.919 -3.117 4.025 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.790 -6.838 4.001 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.494 -8.115 4.055 1.00 0.00 C ATOM 1070 C PHE A 72 -11.264 -8.255 5.365 1.00 0.00 C ATOM 1071 O PHE A 72 -10.673 -8.340 6.440 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.505 -9.273 3.905 1.00 0.00 C ATOM 1073 CG PHE A 72 -9.057 -9.498 2.490 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.972 -9.826 1.503 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.719 -9.383 2.146 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.562 -10.034 0.199 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.304 -9.589 0.844 1.00 0.00 C ATOM 1078 CZ PHE A 72 -8.226 -9.916 -0.130 1.00 0.00 C ATOM 0 H PHE A 72 -9.723 -6.355 4.897 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.206 -8.145 3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.632 -9.078 4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.967 -10.186 4.281 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -11.018 -9.920 1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.993 -9.130 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.286 -10.288 -0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.259 -9.494 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.903 -10.079 -1.148 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.590 -8.279 5.265 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.421 -8.409 6.447 1.00 0.00 C ATOM 1090 C GLY A 73 -12.827 -7.708 7.653 1.00 0.00 C ATOM 1091 O GLY A 73 -12.896 -8.216 8.771 1.00 0.00 O ATOM 0 H GLY A 73 -13.103 -8.211 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.408 -7.996 6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.559 -9.466 6.676 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.241 -6.537 7.425 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.631 -5.765 8.502 1.00 0.00 C ATOM 1097 C ASN A 74 -11.325 -4.342 8.046 1.00 0.00 C ATOM 1098 O ASN A 74 -10.785 -4.130 6.960 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.347 -6.446 8.980 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.324 -5.453 9.498 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -8.485 -4.947 8.603 1.00 0.00 O flip ATOM 1102 ND2 ASN A 74 -9.290 -5.145 10.690 1.00 0.00 N flip ATOM 0 H ASN A 74 -12.176 -6.102 6.505 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.340 -5.718 9.329 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.589 -7.159 9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.913 -7.015 8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.955 -5.559 11.343 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.597 -4.476 11.024 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.674 -3.370 8.883 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.438 -1.967 8.566 1.00 0.00 C ATOM 1111 C ARG A 75 -10.013 -1.560 8.930 1.00 0.00 C ATOM 1112 O ARG A 75 -9.535 -1.850 10.027 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.438 -1.079 9.307 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.717 0.241 8.607 1.00 0.00 C ATOM 1115 CD ARG A 75 -13.967 0.910 9.156 1.00 0.00 C ATOM 1116 NE ARG A 75 -14.298 2.133 8.430 1.00 0.00 N ATOM 1117 CZ ARG A 75 -15.361 2.883 8.698 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -16.192 2.536 9.672 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -15.595 3.982 7.993 1.00 0.00 N ATOM 0 H ARG A 75 -12.121 -3.529 9.786 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.572 -1.836 7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.375 -1.623 9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.058 -0.876 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.863 0.907 8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.835 0.069 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.805 0.216 9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.820 1.143 10.211 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.679 2.428 7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.015 1.692 10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.008 3.113 9.876 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.958 4.252 7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.412 4.557 8.200 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.340 -0.887 8.002 1.00 0.00 N ATOM 1134 CA ILE A 76 -7.971 -0.440 8.226 1.00 0.00 C ATOM 1135 C ILE A 76 -7.931 1.032 8.622 1.00 0.00 C ATOM 1136 O ILE A 76 -8.824 1.804 8.271 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.099 -0.647 6.973 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.776 -0.032 5.747 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.834 -2.129 6.751 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.896 -0.012 4.517 1.00 0.00 C ATOM 0 H ILE A 76 -9.721 -0.640 7.089 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.571 -1.044 9.041 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.143 -0.146 7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.684 -0.592 5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.080 0.988 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.217 -2.259 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.314 -2.539 7.617 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.781 -2.652 6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.441 0.438 3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.999 0.572 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.613 -1.032 4.255 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.889 1.414 9.353 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.732 2.795 9.794 1.00 0.00 C ATOM 1154 C ILE A 77 -5.465 3.415 9.215 1.00 0.00 C ATOM 1155 O ILE A 77 -4.373 2.864 9.350 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.682 2.893 11.330 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.896 2.196 11.947 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.622 4.349 11.766 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.825 2.078 13.453 1.00 0.00 C ATOM 0 H ILE A 77 -6.142 0.788 9.652 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.601 3.343 9.431 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.781 2.391 11.682 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.797 2.746 11.676 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.990 1.199 11.517 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.587 4.402 12.854 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.729 4.817 11.351 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.507 4.874 11.405 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.719 1.574 13.821 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.943 1.502 13.732 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.763 3.073 13.893 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.619 4.568 8.570 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.487 5.266 7.972 1.00 0.00 C ATOM 1173 C VAL A 78 -4.194 6.568 8.708 1.00 0.00 C ATOM 1174 O VAL A 78 -5.091 7.378 8.939 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.740 5.576 6.485 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.456 6.026 5.806 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.327 4.361 5.781 1.00 0.00 C ATOM 0 H VAL A 78 -6.516 5.038 8.449 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.626 4.602 8.056 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.461 6.391 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.655 6.240 4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.082 6.925 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.709 5.235 5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.500 4.597 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.631 3.526 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.272 4.089 6.252 1.00 0.00 H new ATOM 1187 N SER A 79 -2.931 6.764 9.074 1.00 0.00 N ATOM 1188 CA SER A 79 -2.519 7.967 9.787 1.00 0.00 C ATOM 1189 C SER A 79 -1.176 8.473 9.269 1.00 0.00 C ATOM 1190 O SER A 79 -0.356 7.698 8.775 1.00 0.00 O ATOM 1191 CB SER A 79 -2.427 7.688 11.289 1.00 0.00 C ATOM 1192 OG SER A 79 -2.724 8.851 12.042 1.00 0.00 O ATOM 0 H SER A 79 -2.175 6.105 8.888 1.00 0.00 H new ATOM 0 HA SER A 79 -3.269 8.738 9.613 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.120 6.890 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.425 7.337 11.536 1.00 0.00 H new ATOM 0 HG SER A 79 -2.660 8.647 12.998 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.959 9.779 9.385 1.00 0.00 N ATOM 1199 CA PHE A 80 0.284 10.390 8.928 1.00 0.00 C ATOM 1200 C PHE A 80 1.369 10.282 9.995 1.00 0.00 C ATOM 1201 O PHE A 80 2.561 10.319 9.692 1.00 0.00 O ATOM 1202 CB PHE A 80 0.052 11.859 8.568 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.518 12.057 7.192 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.684 11.412 6.812 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.111 12.888 6.280 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.210 11.591 5.546 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.410 13.072 5.013 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.573 12.423 4.647 1.00 0.00 C ATOM 0 H PHE A 80 -1.627 10.434 9.791 1.00 0.00 H new ATOM 0 HA PHE A 80 0.618 9.853 8.040 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.624 12.302 9.300 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.997 12.396 8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.187 10.762 7.513 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.020 13.399 6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.118 11.081 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.091 13.722 4.311 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.984 12.566 3.658 1.00 0.00 H new ATOM 1218 N THR A 81 0.946 10.148 11.249 1.00 0.00 N ATOM 1219 CA THR A 81 1.880 10.036 12.362 1.00 0.00 C ATOM 1220 C THR A 81 1.882 8.624 12.938 1.00 0.00 C ATOM 1221 O THR A 81 0.914 7.874 12.809 1.00 0.00 O ATOM 1222 CB THR A 81 1.538 11.035 13.484 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.125 11.053 13.711 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.018 12.434 13.127 1.00 0.00 C ATOM 0 H THR A 81 -0.037 10.114 11.518 1.00 0.00 H new ATOM 0 HA THR A 81 2.870 10.267 11.969 1.00 0.00 H new ATOM 0 HB THR A 81 2.047 10.714 14.393 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.083 11.689 14.427 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.766 13.122 13.934 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.099 12.423 12.985 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.534 12.761 12.207 1.00 0.00 H new ATOM 1232 N PRO A 82 2.993 8.252 13.589 1.00 0.00 N ATOM 1233 CA PRO A 82 3.148 6.928 14.199 1.00 0.00 C ATOM 1234 C PRO A 82 2.253 6.744 15.420 1.00 0.00 C ATOM 1235 O PRO A 82 2.071 7.667 16.214 1.00 0.00 O ATOM 1236 CB PRO A 82 4.622 6.895 14.607 1.00 0.00 C ATOM 1237 CG PRO A 82 4.998 8.325 14.785 1.00 0.00 C ATOM 1238 CD PRO A 82 4.185 9.095 13.781 1.00 0.00 C ATOM 0 HA PRO A 82 2.863 6.129 13.515 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.765 6.330 15.528 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.234 6.417 13.842 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.785 8.661 15.800 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.065 8.472 14.618 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.921 10.085 14.152 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.730 9.239 12.848 1.00 0.00 H new ATOM 1246 N LYS A 83 1.696 5.547 15.565 1.00 0.00 N ATOM 1247 CA LYS A 83 0.821 5.240 16.690 1.00 0.00 C ATOM 1248 C LYS A 83 1.550 4.401 17.734 1.00 0.00 C ATOM 1249 O LYS A 83 0.999 3.438 18.266 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.427 4.499 16.205 1.00 0.00 C ATOM 1251 CG LYS A 83 -1.246 5.282 15.194 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.719 4.917 15.266 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.930 3.419 15.108 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.282 3.103 14.568 1.00 0.00 N ATOM 0 H LYS A 83 1.835 4.772 14.916 1.00 0.00 H new ATOM 0 HA LYS A 83 0.521 6.181 17.151 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.126 3.551 15.760 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.055 4.263 17.064 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.126 6.350 15.376 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.870 5.085 14.190 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.130 5.245 16.221 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.265 5.447 14.485 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.169 3.013 14.442 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.801 2.930 16.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.387 2.072 14.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.009 3.468 15.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.396 3.548 13.635 1.00 0.00 H new ATOM 1268 N ASN A 84 2.793 4.774 18.023 1.00 0.00 N ATOM 1269 CA ASN A 84 3.597 4.055 19.005 1.00 0.00 C ATOM 1270 C ASN A 84 3.148 4.387 20.424 1.00 0.00 C ATOM 1271 O ASN A 84 2.955 3.494 21.250 1.00 0.00 O ATOM 1272 CB ASN A 84 5.078 4.401 18.833 1.00 0.00 C ATOM 1273 CG ASN A 84 5.990 3.278 19.287 1.00 0.00 C ATOM 1274 OD1 ASN A 84 5.562 2.359 19.985 1.00 0.00 O ATOM 1275 ND2 ASN A 84 7.257 3.348 18.893 1.00 0.00 N ATOM 0 H ASN A 84 3.265 5.569 17.592 1.00 0.00 H new ATOM 0 HA ASN A 84 3.458 2.987 18.840 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.277 4.626 17.785 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.306 5.303 19.401 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.918 2.622 19.169 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.569 4.128 18.315 1.00 0.00 H new ATOM 1282 N ARG A 85 2.983 5.676 20.701 1.00 0.00 N ATOM 1283 CA ARG A 85 2.557 6.126 22.021 1.00 0.00 C ATOM 1284 C ARG A 85 1.520 7.239 21.907 1.00 0.00 C ATOM 1285 O ARG A 85 1.399 7.883 20.865 1.00 0.00 O ATOM 1286 CB ARG A 85 3.760 6.615 22.829 1.00 0.00 C ATOM 1287 CG ARG A 85 4.688 5.498 23.277 1.00 0.00 C ATOM 1288 CD ARG A 85 5.774 5.230 22.247 1.00 0.00 C ATOM 1289 NE ARG A 85 6.960 4.626 22.847 1.00 0.00 N ATOM 1290 CZ ARG A 85 7.929 5.326 23.425 1.00 0.00 C ATOM 1291 NH1 ARG A 85 7.852 6.649 23.482 1.00 0.00 N ATOM 1292 NH2 ARG A 85 8.978 4.704 23.949 1.00 0.00 N ATOM 0 H ARG A 85 3.138 6.428 20.029 1.00 0.00 H new ATOM 0 HA ARG A 85 2.102 5.280 22.537 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.326 7.327 22.228 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.403 7.153 23.707 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.146 5.764 24.230 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.111 4.589 23.444 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.384 4.570 21.472 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.050 6.165 21.760 1.00 0.00 H new ATOM 0 HE ARG A 85 7.049 3.610 22.821 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.047 7.131 23.081 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.598 7.185 23.927 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.041 3.687 23.908 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.721 5.243 24.393 1.00 0.00 H new ATOM 1306 N GLU A 86 0.774 7.459 22.985 1.00 0.00 N ATOM 1307 CA GLU A 86 -0.253 8.493 23.005 1.00 0.00 C ATOM 1308 C GLU A 86 -0.003 9.488 24.134 1.00 0.00 C ATOM 1309 O GLU A 86 0.368 9.104 25.244 1.00 0.00 O ATOM 1310 CB GLU A 86 -1.639 7.864 23.163 1.00 0.00 C ATOM 1311 CG GLU A 86 -2.773 8.765 22.701 1.00 0.00 C ATOM 1312 CD GLU A 86 -2.913 8.798 21.192 1.00 0.00 C ATOM 1313 OE1 GLU A 86 -1.895 9.031 20.507 1.00 0.00 O ATOM 1314 OE2 GLU A 86 -4.040 8.592 20.695 1.00 0.00 O ATOM 0 H GLU A 86 0.862 6.935 23.856 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.210 9.028 22.056 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.673 6.933 22.597 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.795 7.607 24.211 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.709 8.420 23.142 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.601 9.777 23.069 1.00 0.00 H new ATOM 1321 N LEU A 87 -0.207 10.768 23.843 1.00 0.00 N ATOM 1322 CA LEU A 87 -0.002 11.820 24.834 1.00 0.00 C ATOM 1323 C LEU A 87 -0.934 13.000 24.575 1.00 0.00 C ATOM 1324 O LEU A 87 -1.244 13.318 23.426 1.00 0.00 O ATOM 1325 CB LEU A 87 1.453 12.290 24.814 1.00 0.00 C ATOM 1326 CG LEU A 87 2.162 12.223 23.461 1.00 0.00 C ATOM 1327 CD1 LEU A 87 1.824 13.443 22.620 1.00 0.00 C ATOM 1328 CD2 LEU A 87 3.667 12.105 23.653 1.00 0.00 C ATOM 0 H LEU A 87 -0.514 11.103 22.930 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.231 11.409 25.817 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.486 13.320 25.168 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.018 11.690 25.527 1.00 0.00 H new ATOM 0 HG LEU A 87 1.813 11.336 22.933 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.338 13.377 21.661 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.748 13.483 22.453 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.144 14.345 23.142 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.155 12.058 22.680 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.033 12.973 24.202 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.892 11.199 24.216 1.00 0.00 H new ATOM 1340 N CYS A 88 -1.374 13.646 25.649 1.00 0.00 N ATOM 1341 CA CYS A 88 -2.268 14.793 25.538 1.00 0.00 C ATOM 1342 C CYS A 88 -1.497 16.100 25.684 1.00 0.00 C ATOM 1343 O CYS A 88 -1.871 16.967 26.474 1.00 0.00 O ATOM 1344 CB CYS A 88 -3.367 14.713 26.599 1.00 0.00 C ATOM 1345 SG CYS A 88 -2.762 14.834 28.298 1.00 0.00 S ATOM 0 H CYS A 88 -1.126 13.395 26.606 1.00 0.00 H new ATOM 0 HA CYS A 88 -2.725 14.772 24.549 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -4.086 15.513 26.423 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -3.903 13.771 26.482 1.00 0.00 H new ATOM 0 HG CYS A 88 -2.007 15.886 28.416 1.00 0.00 H new ATOM 1351 N GLU A 89 -0.419 16.234 24.919 1.00 0.00 N ATOM 1352 CA GLU A 89 0.406 17.436 24.966 1.00 0.00 C ATOM 1353 C GLU A 89 -0.072 18.464 23.945 1.00 0.00 C ATOM 1354 O GLU A 89 0.015 18.244 22.736 1.00 0.00 O ATOM 1355 CB GLU A 89 1.873 17.085 24.705 1.00 0.00 C ATOM 1356 CG GLU A 89 2.834 18.222 25.008 1.00 0.00 C ATOM 1357 CD GLU A 89 4.168 18.061 24.306 1.00 0.00 C ATOM 1358 OE1 GLU A 89 4.201 18.176 23.063 1.00 0.00 O ATOM 1359 OE2 GLU A 89 5.179 17.819 24.999 1.00 0.00 O ATOM 0 H GLU A 89 -0.096 15.526 24.260 1.00 0.00 H new ATOM 0 HA GLU A 89 0.315 17.870 25.962 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.144 16.220 25.311 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.988 16.792 23.661 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.381 19.166 24.706 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.998 18.277 26.084 1.00 0.00 H new ATOM 1366 N THR A 90 -0.578 19.590 24.440 1.00 0.00 N ATOM 1367 CA THR A 90 -1.071 20.652 23.573 1.00 0.00 C ATOM 1368 C THR A 90 0.070 21.535 23.080 1.00 0.00 C ATOM 1369 O THR A 90 0.466 22.486 23.753 1.00 0.00 O ATOM 1370 CB THR A 90 -2.109 21.531 24.296 1.00 0.00 C ATOM 1371 OG1 THR A 90 -3.172 20.716 24.803 1.00 0.00 O ATOM 1372 CG2 THR A 90 -2.676 22.584 23.356 1.00 0.00 C ATOM 0 H THR A 90 -0.657 19.789 25.437 1.00 0.00 H new ATOM 0 HA THR A 90 -1.546 20.168 22.720 1.00 0.00 H new ATOM 0 HB THR A 90 -1.611 22.036 25.124 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.827 21.282 25.263 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.407 23.192 23.889 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.869 23.221 22.994 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.159 22.095 22.510 1.00 0.00 H new ATOM 1380 N SER A 91 0.594 21.213 21.902 1.00 0.00 N ATOM 1381 CA SER A 91 1.693 21.976 21.321 1.00 0.00 C ATOM 1382 C SER A 91 1.837 21.673 19.832 1.00 0.00 C ATOM 1383 O SER A 91 1.207 20.753 19.311 1.00 0.00 O ATOM 1384 CB SER A 91 3.002 21.659 22.046 1.00 0.00 C ATOM 1385 OG SER A 91 3.057 22.307 23.306 1.00 0.00 O ATOM 0 H SER A 91 0.276 20.430 21.331 1.00 0.00 H new ATOM 0 HA SER A 91 1.469 23.036 21.439 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.094 20.582 22.183 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.846 21.975 21.434 1.00 0.00 H new ATOM 0 HG SER A 91 2.209 22.768 23.474 1.00 0.00 H new ATOM 1391 N GLY A 92 2.672 22.454 19.154 1.00 0.00 N ATOM 1392 CA GLY A 92 2.885 22.254 17.732 1.00 0.00 C ATOM 1393 C GLY A 92 1.708 22.720 16.899 1.00 0.00 C ATOM 1394 O GLY A 92 0.840 21.934 16.517 1.00 0.00 O ATOM 0 H GLY A 92 3.205 23.221 19.564 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.781 22.792 17.423 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.066 21.196 17.540 1.00 0.00 H new ATOM 1398 N PRO A 93 1.666 24.028 16.605 1.00 0.00 N ATOM 1399 CA PRO A 93 0.590 24.627 15.810 1.00 0.00 C ATOM 1400 C PRO A 93 0.645 24.200 14.347 1.00 0.00 C ATOM 1401 O PRO A 93 1.697 23.807 13.844 1.00 0.00 O ATOM 1402 CB PRO A 93 0.848 26.130 15.938 1.00 0.00 C ATOM 1403 CG PRO A 93 2.307 26.241 16.221 1.00 0.00 C ATOM 1404 CD PRO A 93 2.666 25.023 17.027 1.00 0.00 C ATOM 0 HA PRO A 93 -0.395 24.319 16.160 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.581 26.657 15.022 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.255 26.567 16.741 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.882 26.280 15.296 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.529 27.154 16.773 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.681 24.687 16.816 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.611 25.219 18.098 1.00 0.00 H new ATOM 1412 N SER A 94 -0.496 24.281 13.669 1.00 0.00 N ATOM 1413 CA SER A 94 -0.578 23.899 12.263 1.00 0.00 C ATOM 1414 C SER A 94 -0.426 25.119 11.360 1.00 0.00 C ATOM 1415 O SER A 94 -1.306 25.978 11.305 1.00 0.00 O ATOM 1416 CB SER A 94 -1.911 23.203 11.979 1.00 0.00 C ATOM 1417 OG SER A 94 -1.857 21.833 12.339 1.00 0.00 O ATOM 0 H SER A 94 -1.375 24.607 14.070 1.00 0.00 H new ATOM 0 HA SER A 94 0.237 23.207 12.051 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.708 23.697 12.534 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.155 23.295 10.921 1.00 0.00 H new ATOM 0 HG SER A 94 -2.721 21.411 12.150 1.00 0.00 H new ATOM 1423 N SER A 95 0.697 25.188 10.653 1.00 0.00 N ATOM 1424 CA SER A 95 0.968 26.304 9.754 1.00 0.00 C ATOM 1425 C SER A 95 1.369 25.802 8.370 1.00 0.00 C ATOM 1426 O SER A 95 1.970 24.737 8.234 1.00 0.00 O ATOM 1427 CB SER A 95 2.074 27.192 10.328 1.00 0.00 C ATOM 1428 OG SER A 95 2.586 28.070 9.341 1.00 0.00 O ATOM 0 H SER A 95 1.434 24.484 10.685 1.00 0.00 H new ATOM 0 HA SER A 95 0.055 26.891 9.657 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.683 27.770 11.166 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.879 26.569 10.718 1.00 0.00 H new ATOM 0 HG SER A 95 3.290 28.628 9.733 1.00 0.00 H new ATOM 1434 N GLY A 96 1.032 26.579 7.345 1.00 0.00 N ATOM 1435 CA GLY A 96 1.365 26.197 5.985 1.00 0.00 C ATOM 1436 C GLY A 96 1.284 24.700 5.766 1.00 0.00 C ATOM 1437 O GLY A 96 0.686 24.239 4.794 1.00 0.00 O ATOM 0 H GLY A 96 0.535 27.465 7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.688 26.699 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.372 26.541 5.751 1.00 0.00 H new TER 1441 GLY A 96