USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 529 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 63 THR OG1 : rot 180:sc= -1.42 USER MOD Set 1.2: A 65 ASN : amide:sc= -0.278 X(o=-1.7,f=-1.5) USER MOD Set 1.3: A 66 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.0358 X(o=-3.1,f=-3) USER MOD Set 2.2: A 47 HIS : no HD1:sc= -3.03 K(o=-3.1,f=-3.9) USER MOD Single : A 14 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.086) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0737) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= 0.494 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 85:sc= -0.0542 USER MOD Single : A 35 SER OG : rot -162:sc= 1.29 USER MOD Single : A 38 SER OG : rot -12:sc= -2.83 USER MOD Single : A 39 THR OG1 : rot -101:sc= 0.442 USER MOD Single : A 44 MET CE :methyl -162:sc= -14.1! (180deg=-15.5!) USER MOD Single : A 48 THR OG1 : rot -76:sc= 0.886 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.04 X(o=-1,f=-0.83) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.191 F(o=-1.7,f=-0.19) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.827 F(o=-3,f=-0.83) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.375 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -5.85! C(o=-8.1!,f=-5.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= -0.113 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.712 4.223 -9.573 1.00 0.00 N ATOM 25 CA PHE A 10 10.868 3.966 -8.663 1.00 0.00 C ATOM 26 C PHE A 10 10.397 3.222 -7.406 1.00 0.00 C ATOM 27 O PHE A 10 9.290 3.410 -6.937 1.00 0.00 O ATOM 28 CB PHE A 10 11.409 5.365 -8.316 1.00 0.00 C ATOM 29 CG PHE A 10 11.903 5.422 -6.879 1.00 0.00 C ATOM 30 CD1 PHE A 10 11.011 5.748 -5.849 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.248 5.157 -6.580 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.459 5.808 -4.526 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.696 5.220 -5.254 1.00 0.00 C ATOM 34 CZ PHE A 10 12.803 5.544 -4.226 1.00 0.00 C ATOM 0 HA PHE A 10 11.634 3.340 -9.120 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.223 5.621 -8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.625 6.108 -8.464 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.976 5.953 -6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.938 4.905 -7.372 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.769 6.058 -3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.732 5.018 -5.025 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.148 5.591 -3.204 1.00 0.00 H new ATOM 44 N VAL A 11 11.249 2.403 -6.851 1.00 0.00 N ATOM 45 CA VAL A 11 10.885 1.663 -5.609 1.00 0.00 C ATOM 46 C VAL A 11 11.809 2.122 -4.479 1.00 0.00 C ATOM 47 O VAL A 11 13.015 1.997 -4.569 1.00 0.00 O ATOM 48 CB VAL A 11 11.078 0.170 -5.935 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.556 -0.141 -6.209 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.596 -0.674 -4.751 1.00 0.00 C ATOM 0 H VAL A 11 12.186 2.214 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 11 9.860 1.845 -5.286 1.00 0.00 H new ATOM 0 HB VAL A 11 10.499 -0.069 -6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.669 -1.201 -6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.901 0.451 -7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.149 0.106 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.731 -1.731 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.173 -0.417 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.540 -0.475 -4.568 1.00 0.00 H new ATOM 60 N ASP A 12 11.250 2.684 -3.432 1.00 0.00 N ATOM 61 CA ASP A 12 12.091 3.184 -2.299 1.00 0.00 C ATOM 62 C ASP A 12 13.174 2.168 -1.924 1.00 0.00 C ATOM 63 O ASP A 12 12.910 1.175 -1.275 1.00 0.00 O ATOM 64 CB ASP A 12 11.125 3.390 -1.135 1.00 0.00 C ATOM 65 CG ASP A 12 11.706 4.414 -0.156 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.521 4.026 0.661 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.317 5.567 -0.233 1.00 0.00 O ATOM 0 H ASP A 12 10.246 2.818 -3.314 1.00 0.00 H new ATOM 0 HA ASP A 12 12.611 4.104 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.160 3.735 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.949 2.443 -0.624 1.00 0.00 H new ATOM 72 N ASP A 13 14.396 2.429 -2.317 1.00 0.00 N ATOM 73 CA ASP A 13 15.510 1.507 -1.983 1.00 0.00 C ATOM 74 C ASP A 13 15.759 1.545 -0.474 1.00 0.00 C ATOM 75 O ASP A 13 16.308 0.624 0.100 1.00 0.00 O ATOM 76 CB ASP A 13 16.719 2.051 -2.750 1.00 0.00 C ATOM 77 CG ASP A 13 17.761 0.941 -2.917 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.669 0.209 -3.889 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.634 0.842 -2.069 1.00 0.00 O ATOM 0 H ASP A 13 14.665 3.250 -2.859 1.00 0.00 H new ATOM 0 HA ASP A 13 15.302 0.472 -2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.407 2.421 -3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.154 2.894 -2.214 1.00 0.00 H new ATOM 84 N HIS A 14 15.342 2.612 0.165 1.00 0.00 N ATOM 85 CA HIS A 14 15.529 2.735 1.634 1.00 0.00 C ATOM 86 C HIS A 14 14.558 1.804 2.373 1.00 0.00 C ATOM 87 O HIS A 14 14.862 1.301 3.438 1.00 0.00 O ATOM 88 CB HIS A 14 15.234 4.207 1.942 1.00 0.00 C ATOM 89 CG HIS A 14 16.373 4.795 2.728 1.00 0.00 C ATOM 90 ND1 HIS A 14 17.665 4.854 2.229 1.00 0.00 N ATOM 91 CD2 HIS A 14 16.430 5.354 3.981 1.00 0.00 C ATOM 92 CE1 HIS A 14 18.437 5.427 3.170 1.00 0.00 C ATOM 93 NE2 HIS A 14 17.735 5.752 4.258 1.00 0.00 N ATOM 0 H HIS A 14 14.877 3.405 -0.277 1.00 0.00 H new ATOM 0 HA HIS A 14 16.530 2.449 1.956 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.094 4.762 1.015 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.306 4.292 2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.590 5.468 4.650 1.00 0.00 H new ATOM 0 HE1 HIS A 14 19.497 5.603 3.059 1.00 0.00 H new ATOM 0 HE2 HIS A 14 18.080 6.196 5.109 1.00 0.00 H new ATOM 101 N LEU A 15 13.407 1.545 1.800 1.00 0.00 N ATOM 102 CA LEU A 15 12.436 0.618 2.448 1.00 0.00 C ATOM 103 C LEU A 15 12.907 -0.816 2.190 1.00 0.00 C ATOM 104 O LEU A 15 12.841 -1.668 3.053 1.00 0.00 O ATOM 105 CB LEU A 15 11.075 0.937 1.793 1.00 0.00 C ATOM 106 CG LEU A 15 10.703 -0.081 0.705 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.147 -1.352 1.348 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.636 0.530 -0.207 1.00 0.00 C ATOM 0 H LEU A 15 13.101 1.938 0.910 1.00 0.00 H new ATOM 0 HA LEU A 15 12.355 0.732 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.299 0.948 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.108 1.936 1.358 1.00 0.00 H new ATOM 0 HG LEU A 15 11.592 -0.332 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.885 -2.069 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.901 -1.787 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.258 -1.107 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.366 -0.187 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.753 0.777 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.028 1.435 -0.670 1.00 0.00 H new ATOM 120 N LEU A 16 13.411 -1.062 1.005 1.00 0.00 N ATOM 121 CA LEU A 16 13.933 -2.416 0.658 1.00 0.00 C ATOM 122 C LEU A 16 15.052 -2.797 1.626 1.00 0.00 C ATOM 123 O LEU A 16 15.117 -3.909 2.109 1.00 0.00 O ATOM 124 CB LEU A 16 14.494 -2.289 -0.756 1.00 0.00 C ATOM 125 CG LEU A 16 13.428 -2.727 -1.747 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.504 -1.551 -2.032 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.094 -3.196 -3.042 1.00 0.00 C ATOM 0 H LEU A 16 13.483 -0.373 0.257 1.00 0.00 H new ATOM 0 HA LEU A 16 13.159 -3.181 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.792 -1.259 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.386 -2.905 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 16 12.849 -3.551 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.736 -1.856 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.032 -1.226 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.082 -0.728 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.329 -3.510 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.673 -2.378 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.756 -4.035 -2.828 1.00 0.00 H new ATOM 139 N GLU A 17 15.927 -1.865 1.917 1.00 0.00 N ATOM 140 CA GLU A 17 17.046 -2.149 2.870 1.00 0.00 C ATOM 141 C GLU A 17 16.479 -2.645 4.213 1.00 0.00 C ATOM 142 O GLU A 17 17.149 -3.334 4.961 1.00 0.00 O ATOM 143 CB GLU A 17 17.801 -0.814 3.022 1.00 0.00 C ATOM 144 CG GLU A 17 17.528 -0.187 4.394 1.00 0.00 C ATOM 145 CD GLU A 17 18.202 1.186 4.475 1.00 0.00 C ATOM 146 OE1 GLU A 17 19.387 1.226 4.758 1.00 0.00 O ATOM 147 OE2 GLU A 17 17.521 2.173 4.252 1.00 0.00 O ATOM 0 H GLU A 17 15.915 -0.919 1.535 1.00 0.00 H new ATOM 0 HA GLU A 17 17.714 -2.933 2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.871 -0.980 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.494 -0.126 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.454 -0.086 4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.906 -0.836 5.184 1.00 0.00 H new ATOM 154 N LYS A 18 15.245 -2.307 4.512 1.00 0.00 N ATOM 155 CA LYS A 18 14.622 -2.760 5.790 1.00 0.00 C ATOM 156 C LYS A 18 13.740 -3.997 5.553 1.00 0.00 C ATOM 157 O LYS A 18 13.581 -4.822 6.431 1.00 0.00 O ATOM 158 CB LYS A 18 13.771 -1.577 6.261 1.00 0.00 C ATOM 159 CG LYS A 18 14.649 -0.588 7.035 1.00 0.00 C ATOM 160 CD LYS A 18 14.462 -0.802 8.541 1.00 0.00 C ATOM 161 CE LYS A 18 15.453 -1.860 9.041 1.00 0.00 C ATOM 162 NZ LYS A 18 14.648 -3.106 9.214 1.00 0.00 N ATOM 0 H LYS A 18 14.643 -1.734 3.920 1.00 0.00 H new ATOM 0 HA LYS A 18 15.370 -3.046 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.315 -1.081 5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.958 -1.931 6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.696 -0.727 6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.384 0.435 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.618 0.136 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.440 -1.120 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.261 -2.011 8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.912 -1.555 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.287 -3.920 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.052 -3.019 10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.044 -3.248 8.379 1.00 0.00 H new ATOM 176 N VAL A 19 13.162 -4.132 4.378 1.00 0.00 N ATOM 177 CA VAL A 19 12.292 -5.320 4.105 1.00 0.00 C ATOM 178 C VAL A 19 13.132 -6.582 3.913 1.00 0.00 C ATOM 179 O VAL A 19 12.759 -7.651 4.358 1.00 0.00 O ATOM 180 CB VAL A 19 11.516 -4.993 2.829 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.364 -5.286 1.587 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.253 -5.854 2.799 1.00 0.00 C ATOM 0 H VAL A 19 13.256 -3.475 3.604 1.00 0.00 H new ATOM 0 HA VAL A 19 11.622 -5.515 4.942 1.00 0.00 H new ATOM 0 HB VAL A 19 11.259 -3.934 2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.792 -5.046 0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.269 -4.679 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.635 -6.342 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.685 -5.635 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.531 -6.908 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.642 -5.634 3.674 1.00 0.00 H new ATOM 192 N LEU A 20 14.268 -6.467 3.269 1.00 0.00 N ATOM 193 CA LEU A 20 15.134 -7.667 3.075 1.00 0.00 C ATOM 194 C LEU A 20 15.550 -8.180 4.451 1.00 0.00 C ATOM 195 O LEU A 20 15.795 -9.356 4.641 1.00 0.00 O ATOM 196 CB LEU A 20 16.344 -7.205 2.249 1.00 0.00 C ATOM 197 CG LEU A 20 17.186 -6.193 3.036 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.259 -6.930 3.846 1.00 0.00 C ATOM 199 CD2 LEU A 20 17.862 -5.236 2.055 1.00 0.00 C ATOM 0 H LEU A 20 14.629 -5.599 2.872 1.00 0.00 H new ATOM 0 HA LEU A 20 14.627 -8.479 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.957 -8.065 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.003 -6.755 1.317 1.00 0.00 H new ATOM 0 HG LEU A 20 16.542 -5.635 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.855 -6.207 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.780 -7.619 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.906 -7.488 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.463 -4.513 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.504 -5.801 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.102 -4.710 1.477 1.00 0.00 H new ATOM 211 N GLU A 21 15.589 -7.296 5.422 1.00 0.00 N ATOM 212 CA GLU A 21 15.939 -7.714 6.798 1.00 0.00 C ATOM 213 C GLU A 21 14.796 -8.563 7.366 1.00 0.00 C ATOM 214 O GLU A 21 15.018 -9.502 8.109 1.00 0.00 O ATOM 215 CB GLU A 21 16.095 -6.417 7.594 1.00 0.00 C ATOM 216 CG GLU A 21 17.581 -6.118 7.805 1.00 0.00 C ATOM 217 CD GLU A 21 17.737 -4.759 8.491 1.00 0.00 C ATOM 218 OE1 GLU A 21 17.656 -4.718 9.709 1.00 0.00 O ATOM 219 OE2 GLU A 21 17.936 -3.782 7.788 1.00 0.00 O ATOM 0 H GLU A 21 15.391 -6.302 5.310 1.00 0.00 H new ATOM 0 HA GLU A 21 16.850 -8.311 6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.620 -5.593 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.592 -6.507 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.037 -6.899 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.102 -6.116 6.847 1.00 0.00 H new ATOM 226 N LEU A 22 13.572 -8.250 6.996 1.00 0.00 N ATOM 227 CA LEU A 22 12.405 -9.049 7.482 1.00 0.00 C ATOM 228 C LEU A 22 12.371 -10.395 6.751 1.00 0.00 C ATOM 229 O LEU A 22 11.881 -11.380 7.269 1.00 0.00 O ATOM 230 CB LEU A 22 11.167 -8.211 7.139 1.00 0.00 C ATOM 231 CG LEU A 22 10.727 -7.388 8.357 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.290 -8.324 9.486 1.00 0.00 C ATOM 233 CD2 LEU A 22 11.889 -6.512 8.840 1.00 0.00 C ATOM 0 H LEU A 22 13.335 -7.474 6.378 1.00 0.00 H new ATOM 0 HA LEU A 22 12.456 -9.259 8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.389 -7.547 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.355 -8.864 6.820 1.00 0.00 H new ATOM 0 HG LEU A 22 9.889 -6.752 8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.979 -7.734 10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.456 -8.939 9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.123 -8.967 9.769 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.571 -5.930 9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.731 -7.146 9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.193 -5.837 8.040 1.00 0.00 H new ATOM 245 N ASN A 23 12.914 -10.444 5.557 1.00 0.00 N ATOM 246 CA ASN A 23 12.946 -11.727 4.790 1.00 0.00 C ATOM 247 C ASN A 23 14.131 -12.583 5.263 1.00 0.00 C ATOM 248 O ASN A 23 14.215 -13.759 4.961 1.00 0.00 O ATOM 249 CB ASN A 23 13.140 -11.318 3.326 1.00 0.00 C ATOM 250 CG ASN A 23 11.840 -10.730 2.771 1.00 0.00 C ATOM 251 OD1 ASN A 23 10.854 -11.425 2.634 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.799 -9.468 2.439 1.00 0.00 N ATOM 0 H ASN A 23 13.337 -9.647 5.081 1.00 0.00 H new ATOM 0 HA ASN A 23 12.039 -12.315 4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.943 -10.585 3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.439 -12.183 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.939 -9.067 2.065 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.627 -8.883 2.554 1.00 0.00 H new ATOM 259 N ALA A 24 15.045 -11.997 6.006 1.00 0.00 N ATOM 260 CA ALA A 24 16.219 -12.750 6.506 1.00 0.00 C ATOM 261 C ALA A 24 15.867 -13.467 7.807 1.00 0.00 C ATOM 262 O ALA A 24 16.352 -14.550 8.077 1.00 0.00 O ATOM 263 CB ALA A 24 17.285 -11.688 6.761 1.00 0.00 C ATOM 0 H ALA A 24 15.017 -11.016 6.285 1.00 0.00 H new ATOM 0 HA ALA A 24 16.555 -13.510 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.191 -12.165 7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 24 17.507 -11.165 5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.919 -10.975 7.500 1.00 0.00 H new ATOM 269 N LYS A 25 15.016 -12.875 8.611 1.00 0.00 N ATOM 270 CA LYS A 25 14.622 -13.525 9.889 1.00 0.00 C ATOM 271 C LYS A 25 13.361 -14.371 9.672 1.00 0.00 C ATOM 272 O LYS A 25 13.033 -15.228 10.471 1.00 0.00 O ATOM 273 CB LYS A 25 14.367 -12.371 10.867 1.00 0.00 C ATOM 274 CG LYS A 25 13.099 -11.607 10.472 1.00 0.00 C ATOM 275 CD LYS A 25 13.204 -10.155 10.950 1.00 0.00 C ATOM 276 CE LYS A 25 12.896 -10.081 12.450 1.00 0.00 C ATOM 277 NZ LYS A 25 11.985 -8.911 12.605 1.00 0.00 N ATOM 0 H LYS A 25 14.580 -11.970 8.433 1.00 0.00 H new ATOM 0 HA LYS A 25 15.387 -14.200 10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.264 -12.760 11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.221 -11.694 10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.967 -11.636 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.223 -12.083 10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.205 -9.769 10.755 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.507 -9.528 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.422 -10.998 12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.808 -9.950 13.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.732 -8.799 13.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.465 -8.051 12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.122 -9.066 12.045 1.00 0.00 H new ATOM 291 N GLY A 26 12.657 -14.133 8.588 1.00 0.00 N ATOM 292 CA GLY A 26 11.419 -14.913 8.302 1.00 0.00 C ATOM 293 C GLY A 26 10.224 -14.225 8.960 1.00 0.00 C ATOM 294 O GLY A 26 9.286 -14.874 9.386 1.00 0.00 O ATOM 0 H GLY A 26 12.892 -13.428 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.263 -14.987 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.521 -15.930 8.680 1.00 0.00 H new ATOM 298 N GLU A 27 10.251 -12.918 9.052 1.00 0.00 N ATOM 299 CA GLU A 27 9.114 -12.192 9.691 1.00 0.00 C ATOM 300 C GLU A 27 8.383 -11.319 8.666 1.00 0.00 C ATOM 301 O GLU A 27 8.988 -10.531 7.961 1.00 0.00 O ATOM 302 CB GLU A 27 9.751 -11.326 10.779 1.00 0.00 C ATOM 303 CG GLU A 27 9.949 -12.161 12.046 1.00 0.00 C ATOM 304 CD GLU A 27 9.194 -11.513 13.210 1.00 0.00 C ATOM 305 OE1 GLU A 27 8.026 -11.824 13.379 1.00 0.00 O ATOM 306 OE2 GLU A 27 9.795 -10.716 13.911 1.00 0.00 O ATOM 0 H GLU A 27 11.009 -12.326 8.713 1.00 0.00 H new ATOM 0 HA GLU A 27 8.373 -12.879 10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.709 -10.936 10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.116 -10.466 10.993 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.587 -13.177 11.885 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.010 -12.234 12.283 1.00 0.00 H new ATOM 313 N LYS A 28 7.083 -11.453 8.586 1.00 0.00 N ATOM 314 CA LYS A 28 6.294 -10.635 7.622 1.00 0.00 C ATOM 315 C LYS A 28 5.671 -9.439 8.352 1.00 0.00 C ATOM 316 O LYS A 28 4.512 -9.459 8.726 1.00 0.00 O ATOM 317 CB LYS A 28 5.214 -11.583 7.094 1.00 0.00 C ATOM 318 CG LYS A 28 5.841 -12.579 6.115 1.00 0.00 C ATOM 319 CD LYS A 28 5.773 -13.993 6.702 1.00 0.00 C ATOM 320 CE LYS A 28 7.187 -14.578 6.790 1.00 0.00 C ATOM 321 NZ LYS A 28 7.055 -15.791 7.645 1.00 0.00 N ATOM 0 H LYS A 28 6.533 -12.099 9.152 1.00 0.00 H new ATOM 0 HA LYS A 28 6.901 -10.231 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.747 -12.116 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.428 -11.015 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.315 -12.545 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.878 -12.306 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.317 -13.966 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.144 -14.627 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.570 -14.833 5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.883 -13.862 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.765 -15.759 8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.103 -15.820 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.205 -16.642 7.066 1.00 0.00 H new ATOM 335 N ARG A 29 6.442 -8.401 8.564 1.00 0.00 N ATOM 336 CA ARG A 29 5.918 -7.197 9.277 1.00 0.00 C ATOM 337 C ARG A 29 5.639 -6.074 8.268 1.00 0.00 C ATOM 338 O ARG A 29 5.275 -6.332 7.137 1.00 0.00 O ATOM 339 CB ARG A 29 7.038 -6.811 10.251 1.00 0.00 C ATOM 340 CG ARG A 29 6.437 -6.432 11.606 1.00 0.00 C ATOM 341 CD ARG A 29 7.422 -6.797 12.721 1.00 0.00 C ATOM 342 NE ARG A 29 6.571 -7.090 13.910 1.00 0.00 N ATOM 343 CZ ARG A 29 6.193 -8.318 14.159 1.00 0.00 C ATOM 344 NH1 ARG A 29 4.950 -8.673 13.950 1.00 0.00 N ATOM 345 NH2 ARG A 29 7.054 -9.188 14.618 1.00 0.00 N ATOM 0 H ARG A 29 7.417 -8.337 8.272 1.00 0.00 H new ATOM 0 HA ARG A 29 4.979 -7.382 9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.732 -7.643 10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.610 -5.974 9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.219 -5.364 11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.492 -6.954 11.756 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.026 -7.661 12.446 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.112 -5.977 12.922 1.00 0.00 H new ATOM 0 HE ARG A 29 6.283 -6.333 14.530 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.278 -7.993 13.594 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.653 -9.630 14.143 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.022 -8.910 14.782 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.758 -10.145 14.812 1.00 0.00 H new ATOM 359 N LEU A 30 5.801 -4.835 8.663 1.00 0.00 N ATOM 360 CA LEU A 30 5.544 -3.708 7.720 1.00 0.00 C ATOM 361 C LEU A 30 6.812 -2.854 7.555 1.00 0.00 C ATOM 362 O LEU A 30 7.655 -2.806 8.434 1.00 0.00 O ATOM 363 CB LEU A 30 4.386 -2.918 8.364 1.00 0.00 C ATOM 364 CG LEU A 30 4.907 -1.735 9.193 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.440 -0.422 8.558 1.00 0.00 C ATOM 366 CD2 LEU A 30 4.357 -1.835 10.618 1.00 0.00 C ATOM 0 H LEU A 30 6.100 -4.558 9.598 1.00 0.00 H new ATOM 0 HA LEU A 30 5.282 -4.041 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.716 -2.552 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.801 -3.581 9.001 1.00 0.00 H new ATOM 0 HG LEU A 30 5.996 -1.759 9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.809 0.418 9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.827 -0.352 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.351 -0.397 8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.725 -0.997 11.210 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.268 -1.809 10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.686 -2.770 11.070 1.00 0.00 H new ATOM 378 N ILE A 31 6.952 -2.181 6.439 1.00 0.00 N ATOM 379 CA ILE A 31 8.166 -1.329 6.221 1.00 0.00 C ATOM 380 C ILE A 31 7.755 0.133 6.039 1.00 0.00 C ATOM 381 O ILE A 31 6.653 0.434 5.621 1.00 0.00 O ATOM 382 CB ILE A 31 8.833 -1.855 4.940 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.045 -3.372 5.034 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.190 -1.167 4.731 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.755 -3.739 6.341 1.00 0.00 C ATOM 0 H ILE A 31 6.281 -2.184 5.671 1.00 0.00 H new ATOM 0 HA ILE A 31 8.846 -1.377 7.072 1.00 0.00 H new ATOM 0 HB ILE A 31 8.179 -1.634 4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.083 -3.883 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.636 -3.715 4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.654 -1.547 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.042 -0.091 4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.838 -1.374 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.896 -4.819 6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.726 -3.245 6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.149 -3.415 7.187 1.00 0.00 H new ATOM 397 N LYS A 32 8.640 1.039 6.351 1.00 0.00 N ATOM 398 CA LYS A 32 8.325 2.495 6.202 1.00 0.00 C ATOM 399 C LYS A 32 8.994 3.059 4.943 1.00 0.00 C ATOM 400 O LYS A 32 10.138 2.763 4.652 1.00 0.00 O ATOM 401 CB LYS A 32 8.893 3.165 7.459 1.00 0.00 C ATOM 402 CG LYS A 32 8.296 2.532 8.725 1.00 0.00 C ATOM 403 CD LYS A 32 6.792 2.301 8.540 1.00 0.00 C ATOM 404 CE LYS A 32 6.052 2.653 9.835 1.00 0.00 C ATOM 405 NZ LYS A 32 5.355 3.940 9.548 1.00 0.00 N ATOM 0 H LYS A 32 9.575 0.836 6.705 1.00 0.00 H new ATOM 0 HA LYS A 32 7.254 2.672 6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.978 3.064 7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.672 4.232 7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.794 1.586 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.469 3.182 9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.419 2.913 7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.604 1.261 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.342 1.872 10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.746 2.758 10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.826 4.244 10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.056 4.666 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.696 3.808 8.755 1.00 0.00 H new ATOM 419 N THR A 33 8.282 3.866 4.194 1.00 0.00 N ATOM 420 CA THR A 33 8.862 4.453 2.945 1.00 0.00 C ATOM 421 C THR A 33 8.762 5.989 2.995 1.00 0.00 C ATOM 422 O THR A 33 7.868 6.528 3.622 1.00 0.00 O ATOM 423 CB THR A 33 7.996 3.877 1.824 1.00 0.00 C ATOM 424 OG1 THR A 33 7.829 2.477 2.020 1.00 0.00 O ATOM 425 CG2 THR A 33 8.674 4.113 0.484 1.00 0.00 C ATOM 0 H THR A 33 7.321 4.144 4.394 1.00 0.00 H new ATOM 0 HA THR A 33 9.917 4.216 2.807 1.00 0.00 H new ATOM 0 HB THR A 33 7.023 4.368 1.836 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.082 2.320 2.634 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.056 3.702 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.806 5.183 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.648 3.623 0.478 1.00 0.00 H new ATOM 433 N TRP A 34 9.679 6.704 2.360 1.00 0.00 N ATOM 434 CA TRP A 34 9.619 8.212 2.417 1.00 0.00 C ATOM 435 C TRP A 34 10.097 8.875 1.110 1.00 0.00 C ATOM 436 O TRP A 34 10.749 9.903 1.148 1.00 0.00 O ATOM 437 CB TRP A 34 10.562 8.631 3.556 1.00 0.00 C ATOM 438 CG TRP A 34 10.483 7.675 4.699 1.00 0.00 C ATOM 439 CD1 TRP A 34 9.584 7.739 5.701 1.00 0.00 C ATOM 440 CD2 TRP A 34 11.320 6.516 4.967 1.00 0.00 C ATOM 441 NE1 TRP A 34 9.821 6.695 6.579 1.00 0.00 N ATOM 442 CE2 TRP A 34 10.885 5.915 6.169 1.00 0.00 C ATOM 443 CE3 TRP A 34 12.406 5.941 4.290 1.00 0.00 C ATOM 444 CZ2 TRP A 34 11.508 4.778 6.683 1.00 0.00 C ATOM 445 CZ3 TRP A 34 13.036 4.795 4.802 1.00 0.00 C ATOM 446 CH2 TRP A 34 12.590 4.216 5.998 1.00 0.00 C ATOM 0 H TRP A 34 10.450 6.317 1.816 1.00 0.00 H new ATOM 0 HA TRP A 34 8.588 8.529 2.572 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.586 8.676 3.186 1.00 0.00 H new ATOM 0 HB3 TRP A 34 10.302 9.633 3.897 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.807 8.482 5.802 1.00 0.00 H new ATOM 0 HE1 TRP A 34 9.277 6.523 7.424 1.00 0.00 H new ATOM 0 HE3 TRP A 34 12.760 6.382 3.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 11.157 4.335 7.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 13.869 4.357 4.271 1.00 0.00 H new ATOM 0 HH2 TRP A 34 13.081 3.337 6.390 1.00 0.00 H new ATOM 457 N SER A 35 9.785 8.329 -0.038 1.00 0.00 N ATOM 458 CA SER A 35 10.244 8.980 -1.308 1.00 0.00 C ATOM 459 C SER A 35 9.099 9.791 -1.950 1.00 0.00 C ATOM 460 O SER A 35 8.853 10.921 -1.572 1.00 0.00 O ATOM 461 CB SER A 35 10.703 7.836 -2.213 1.00 0.00 C ATOM 462 OG SER A 35 12.096 7.623 -2.024 1.00 0.00 O ATOM 0 H SER A 35 9.241 7.474 -0.154 1.00 0.00 H new ATOM 0 HA SER A 35 11.053 9.690 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.149 6.927 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.498 8.076 -3.256 1.00 0.00 H new ATOM 0 HG SER A 35 12.455 7.116 -2.782 1.00 0.00 H new ATOM 468 N ARG A 36 8.403 9.231 -2.916 1.00 0.00 N ATOM 469 CA ARG A 36 7.280 9.970 -3.582 1.00 0.00 C ATOM 470 C ARG A 36 6.495 9.003 -4.475 1.00 0.00 C ATOM 471 O ARG A 36 5.318 8.773 -4.271 1.00 0.00 O ATOM 472 CB ARG A 36 7.951 11.064 -4.425 1.00 0.00 C ATOM 473 CG ARG A 36 7.283 12.412 -4.143 1.00 0.00 C ATOM 474 CD ARG A 36 6.001 12.537 -4.975 1.00 0.00 C ATOM 475 NE ARG A 36 5.171 13.554 -4.266 1.00 0.00 N ATOM 476 CZ ARG A 36 3.997 13.883 -4.738 1.00 0.00 C ATOM 477 NH1 ARG A 36 3.827 15.045 -5.313 1.00 0.00 N ATOM 478 NH2 ARG A 36 2.993 13.050 -4.633 1.00 0.00 N ATOM 0 H ARG A 36 8.566 8.289 -3.272 1.00 0.00 H new ATOM 0 HA ARG A 36 6.579 10.398 -2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.014 11.117 -4.190 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.870 10.821 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.049 12.498 -3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.967 13.226 -4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.223 12.852 -5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.481 11.582 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 36 5.519 13.992 -3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.610 15.694 -5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.911 15.303 -5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.127 12.144 -4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.077 13.306 -5.001 1.00 0.00 H new ATOM 492 N ARG A 37 7.152 8.414 -5.446 1.00 0.00 N ATOM 493 CA ARG A 37 6.468 7.427 -6.339 1.00 0.00 C ATOM 494 C ARG A 37 6.872 6.007 -5.914 1.00 0.00 C ATOM 495 O ARG A 37 7.031 5.117 -6.729 1.00 0.00 O ATOM 496 CB ARG A 37 6.957 7.749 -7.761 1.00 0.00 C ATOM 497 CG ARG A 37 8.473 7.531 -7.866 1.00 0.00 C ATOM 498 CD ARG A 37 9.172 8.879 -8.071 1.00 0.00 C ATOM 499 NE ARG A 37 10.542 8.536 -8.548 1.00 0.00 N ATOM 500 CZ ARG A 37 10.865 8.720 -9.800 1.00 0.00 C ATOM 501 NH1 ARG A 37 10.705 7.753 -10.667 1.00 0.00 N ATOM 502 NH2 ARG A 37 11.349 9.873 -10.187 1.00 0.00 N ATOM 0 H ARG A 37 8.136 8.576 -5.659 1.00 0.00 H new ATOM 0 HA ARG A 37 5.381 7.485 -6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.441 7.115 -8.482 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.713 8.781 -8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.845 7.051 -6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.698 6.863 -8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.642 9.491 -8.801 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.209 9.449 -7.143 1.00 0.00 H new ATOM 0 HE ARG A 37 11.228 8.157 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.328 6.855 -10.365 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.958 7.898 -11.645 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.474 10.627 -9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.602 10.018 -11.165 1.00 0.00 H new ATOM 516 N SER A 38 7.051 5.813 -4.627 1.00 0.00 N ATOM 517 CA SER A 38 7.461 4.486 -4.080 1.00 0.00 C ATOM 518 C SER A 38 6.553 3.356 -4.588 1.00 0.00 C ATOM 519 O SER A 38 5.348 3.499 -4.676 1.00 0.00 O ATOM 520 CB SER A 38 7.332 4.658 -2.565 1.00 0.00 C ATOM 521 OG SER A 38 8.549 5.187 -2.058 1.00 0.00 O ATOM 0 H SER A 38 6.926 6.538 -3.920 1.00 0.00 H new ATOM 0 HA SER A 38 8.467 4.205 -4.390 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.504 5.326 -2.330 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.112 3.700 -2.094 1.00 0.00 H new ATOM 0 HG SER A 38 9.241 5.137 -2.750 1.00 0.00 H new ATOM 527 N THR A 39 7.143 2.233 -4.921 1.00 0.00 N ATOM 528 CA THR A 39 6.355 1.068 -5.431 1.00 0.00 C ATOM 529 C THR A 39 6.809 -0.219 -4.723 1.00 0.00 C ATOM 530 O THR A 39 7.841 -0.247 -4.081 1.00 0.00 O ATOM 531 CB THR A 39 6.680 1.012 -6.934 1.00 0.00 C ATOM 532 OG1 THR A 39 5.940 2.018 -7.612 1.00 0.00 O ATOM 533 CG2 THR A 39 6.317 -0.362 -7.507 1.00 0.00 C ATOM 0 H THR A 39 8.149 2.073 -4.860 1.00 0.00 H new ATOM 0 HA THR A 39 5.285 1.166 -5.249 1.00 0.00 H new ATOM 0 HB THR A 39 7.748 1.180 -7.073 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.164 1.613 -8.052 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.553 -0.386 -8.571 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.888 -1.134 -6.991 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.252 -0.545 -7.367 1.00 0.00 H new ATOM 541 N ILE A 40 6.048 -1.282 -4.833 1.00 0.00 N ATOM 542 CA ILE A 40 6.452 -2.563 -4.165 1.00 0.00 C ATOM 543 C ILE A 40 7.391 -3.371 -5.072 1.00 0.00 C ATOM 544 O ILE A 40 7.458 -3.159 -6.269 1.00 0.00 O ATOM 545 CB ILE A 40 5.150 -3.330 -3.921 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.210 -2.483 -3.057 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.444 -4.647 -3.199 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.260 -1.695 -3.951 1.00 0.00 C ATOM 0 H ILE A 40 5.171 -1.320 -5.352 1.00 0.00 H new ATOM 0 HA ILE A 40 6.991 -2.379 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 40 4.680 -3.542 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.642 -3.125 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.789 -1.801 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.511 -5.185 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.109 -5.257 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.921 -4.438 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.593 -1.094 -3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.835 -1.041 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.671 -2.386 -4.554 1.00 0.00 H new ATOM 560 N VAL A 41 8.109 -4.302 -4.498 1.00 0.00 N ATOM 561 CA VAL A 41 9.052 -5.154 -5.293 1.00 0.00 C ATOM 562 C VAL A 41 9.007 -6.585 -4.779 1.00 0.00 C ATOM 563 O VAL A 41 8.346 -6.871 -3.798 1.00 0.00 O ATOM 564 CB VAL A 41 10.463 -4.559 -5.094 1.00 0.00 C ATOM 565 CG1 VAL A 41 10.760 -3.562 -6.216 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.576 -3.845 -3.743 1.00 0.00 C ATOM 0 H VAL A 41 8.083 -4.513 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 41 8.782 -5.168 -6.349 1.00 0.00 H new ATOM 0 HB VAL A 41 11.184 -5.376 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.756 -3.142 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.714 -4.072 -7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.022 -2.760 -6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.580 -3.436 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.847 -3.036 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.381 -4.555 -2.939 1.00 0.00 H new ATOM 576 N PRO A 42 9.734 -7.440 -5.448 1.00 0.00 N ATOM 577 CA PRO A 42 9.798 -8.860 -5.035 1.00 0.00 C ATOM 578 C PRO A 42 10.416 -8.961 -3.639 1.00 0.00 C ATOM 579 O PRO A 42 10.107 -9.854 -2.871 1.00 0.00 O ATOM 580 CB PRO A 42 10.681 -9.491 -6.102 1.00 0.00 C ATOM 581 CG PRO A 42 11.486 -8.362 -6.647 1.00 0.00 C ATOM 582 CD PRO A 42 10.568 -7.179 -6.631 1.00 0.00 C ATOM 0 HA PRO A 42 8.829 -9.353 -4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.321 -10.265 -5.679 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.083 -9.963 -6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.372 -8.181 -6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.832 -8.578 -7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.116 -6.241 -6.542 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.972 -7.115 -7.542 1.00 0.00 H new ATOM 590 N GLU A 43 11.265 -8.025 -3.303 1.00 0.00 N ATOM 591 CA GLU A 43 11.895 -8.012 -1.952 1.00 0.00 C ATOM 592 C GLU A 43 10.845 -7.738 -0.860 1.00 0.00 C ATOM 593 O GLU A 43 11.133 -7.865 0.314 1.00 0.00 O ATOM 594 CB GLU A 43 12.903 -6.861 -1.993 1.00 0.00 C ATOM 595 CG GLU A 43 14.327 -7.415 -1.992 1.00 0.00 C ATOM 596 CD GLU A 43 15.319 -6.271 -1.750 1.00 0.00 C ATOM 597 OE1 GLU A 43 15.293 -5.706 -0.667 1.00 0.00 O ATOM 598 OE2 GLU A 43 16.086 -5.979 -2.652 1.00 0.00 O ATOM 0 H GLU A 43 11.551 -7.261 -3.915 1.00 0.00 H new ATOM 0 HA GLU A 43 12.359 -8.970 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.740 -6.255 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.757 -6.208 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.433 -8.173 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.541 -7.901 -2.944 1.00 0.00 H new ATOM 605 N MET A 44 9.635 -7.348 -1.222 1.00 0.00 N ATOM 606 CA MET A 44 8.609 -7.061 -0.171 1.00 0.00 C ATOM 607 C MET A 44 7.211 -7.566 -0.566 1.00 0.00 C ATOM 608 O MET A 44 6.225 -6.876 -0.377 1.00 0.00 O ATOM 609 CB MET A 44 8.616 -5.536 0.005 1.00 0.00 C ATOM 610 CG MET A 44 8.220 -4.853 -1.302 1.00 0.00 C ATOM 611 SD MET A 44 7.382 -3.289 -0.943 1.00 0.00 S ATOM 612 CE MET A 44 8.650 -2.187 -1.612 1.00 0.00 C ATOM 0 H MET A 44 9.324 -7.220 -2.185 1.00 0.00 H new ATOM 0 HA MET A 44 8.849 -7.581 0.756 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.924 -5.251 0.797 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.607 -5.203 0.312 1.00 0.00 H new ATOM 0 HG2 MET A 44 9.105 -4.671 -1.911 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.564 -5.504 -1.880 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.501 -1.181 -1.220 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.636 -2.548 -1.320 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.578 -2.167 -2.699 1.00 0.00 H new ATOM 622 N VAL A 45 7.103 -8.764 -1.095 1.00 0.00 N ATOM 623 CA VAL A 45 5.764 -9.292 -1.474 1.00 0.00 C ATOM 624 C VAL A 45 5.136 -10.086 -0.312 1.00 0.00 C ATOM 625 O VAL A 45 4.341 -10.982 -0.521 1.00 0.00 O ATOM 626 CB VAL A 45 6.015 -10.190 -2.684 1.00 0.00 C ATOM 627 CG1 VAL A 45 4.694 -10.417 -3.395 1.00 0.00 C ATOM 628 CG2 VAL A 45 6.990 -9.512 -3.646 1.00 0.00 C ATOM 0 H VAL A 45 7.885 -9.392 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 45 5.062 -8.491 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 45 6.442 -11.138 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.853 -11.057 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.992 -10.898 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.286 -9.460 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.163 -10.160 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.569 -8.565 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.935 -9.327 -3.136 1.00 0.00 H new ATOM 638 N GLY A 46 5.482 -9.758 0.906 1.00 0.00 N ATOM 639 CA GLY A 46 4.904 -10.472 2.085 1.00 0.00 C ATOM 640 C GLY A 46 4.877 -9.528 3.296 1.00 0.00 C ATOM 641 O GLY A 46 4.904 -9.969 4.428 1.00 0.00 O ATOM 0 H GLY A 46 6.146 -9.019 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.895 -10.815 1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.498 -11.357 2.314 1.00 0.00 H new ATOM 645 N HIS A 47 4.848 -8.232 3.069 1.00 0.00 N ATOM 646 CA HIS A 47 4.848 -7.265 4.213 1.00 0.00 C ATOM 647 C HIS A 47 3.889 -6.102 3.934 1.00 0.00 C ATOM 648 O HIS A 47 3.450 -5.906 2.818 1.00 0.00 O ATOM 649 CB HIS A 47 6.294 -6.733 4.310 1.00 0.00 C ATOM 650 CG HIS A 47 7.297 -7.842 4.096 1.00 0.00 C ATOM 651 ND1 HIS A 47 7.898 -8.507 5.154 1.00 0.00 N ATOM 652 CD2 HIS A 47 7.818 -8.408 2.953 1.00 0.00 C ATOM 653 CE1 HIS A 47 8.737 -9.421 4.634 1.00 0.00 C ATOM 654 NE2 HIS A 47 8.726 -9.404 3.299 1.00 0.00 N ATOM 0 H HIS A 47 4.824 -7.806 2.143 1.00 0.00 H new ATOM 0 HA HIS A 47 4.523 -7.744 5.137 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.448 -5.951 3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.453 -6.279 5.288 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.561 -8.122 1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.346 -10.088 5.225 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.267 -9.995 2.668 1.00 0.00 H new ATOM 662 N THR A 48 3.594 -5.307 4.936 1.00 0.00 N ATOM 663 CA THR A 48 2.697 -4.132 4.739 1.00 0.00 C ATOM 664 C THR A 48 3.597 -2.908 4.586 1.00 0.00 C ATOM 665 O THR A 48 3.865 -2.184 5.526 1.00 0.00 O ATOM 666 CB THR A 48 1.830 -4.036 6.010 1.00 0.00 C ATOM 667 OG1 THR A 48 1.827 -5.282 6.699 1.00 0.00 O ATOM 668 CG2 THR A 48 0.396 -3.670 5.629 1.00 0.00 C ATOM 0 H THR A 48 3.941 -5.426 5.888 1.00 0.00 H new ATOM 0 HA THR A 48 2.054 -4.210 3.862 1.00 0.00 H new ATOM 0 HB THR A 48 2.247 -3.267 6.660 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.241 -5.913 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.214 -3.603 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.390 -2.709 5.115 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.012 -4.437 4.970 1.00 0.00 H new ATOM 676 N ILE A 49 4.107 -2.711 3.404 1.00 0.00 N ATOM 677 CA ILE A 49 5.045 -1.576 3.166 1.00 0.00 C ATOM 678 C ILE A 49 4.285 -0.268 3.002 1.00 0.00 C ATOM 679 O ILE A 49 3.583 -0.071 2.028 1.00 0.00 O ATOM 680 CB ILE A 49 5.779 -1.947 1.875 1.00 0.00 C ATOM 681 CG1 ILE A 49 6.441 -3.330 2.061 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.822 -0.870 1.547 1.00 0.00 C ATOM 683 CD1 ILE A 49 7.965 -3.216 2.153 1.00 0.00 C ATOM 0 H ILE A 49 3.914 -3.290 2.586 1.00 0.00 H new ATOM 0 HA ILE A 49 5.729 -1.424 4.001 1.00 0.00 H new ATOM 0 HB ILE A 49 5.080 -2.001 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.055 -3.800 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.173 -3.978 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.343 -1.136 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.324 0.091 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.540 -0.799 2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.397 -4.208 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.352 -2.769 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.232 -2.589 3.004 1.00 0.00 H new ATOM 695 N ALA A 50 4.431 0.636 3.938 1.00 0.00 N ATOM 696 CA ALA A 50 3.727 1.940 3.809 1.00 0.00 C ATOM 697 C ALA A 50 4.480 2.812 2.818 1.00 0.00 C ATOM 698 O ALA A 50 5.264 3.672 3.185 1.00 0.00 O ATOM 699 CB ALA A 50 3.691 2.566 5.200 1.00 0.00 C ATOM 0 H ALA A 50 5.002 0.526 4.776 1.00 0.00 H new ATOM 0 HA ALA A 50 2.709 1.824 3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.181 3.528 5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.156 1.905 5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.710 2.712 5.560 1.00 0.00 H new ATOM 705 N VAL A 51 4.246 2.569 1.554 1.00 0.00 N ATOM 706 CA VAL A 51 4.937 3.351 0.487 1.00 0.00 C ATOM 707 C VAL A 51 4.648 4.841 0.665 1.00 0.00 C ATOM 708 O VAL A 51 3.533 5.236 0.955 1.00 0.00 O ATOM 709 CB VAL A 51 4.369 2.844 -0.849 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.657 1.346 -1.001 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.854 3.082 -0.905 1.00 0.00 C ATOM 0 H VAL A 51 3.600 1.856 1.214 1.00 0.00 H new ATOM 0 HA VAL A 51 6.019 3.222 0.527 1.00 0.00 H new ATOM 0 HB VAL A 51 4.846 3.390 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.252 0.992 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.734 1.179 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.190 0.801 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.464 2.719 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.371 2.548 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.650 4.149 -0.813 1.00 0.00 H new ATOM 721 N TYR A 52 5.638 5.670 0.493 1.00 0.00 N ATOM 722 CA TYR A 52 5.408 7.126 0.648 1.00 0.00 C ATOM 723 C TYR A 52 4.784 7.670 -0.636 1.00 0.00 C ATOM 724 O TYR A 52 5.438 7.785 -1.655 1.00 0.00 O ATOM 725 CB TYR A 52 6.790 7.739 0.900 1.00 0.00 C ATOM 726 CG TYR A 52 6.633 9.098 1.538 1.00 0.00 C ATOM 727 CD1 TYR A 52 6.228 9.201 2.874 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.898 10.253 0.797 1.00 0.00 C ATOM 729 CE1 TYR A 52 6.086 10.460 3.467 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.757 11.512 1.389 1.00 0.00 C ATOM 731 CZ TYR A 52 6.351 11.616 2.724 1.00 0.00 C ATOM 732 OH TYR A 52 6.211 12.860 3.308 1.00 0.00 O ATOM 0 H TYR A 52 6.592 5.401 0.253 1.00 0.00 H new ATOM 0 HA TYR A 52 4.728 7.363 1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.375 7.087 1.549 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.336 7.828 -0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.025 8.308 3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.212 10.173 -0.233 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.772 10.540 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.961 12.404 0.816 1.00 0.00 H new ATOM 0 HH TYR A 52 6.435 13.555 2.655 1.00 0.00 H new ATOM 742 N ASN A 53 3.520 8.009 -0.586 1.00 0.00 N ATOM 743 CA ASN A 53 2.827 8.557 -1.797 1.00 0.00 C ATOM 744 C ASN A 53 3.231 10.031 -2.023 1.00 0.00 C ATOM 745 O ASN A 53 2.589 10.756 -2.759 1.00 0.00 O ATOM 746 CB ASN A 53 1.332 8.429 -1.450 1.00 0.00 C ATOM 747 CG ASN A 53 0.469 9.168 -2.477 1.00 0.00 C ATOM 748 OD1 ASN A 53 0.199 8.656 -3.546 1.00 0.00 O ATOM 749 ND2 ASN A 53 0.020 10.363 -2.193 1.00 0.00 N ATOM 0 H ASN A 53 2.934 7.930 0.245 1.00 0.00 H new ATOM 0 HA ASN A 53 3.083 8.032 -2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.050 7.377 -1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.149 8.835 -0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.556 10.865 -2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.246 10.793 -1.296 1.00 0.00 H new ATOM 756 N GLY A 54 4.285 10.482 -1.388 1.00 0.00 N ATOM 757 CA GLY A 54 4.712 11.898 -1.546 1.00 0.00 C ATOM 758 C GLY A 54 4.369 12.653 -0.260 1.00 0.00 C ATOM 759 O GLY A 54 5.029 13.608 0.105 1.00 0.00 O ATOM 0 H GLY A 54 4.868 9.923 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.783 11.951 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.208 12.353 -2.399 1.00 0.00 H new ATOM 763 N LYS A 55 3.336 12.225 0.430 1.00 0.00 N ATOM 764 CA LYS A 55 2.934 12.899 1.698 1.00 0.00 C ATOM 765 C LYS A 55 2.494 11.875 2.756 1.00 0.00 C ATOM 766 O LYS A 55 2.561 12.140 3.942 1.00 0.00 O ATOM 767 CB LYS A 55 1.753 13.809 1.331 1.00 0.00 C ATOM 768 CG LYS A 55 0.874 13.156 0.253 1.00 0.00 C ATOM 769 CD LYS A 55 -0.491 13.847 0.219 1.00 0.00 C ATOM 770 CE LYS A 55 -1.323 13.285 -0.937 1.00 0.00 C ATOM 771 NZ LYS A 55 -2.656 13.940 -0.813 1.00 0.00 N ATOM 0 H LYS A 55 2.753 11.432 0.163 1.00 0.00 H new ATOM 0 HA LYS A 55 3.768 13.457 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.155 14.012 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.125 14.768 0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.357 13.234 -0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.750 12.094 0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.012 13.692 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.362 14.923 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.862 13.509 -1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.409 12.201 -0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.281 13.603 -1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.074 13.704 0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.544 14.971 -0.888 1.00 0.00 H new ATOM 785 N GLN A 56 1.999 10.732 2.340 1.00 0.00 N ATOM 786 CA GLN A 56 1.504 9.726 3.323 1.00 0.00 C ATOM 787 C GLN A 56 2.130 8.337 3.145 1.00 0.00 C ATOM 788 O GLN A 56 2.560 7.959 2.073 1.00 0.00 O ATOM 789 CB GLN A 56 0.010 9.653 3.027 1.00 0.00 C ATOM 790 CG GLN A 56 -0.723 10.631 3.936 1.00 0.00 C ATOM 791 CD GLN A 56 -0.634 10.158 5.398 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.313 8.913 5.670 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -0.861 10.932 6.307 1.00 0.00 N flip ATOM 0 H GLN A 56 1.918 10.456 1.361 1.00 0.00 H new ATOM 0 HA GLN A 56 1.756 10.019 4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.179 9.896 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.357 8.640 3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.288 11.626 3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.767 10.709 3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.111 11.900 6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.802 10.614 7.274 1.00 0.00 H new ATOM 802 N HIS A 57 2.133 7.568 4.210 1.00 0.00 N ATOM 803 CA HIS A 57 2.665 6.186 4.177 1.00 0.00 C ATOM 804 C HIS A 57 1.493 5.229 3.931 1.00 0.00 C ATOM 805 O HIS A 57 0.593 5.134 4.744 1.00 0.00 O ATOM 806 CB HIS A 57 3.229 5.966 5.584 1.00 0.00 C ATOM 807 CG HIS A 57 4.471 6.788 5.799 1.00 0.00 C ATOM 808 ND1 HIS A 57 4.740 8.120 5.606 1.00 0.00 N flip ATOM 809 CD2 HIS A 57 5.632 6.239 6.319 1.00 0.00 C flip ATOM 810 CE1 HIS A 57 6.044 8.396 6.000 1.00 0.00 C flip ATOM 811 NE2 HIS A 57 6.536 7.229 6.422 1.00 0.00 N flip ATOM 0 H HIS A 57 1.777 7.858 5.121 1.00 0.00 H new ATOM 0 HA HIS A 57 3.415 6.022 3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.478 6.233 6.327 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.458 4.910 5.728 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.783 5.205 6.592 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.550 9.350 5.971 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.483 7.104 6.779 1.00 0.00 H new ATOM 819 N VAL A 58 1.481 4.533 2.824 1.00 0.00 N ATOM 820 CA VAL A 58 0.348 3.590 2.547 1.00 0.00 C ATOM 821 C VAL A 58 0.814 2.149 2.795 1.00 0.00 C ATOM 822 O VAL A 58 1.338 1.512 1.901 1.00 0.00 O ATOM 823 CB VAL A 58 -0.011 3.807 1.069 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.223 2.947 0.703 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.351 5.282 0.830 1.00 0.00 C ATOM 0 H VAL A 58 2.200 4.574 2.102 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.514 3.767 3.190 1.00 0.00 H new ATOM 0 HB VAL A 58 0.840 3.524 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.476 3.102 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.986 1.896 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.071 3.229 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.605 5.431 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.200 5.565 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.509 5.900 1.087 1.00 0.00 H new ATOM 835 N PRO A 59 0.629 1.689 4.021 1.00 0.00 N ATOM 836 CA PRO A 59 1.065 0.317 4.407 1.00 0.00 C ATOM 837 C PRO A 59 0.264 -0.725 3.644 1.00 0.00 C ATOM 838 O PRO A 59 -0.777 -1.184 4.075 1.00 0.00 O ATOM 839 CB PRO A 59 0.794 0.258 5.910 1.00 0.00 C ATOM 840 CG PRO A 59 -0.267 1.282 6.138 1.00 0.00 C ATOM 841 CD PRO A 59 -0.007 2.382 5.145 1.00 0.00 C ATOM 0 HA PRO A 59 2.110 0.111 4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.460 -0.734 6.215 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.693 0.483 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.259 0.854 5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.229 1.662 7.159 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.931 2.874 4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.643 3.152 5.561 1.00 0.00 H new ATOM 849 N VAL A 60 0.761 -1.088 2.503 1.00 0.00 N ATOM 850 CA VAL A 60 0.065 -2.104 1.660 1.00 0.00 C ATOM 851 C VAL A 60 0.633 -3.493 1.930 1.00 0.00 C ATOM 852 O VAL A 60 1.752 -3.792 1.556 1.00 0.00 O ATOM 853 CB VAL A 60 0.324 -1.708 0.194 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.539 -0.498 -0.175 1.00 0.00 C ATOM 855 CG2 VAL A 60 1.805 -1.366 -0.027 1.00 0.00 C ATOM 0 H VAL A 60 1.628 -0.724 2.109 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.002 -2.132 1.882 1.00 0.00 H new ATOM 0 HB VAL A 60 0.063 -2.555 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.353 -0.221 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.592 -0.750 -0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.287 0.340 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.963 -1.090 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.086 -0.532 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.419 -2.234 0.215 1.00 0.00 H new ATOM 865 N TYR A 61 -0.125 -4.358 2.561 1.00 0.00 N ATOM 866 CA TYR A 61 0.400 -5.727 2.803 1.00 0.00 C ATOM 867 C TYR A 61 0.484 -6.448 1.465 1.00 0.00 C ATOM 868 O TYR A 61 -0.486 -7.001 0.975 1.00 0.00 O ATOM 869 CB TYR A 61 -0.575 -6.439 3.739 1.00 0.00 C ATOM 870 CG TYR A 61 0.136 -7.629 4.345 1.00 0.00 C ATOM 871 CD1 TYR A 61 0.820 -8.538 3.518 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.128 -7.819 5.730 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.486 -9.626 4.075 1.00 0.00 C ATOM 874 CE2 TYR A 61 0.796 -8.912 6.288 1.00 0.00 C ATOM 875 CZ TYR A 61 1.477 -9.817 5.462 1.00 0.00 C ATOM 876 OH TYR A 61 2.138 -10.895 6.015 1.00 0.00 O ATOM 0 H TYR A 61 -1.066 -4.175 2.911 1.00 0.00 H new ATOM 0 HA TYR A 61 1.391 -5.707 3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.915 -5.760 4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.460 -6.763 3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.829 -8.391 2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.394 -7.121 6.368 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.010 -10.323 3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.788 -9.060 7.358 1.00 0.00 H new ATOM 0 HH TYR A 61 2.033 -10.878 6.989 1.00 0.00 H new ATOM 886 N ILE A 62 1.634 -6.421 0.862 1.00 0.00 N ATOM 887 CA ILE A 62 1.801 -7.075 -0.457 1.00 0.00 C ATOM 888 C ILE A 62 1.909 -8.584 -0.311 1.00 0.00 C ATOM 889 O ILE A 62 2.742 -9.089 0.411 1.00 0.00 O ATOM 890 CB ILE A 62 3.112 -6.523 -1.019 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.020 -5.001 -1.142 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.379 -7.139 -2.398 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.060 -4.353 -0.224 1.00 0.00 C ATOM 0 H ILE A 62 2.472 -5.970 1.230 1.00 0.00 H new ATOM 0 HA ILE A 62 0.947 -6.876 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 62 3.930 -6.779 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.191 -4.698 -2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.019 -4.663 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.313 -6.745 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.453 -8.222 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.561 -6.888 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.996 -3.268 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.868 -4.647 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.058 -4.682 -0.515 1.00 0.00 H new ATOM 905 N THR A 63 1.104 -9.301 -1.037 1.00 0.00 N ATOM 906 CA THR A 63 1.189 -10.782 -1.013 1.00 0.00 C ATOM 907 C THR A 63 1.927 -11.210 -2.274 1.00 0.00 C ATOM 908 O THR A 63 1.995 -10.462 -3.231 1.00 0.00 O ATOM 909 CB THR A 63 -0.243 -11.317 -1.049 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.876 -10.911 -2.254 1.00 0.00 O ATOM 911 CG2 THR A 63 -1.029 -10.788 0.144 1.00 0.00 C ATOM 0 H THR A 63 0.384 -8.920 -1.651 1.00 0.00 H new ATOM 0 HA THR A 63 1.707 -11.156 -0.130 1.00 0.00 H new ATOM 0 HB THR A 63 -0.215 -12.406 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.793 -11.257 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.047 -11.175 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.549 -11.111 1.068 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.053 -9.699 0.110 1.00 0.00 H new ATOM 919 N GLU A 64 2.488 -12.388 -2.275 1.00 0.00 N ATOM 920 CA GLU A 64 3.246 -12.887 -3.468 1.00 0.00 C ATOM 921 C GLU A 64 2.530 -12.580 -4.806 1.00 0.00 C ATOM 922 O GLU A 64 3.154 -12.608 -5.850 1.00 0.00 O ATOM 923 CB GLU A 64 3.357 -14.406 -3.278 1.00 0.00 C ATOM 924 CG GLU A 64 1.987 -15.003 -2.928 1.00 0.00 C ATOM 925 CD GLU A 64 1.637 -16.104 -3.932 1.00 0.00 C ATOM 926 OE1 GLU A 64 1.048 -15.785 -4.951 1.00 0.00 O ATOM 927 OE2 GLU A 64 1.964 -17.249 -3.664 1.00 0.00 O ATOM 0 H GLU A 64 2.455 -13.039 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 64 4.215 -12.391 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.739 -14.866 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.071 -14.629 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.004 -15.410 -1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.224 -14.225 -2.946 1.00 0.00 H new ATOM 934 N ASN A 65 1.238 -12.307 -4.800 1.00 0.00 N ATOM 935 CA ASN A 65 0.534 -12.028 -6.098 1.00 0.00 C ATOM 936 C ASN A 65 -0.136 -10.636 -6.124 1.00 0.00 C ATOM 937 O ASN A 65 -1.126 -10.435 -6.804 1.00 0.00 O ATOM 938 CB ASN A 65 -0.510 -13.141 -6.214 1.00 0.00 C ATOM 939 CG ASN A 65 -1.558 -13.012 -5.100 1.00 0.00 C ATOM 940 OD1 ASN A 65 -2.540 -12.312 -5.252 1.00 0.00 O ATOM 941 ND2 ASN A 65 -1.391 -13.664 -3.981 1.00 0.00 N ATOM 0 H ASN A 65 0.652 -12.266 -3.966 1.00 0.00 H new ATOM 0 HA ASN A 65 1.235 -12.015 -6.933 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.997 -13.091 -7.188 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.022 -14.114 -6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.084 -13.585 -3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.568 -14.252 -3.851 1.00 0.00 H new ATOM 948 N MET A 66 0.401 -9.674 -5.413 1.00 0.00 N ATOM 949 CA MET A 66 -0.198 -8.298 -5.420 1.00 0.00 C ATOM 950 C MET A 66 0.867 -7.241 -5.774 1.00 0.00 C ATOM 951 O MET A 66 0.540 -6.138 -6.171 1.00 0.00 O ATOM 952 CB MET A 66 -0.729 -8.095 -4.003 1.00 0.00 C ATOM 953 CG MET A 66 -2.010 -8.910 -3.813 1.00 0.00 C ATOM 954 SD MET A 66 -3.356 -8.154 -4.761 1.00 0.00 S ATOM 955 CE MET A 66 -4.549 -9.500 -4.573 1.00 0.00 C ATOM 0 H MET A 66 1.229 -9.780 -4.827 1.00 0.00 H new ATOM 0 HA MET A 66 -0.986 -8.194 -6.166 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.021 -8.403 -3.275 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.929 -7.038 -3.827 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.852 -9.937 -4.142 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.274 -8.951 -2.756 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.525 -9.174 -4.933 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.218 -10.363 -5.151 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.624 -9.775 -3.521 1.00 0.00 H new ATOM 965 N VAL A 67 2.134 -7.571 -5.635 1.00 0.00 N ATOM 966 CA VAL A 67 3.233 -6.592 -5.951 1.00 0.00 C ATOM 967 C VAL A 67 3.279 -6.231 -7.445 1.00 0.00 C ATOM 968 O VAL A 67 2.751 -6.937 -8.286 1.00 0.00 O ATOM 969 CB VAL A 67 4.528 -7.315 -5.556 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.710 -8.571 -6.416 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.719 -6.379 -5.775 1.00 0.00 C ATOM 0 H VAL A 67 2.457 -8.484 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 67 3.081 -5.654 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 67 4.470 -7.603 -4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.631 -9.078 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.864 -9.242 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.764 -8.288 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.640 -6.890 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.768 -6.092 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.598 -5.487 -5.161 1.00 0.00 H new ATOM 981 N GLY A 68 3.946 -5.145 -7.774 1.00 0.00 N ATOM 982 CA GLY A 68 4.079 -4.739 -9.203 1.00 0.00 C ATOM 983 C GLY A 68 3.479 -3.350 -9.457 1.00 0.00 C ATOM 984 O GLY A 68 3.666 -2.793 -10.523 1.00 0.00 O ATOM 0 H GLY A 68 4.404 -4.524 -7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.132 -4.737 -9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.581 -5.472 -9.837 1.00 0.00 H new ATOM 988 N HIS A 69 2.749 -2.783 -8.522 1.00 0.00 N ATOM 989 CA HIS A 69 2.149 -1.445 -8.779 1.00 0.00 C ATOM 990 C HIS A 69 2.758 -0.384 -7.858 1.00 0.00 C ATOM 991 O HIS A 69 3.716 0.275 -8.211 1.00 0.00 O ATOM 992 CB HIS A 69 0.646 -1.628 -8.513 1.00 0.00 C ATOM 993 CG HIS A 69 0.075 -2.584 -9.530 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.461 -3.844 -9.931 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -1.040 -2.272 -10.292 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 -0.400 -4.304 -10.923 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -1.286 -3.319 -11.102 1.00 0.00 N flip ATOM 0 H HIS A 69 2.548 -3.187 -7.607 1.00 0.00 H new ATOM 0 HA HIS A 69 2.339 -1.097 -9.794 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.487 -2.012 -7.506 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.134 -0.667 -8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.609 -1.355 -10.245 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.361 -5.253 -11.438 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -2.055 -3.356 -11.771 1.00 0.00 H new ATOM 1005 N LYS A 70 2.197 -0.207 -6.690 1.00 0.00 N ATOM 1006 CA LYS A 70 2.712 0.816 -5.718 1.00 0.00 C ATOM 1007 C LYS A 70 1.838 0.821 -4.458 1.00 0.00 C ATOM 1008 O LYS A 70 2.299 1.061 -3.359 1.00 0.00 O ATOM 1009 CB LYS A 70 2.643 2.185 -6.422 1.00 0.00 C ATOM 1010 CG LYS A 70 1.407 2.268 -7.326 1.00 0.00 C ATOM 1011 CD LYS A 70 0.237 2.884 -6.555 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.660 3.662 -7.522 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.957 3.828 -6.805 1.00 0.00 N ATOM 0 H LYS A 70 1.390 -0.735 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 70 3.735 0.591 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.610 2.981 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.544 2.341 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.630 2.870 -8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.137 1.273 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.338 2.102 -6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.611 3.548 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.223 4.628 -7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.794 3.119 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.622 4.353 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.354 2.892 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.801 4.354 -5.922 1.00 0.00 H new ATOM 1027 N LEU A 71 0.579 0.538 -4.651 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.428 0.489 -3.538 1.00 0.00 C ATOM 1029 C LEU A 71 -1.859 0.275 -4.099 1.00 0.00 C ATOM 1030 O LEU A 71 -2.775 0.000 -3.353 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.337 1.841 -2.801 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.062 2.939 -3.588 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.436 3.201 -2.962 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.233 4.226 -3.546 1.00 0.00 C ATOM 0 H LEU A 71 0.187 0.330 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.220 -0.342 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.776 1.749 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.709 2.116 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.190 2.618 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.949 3.982 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.028 2.286 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.310 3.521 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.747 5.008 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.106 4.543 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.745 4.044 -3.992 1.00 0.00 H new ATOM 1046 N GLY A 72 -2.059 0.398 -5.404 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.416 0.204 -5.992 1.00 0.00 C ATOM 1048 C GLY A 72 -3.761 -1.286 -6.059 1.00 0.00 C ATOM 1049 O GLY A 72 -4.907 -1.651 -6.230 1.00 0.00 O ATOM 0 H GLY A 72 -1.329 0.626 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.158 0.729 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.451 0.637 -6.992 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.789 -2.149 -5.908 1.00 0.00 N ATOM 1054 CA GLU A 73 -3.078 -3.615 -5.946 1.00 0.00 C ATOM 1055 C GLU A 73 -3.473 -4.094 -4.554 1.00 0.00 C ATOM 1056 O GLU A 73 -4.018 -5.167 -4.384 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.764 -4.272 -6.363 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.713 -4.392 -7.881 1.00 0.00 C ATOM 1059 CD GLU A 73 -2.645 -5.515 -8.344 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -2.287 -6.668 -8.164 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -3.699 -5.202 -8.874 1.00 0.00 O ATOM 0 H GLU A 73 -1.810 -1.903 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.893 -3.857 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.921 -3.681 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.678 -5.258 -5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.009 -3.449 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.693 -4.597 -8.205 1.00 0.00 H new