USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 23 ASN : amide:sc= 0.5 X(o=-2.3,f=-2.3) USER MOD Set 1.2: A 47 HIS :FLIP no HE2:sc= -2.8! C(o=-4.2!,f=-2.3!) USER MOD Single : A 14 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.1) USER MOD Single : A 18 LYS NZ :NH3+ 134:sc= -0.0895 (180deg=-0.098) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0928) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0465 USER MOD Single : A 35 SER OG : rot 117:sc= 0.814 USER MOD Single : A 38 SER OG : rot 90:sc= -3.24! USER MOD Single : A 39 THR OG1 : rot 89:sc= -0.101 USER MOD Single : A 44 MET CE :methyl -160:sc= -13.5! (180deg=-14.5!) USER MOD Single : A 48 THR OG1 : rot -57:sc= 0.938 USER MOD Single : A 52 TYR OH : rot -140:sc= -0.395 USER MOD Single : A 53 ASN : amide:sc= -1.17 K(o=-1.2,f=-6.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.268 F(o=-2.2,f=-0.27) USER MOD Single : A 57 HIS : no HE2:sc= -3 X(o=-3,f=-3.2!) USER MOD Single : A 61 TYR OH : rot 87:sc= 0.428 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 65 ASN : amide:sc=-0.00254 X(o=-0.0025,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -3.64! C(o=-5.8!,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -54:sc= 0.266 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 8 8.852 4.650 -15.058 1.00 0.00 N ATOM 2 CA GLY A 8 7.759 5.524 -14.544 1.00 0.00 C ATOM 3 C GLY A 8 7.822 5.577 -13.016 1.00 0.00 C ATOM 4 O GLY A 8 8.372 6.499 -12.443 1.00 0.00 O ATOM 0 HA2 GLY A 8 7.857 6.528 -14.957 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.791 5.140 -14.865 1.00 0.00 H new ATOM 8 N VAL A 9 7.262 4.595 -12.354 1.00 0.00 N ATOM 9 CA VAL A 9 7.285 4.581 -10.858 1.00 0.00 C ATOM 10 C VAL A 9 8.642 4.075 -10.345 1.00 0.00 C ATOM 11 O VAL A 9 9.303 3.281 -10.989 1.00 0.00 O ATOM 12 CB VAL A 9 6.152 3.632 -10.433 1.00 0.00 C ATOM 13 CG1 VAL A 9 4.809 4.173 -10.931 1.00 0.00 C ATOM 14 CG2 VAL A 9 6.384 2.229 -11.012 1.00 0.00 C ATOM 0 H VAL A 9 6.789 3.801 -12.786 1.00 0.00 H new ATOM 0 HA VAL A 9 7.145 5.579 -10.443 1.00 0.00 H new ATOM 0 HB VAL A 9 6.140 3.569 -9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.009 3.497 -10.627 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.633 5.160 -10.502 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.828 4.248 -12.018 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.574 1.569 -10.702 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.411 2.284 -12.100 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.332 1.836 -10.645 1.00 0.00 H new ATOM 24 N PHE A 10 9.058 4.537 -9.192 1.00 0.00 N ATOM 25 CA PHE A 10 10.369 4.097 -8.624 1.00 0.00 C ATOM 26 C PHE A 10 10.138 3.228 -7.380 1.00 0.00 C ATOM 27 O PHE A 10 9.157 3.378 -6.682 1.00 0.00 O ATOM 28 CB PHE A 10 11.107 5.412 -8.294 1.00 0.00 C ATOM 29 CG PHE A 10 11.368 5.544 -6.807 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.349 5.990 -5.956 1.00 0.00 C ATOM 31 CD2 PHE A 10 12.629 5.226 -6.282 1.00 0.00 C ATOM 32 CE1 PHE A 10 10.589 6.119 -4.584 1.00 0.00 C ATOM 33 CE2 PHE A 10 12.867 5.355 -4.911 1.00 0.00 C ATOM 34 CZ PHE A 10 11.849 5.802 -4.061 1.00 0.00 C ATOM 0 H PHE A 10 8.543 5.204 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 10 10.952 3.481 -9.308 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.053 5.445 -8.835 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.514 6.260 -8.637 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.377 6.234 -6.359 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.416 4.882 -6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.803 6.463 -3.928 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.838 5.109 -4.507 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.035 5.902 -3.002 1.00 0.00 H new ATOM 44 N VAL A 11 11.041 2.327 -7.097 1.00 0.00 N ATOM 45 CA VAL A 11 10.880 1.457 -5.896 1.00 0.00 C ATOM 46 C VAL A 11 11.749 2.006 -4.769 1.00 0.00 C ATOM 47 O VAL A 11 12.964 1.959 -4.841 1.00 0.00 O ATOM 48 CB VAL A 11 11.357 0.065 -6.326 1.00 0.00 C ATOM 49 CG1 VAL A 11 11.334 -0.881 -5.121 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.433 -0.486 -7.416 1.00 0.00 C ATOM 0 H VAL A 11 11.883 2.156 -7.646 1.00 0.00 H new ATOM 0 HA VAL A 11 9.852 1.420 -5.535 1.00 0.00 H new ATOM 0 HB VAL A 11 12.373 0.141 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.673 -1.870 -5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.994 -0.496 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.318 -0.951 -4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.776 -1.475 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.416 -0.557 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.448 0.182 -8.277 1.00 0.00 H new ATOM 60 N ASP A 12 11.140 2.548 -3.744 1.00 0.00 N ATOM 61 CA ASP A 12 11.930 3.125 -2.620 1.00 0.00 C ATOM 62 C ASP A 12 13.016 2.155 -2.148 1.00 0.00 C ATOM 63 O ASP A 12 12.737 1.132 -1.557 1.00 0.00 O ATOM 64 CB ASP A 12 10.922 3.394 -1.499 1.00 0.00 C ATOM 65 CG ASP A 12 11.629 4.077 -0.323 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.176 5.148 -0.524 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.608 3.518 0.759 1.00 0.00 O ATOM 0 H ASP A 12 10.128 2.615 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 12 12.445 4.035 -2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.114 4.026 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.470 2.458 -1.171 1.00 0.00 H new ATOM 72 N ASP A 13 14.256 2.495 -2.393 1.00 0.00 N ATOM 73 CA ASP A 13 15.380 1.632 -1.954 1.00 0.00 C ATOM 74 C ASP A 13 15.463 1.654 -0.426 1.00 0.00 C ATOM 75 O ASP A 13 15.979 0.743 0.195 1.00 0.00 O ATOM 76 CB ASP A 13 16.626 2.269 -2.571 1.00 0.00 C ATOM 77 CG ASP A 13 17.773 1.255 -2.577 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.866 0.502 -3.532 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.537 1.248 -1.625 1.00 0.00 O ATOM 0 H ASP A 13 14.535 3.344 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 13 15.266 0.592 -2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.413 2.598 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.913 3.154 -2.003 1.00 0.00 H new ATOM 84 N HIS A 14 14.946 2.698 0.176 1.00 0.00 N ATOM 85 CA HIS A 14 14.969 2.815 1.658 1.00 0.00 C ATOM 86 C HIS A 14 14.099 1.723 2.297 1.00 0.00 C ATOM 87 O HIS A 14 14.364 1.275 3.396 1.00 0.00 O ATOM 88 CB HIS A 14 14.404 4.211 1.941 1.00 0.00 C ATOM 89 CG HIS A 14 15.309 4.940 2.896 1.00 0.00 C ATOM 90 ND1 HIS A 14 16.641 5.194 2.606 1.00 0.00 N ATOM 91 CD2 HIS A 14 15.088 5.476 4.140 1.00 0.00 C ATOM 92 CE1 HIS A 14 17.165 5.853 3.655 1.00 0.00 C ATOM 93 NE2 HIS A 14 16.261 6.051 4.618 1.00 0.00 N ATOM 0 H HIS A 14 14.505 3.481 -0.307 1.00 0.00 H new ATOM 0 HA HIS A 14 15.968 2.688 2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.313 4.772 1.011 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.403 4.130 2.364 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.146 5.455 4.668 1.00 0.00 H new ATOM 0 HE1 HIS A 14 18.192 6.182 3.712 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.401 6.522 5.512 1.00 0.00 H new ATOM 101 N LEU A 15 13.082 1.273 1.603 1.00 0.00 N ATOM 102 CA LEU A 15 12.217 0.190 2.150 1.00 0.00 C ATOM 103 C LEU A 15 12.952 -1.139 1.986 1.00 0.00 C ATOM 104 O LEU A 15 12.900 -2.002 2.839 1.00 0.00 O ATOM 105 CB LEU A 15 10.925 0.243 1.312 1.00 0.00 C ATOM 106 CG LEU A 15 11.000 -0.691 0.096 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.624 -2.117 0.504 1.00 0.00 C ATOM 108 CD2 LEU A 15 10.032 -0.194 -0.982 1.00 0.00 C ATOM 0 H LEU A 15 12.816 1.612 0.679 1.00 0.00 H new ATOM 0 HA LEU A 15 11.985 0.303 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.075 -0.037 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.751 1.265 0.976 1.00 0.00 H new ATOM 0 HG LEU A 15 12.018 -0.692 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.680 -2.771 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.315 -2.471 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.608 -2.126 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.082 -0.854 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.017 -0.191 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.308 0.817 -1.281 1.00 0.00 H new ATOM 120 N LEU A 16 13.647 -1.285 0.887 1.00 0.00 N ATOM 121 CA LEU A 16 14.417 -2.532 0.628 1.00 0.00 C ATOM 122 C LEU A 16 15.471 -2.727 1.712 1.00 0.00 C ATOM 123 O LEU A 16 15.638 -3.811 2.234 1.00 0.00 O ATOM 124 CB LEU A 16 15.087 -2.332 -0.729 1.00 0.00 C ATOM 125 CG LEU A 16 14.173 -2.898 -1.805 1.00 0.00 C ATOM 126 CD1 LEU A 16 13.130 -1.850 -2.167 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.995 -3.265 -3.041 1.00 0.00 C ATOM 0 H LEU A 16 13.712 -0.582 0.151 1.00 0.00 H new ATOM 0 HA LEU A 16 13.775 -3.413 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.272 -1.273 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 16 16.055 -2.833 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 16 13.677 -3.795 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.469 -2.246 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.545 -1.598 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.628 -0.955 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.336 -3.670 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.494 -2.375 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.742 -4.012 -2.773 1.00 0.00 H new ATOM 139 N GLU A 17 16.172 -1.674 2.061 1.00 0.00 N ATOM 140 CA GLU A 17 17.217 -1.780 3.130 1.00 0.00 C ATOM 141 C GLU A 17 16.610 -2.380 4.412 1.00 0.00 C ATOM 142 O GLU A 17 17.304 -2.983 5.210 1.00 0.00 O ATOM 143 CB GLU A 17 17.719 -0.341 3.350 1.00 0.00 C ATOM 144 CG GLU A 17 17.166 0.233 4.659 1.00 0.00 C ATOM 145 CD GLU A 17 17.580 1.700 4.796 1.00 0.00 C ATOM 146 OE1 GLU A 17 18.681 1.942 5.264 1.00 0.00 O ATOM 147 OE2 GLU A 17 16.790 2.555 4.433 1.00 0.00 O ATOM 0 H GLU A 17 16.066 -0.746 1.652 1.00 0.00 H new ATOM 0 HA GLU A 17 18.038 -2.440 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.809 -0.331 3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.413 0.288 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.079 0.149 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.541 -0.341 5.506 1.00 0.00 H new ATOM 154 N LYS A 18 15.319 -2.231 4.601 1.00 0.00 N ATOM 155 CA LYS A 18 14.660 -2.799 5.815 1.00 0.00 C ATOM 156 C LYS A 18 13.924 -4.103 5.464 1.00 0.00 C ATOM 157 O LYS A 18 13.781 -4.980 6.294 1.00 0.00 O ATOM 158 CB LYS A 18 13.663 -1.729 6.267 1.00 0.00 C ATOM 159 CG LYS A 18 14.312 -0.830 7.322 1.00 0.00 C ATOM 160 CD LYS A 18 13.621 0.537 7.328 1.00 0.00 C ATOM 161 CE LYS A 18 14.525 1.572 6.652 1.00 0.00 C ATOM 162 NZ LYS A 18 13.605 2.640 6.170 1.00 0.00 N ATOM 0 H LYS A 18 14.694 -1.738 3.963 1.00 0.00 H new ATOM 0 HA LYS A 18 15.381 -3.041 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.344 -1.132 5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.770 -2.201 6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.234 -1.292 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.374 -0.711 7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.667 0.476 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.404 0.842 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.259 1.971 7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.081 1.129 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.993 3.572 6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.506 2.573 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.673 2.522 6.616 1.00 0.00 H new ATOM 176 N VAL A 19 13.450 -4.231 4.245 1.00 0.00 N ATOM 177 CA VAL A 19 12.714 -5.471 3.844 1.00 0.00 C ATOM 178 C VAL A 19 13.675 -6.640 3.613 1.00 0.00 C ATOM 179 O VAL A 19 13.362 -7.772 3.927 1.00 0.00 O ATOM 180 CB VAL A 19 11.991 -5.109 2.546 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.914 -5.327 1.344 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.754 -5.994 2.409 1.00 0.00 C ATOM 0 H VAL A 19 13.542 -3.528 3.511 1.00 0.00 H new ATOM 0 HA VAL A 19 12.024 -5.793 4.624 1.00 0.00 H new ATOM 0 HB VAL A 19 11.700 -4.059 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.386 -5.065 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.798 -4.698 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.216 -6.373 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.229 -5.745 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.057 -7.041 2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.092 -5.828 3.259 1.00 0.00 H new ATOM 192 N LEU A 20 14.845 -6.379 3.081 1.00 0.00 N ATOM 193 CA LEU A 20 15.820 -7.485 2.855 1.00 0.00 C ATOM 194 C LEU A 20 16.187 -8.068 4.212 1.00 0.00 C ATOM 195 O LEU A 20 16.478 -9.243 4.340 1.00 0.00 O ATOM 196 CB LEU A 20 17.036 -6.863 2.147 1.00 0.00 C ATOM 197 CG LEU A 20 17.771 -5.887 3.072 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.882 -6.624 3.827 1.00 0.00 C ATOM 199 CD2 LEU A 20 18.389 -4.771 2.230 1.00 0.00 C ATOM 0 H LEU A 20 15.163 -5.453 2.796 1.00 0.00 H new ATOM 0 HA LEU A 20 15.421 -8.291 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.718 -7.651 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.710 -6.341 1.247 1.00 0.00 H new ATOM 0 HG LEU A 20 17.066 -5.467 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.401 -5.925 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.447 -7.426 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.590 -7.045 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.914 -4.072 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.092 -5.200 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.602 -4.244 1.691 1.00 0.00 H new ATOM 211 N GLU A 21 16.127 -7.251 5.238 1.00 0.00 N ATOM 212 CA GLU A 21 16.417 -7.746 6.601 1.00 0.00 C ATOM 213 C GLU A 21 15.255 -8.635 7.059 1.00 0.00 C ATOM 214 O GLU A 21 15.449 -9.626 7.734 1.00 0.00 O ATOM 215 CB GLU A 21 16.514 -6.497 7.475 1.00 0.00 C ATOM 216 CG GLU A 21 17.970 -6.030 7.543 1.00 0.00 C ATOM 217 CD GLU A 21 18.085 -4.853 8.516 1.00 0.00 C ATOM 218 OE1 GLU A 21 17.868 -3.731 8.086 1.00 0.00 O ATOM 219 OE2 GLU A 21 18.387 -5.095 9.673 1.00 0.00 O ATOM 0 H GLU A 21 15.888 -6.261 5.179 1.00 0.00 H new ATOM 0 HA GLU A 21 17.333 -8.335 6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.886 -5.705 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.143 -6.712 8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.611 -6.849 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.314 -5.732 6.553 1.00 0.00 H new ATOM 226 N LEU A 22 14.046 -8.292 6.667 1.00 0.00 N ATOM 227 CA LEU A 22 12.863 -9.119 7.048 1.00 0.00 C ATOM 228 C LEU A 22 12.855 -10.416 6.235 1.00 0.00 C ATOM 229 O LEU A 22 12.357 -11.432 6.676 1.00 0.00 O ATOM 230 CB LEU A 22 11.643 -8.252 6.712 1.00 0.00 C ATOM 231 CG LEU A 22 11.596 -7.009 7.617 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.139 -6.620 7.871 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.281 -7.302 8.958 1.00 0.00 C ATOM 0 H LEU A 22 13.833 -7.472 6.099 1.00 0.00 H new ATOM 0 HA LEU A 22 12.871 -9.404 8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.684 -7.946 5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.730 -8.835 6.838 1.00 0.00 H new ATOM 0 HG LEU A 22 12.118 -6.191 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.104 -5.739 8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.651 -6.398 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.622 -7.446 8.360 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.241 -6.414 9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.768 -8.125 9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.321 -7.576 8.783 1.00 0.00 H new ATOM 245 N ASN A 23 13.433 -10.389 5.059 1.00 0.00 N ATOM 246 CA ASN A 23 13.496 -11.624 4.220 1.00 0.00 C ATOM 247 C ASN A 23 14.715 -12.461 4.636 1.00 0.00 C ATOM 248 O ASN A 23 14.798 -13.640 4.345 1.00 0.00 O ATOM 249 CB ASN A 23 13.644 -11.128 2.778 1.00 0.00 C ATOM 250 CG ASN A 23 12.264 -10.789 2.206 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.638 -11.614 1.572 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.759 -9.601 2.406 1.00 0.00 N ATOM 0 H ASN A 23 13.864 -9.563 4.644 1.00 0.00 H new ATOM 0 HA ASN A 23 12.614 -12.254 4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.287 -10.248 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.124 -11.893 2.167 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.840 -9.368 2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.284 -8.907 2.938 1.00 0.00 H new ATOM 259 N ALA A 24 15.656 -11.855 5.328 1.00 0.00 N ATOM 260 CA ALA A 24 16.865 -12.584 5.783 1.00 0.00 C ATOM 261 C ALA A 24 16.591 -13.246 7.135 1.00 0.00 C ATOM 262 O ALA A 24 17.015 -14.359 7.386 1.00 0.00 O ATOM 263 CB ALA A 24 17.943 -11.512 5.927 1.00 0.00 C ATOM 0 H ALA A 24 15.627 -10.871 5.595 1.00 0.00 H new ATOM 0 HA ALA A 24 17.163 -13.370 5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.872 -11.973 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.105 -11.027 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.623 -10.770 6.658 1.00 0.00 H new ATOM 269 N LYS A 25 15.871 -12.571 8.001 1.00 0.00 N ATOM 270 CA LYS A 25 15.552 -13.159 9.333 1.00 0.00 C ATOM 271 C LYS A 25 14.238 -13.931 9.237 1.00 0.00 C ATOM 272 O LYS A 25 13.985 -14.847 9.996 1.00 0.00 O ATOM 273 CB LYS A 25 15.391 -11.970 10.288 1.00 0.00 C ATOM 274 CG LYS A 25 16.615 -11.054 10.205 1.00 0.00 C ATOM 275 CD LYS A 25 16.258 -9.677 10.771 1.00 0.00 C ATOM 276 CE LYS A 25 17.197 -8.618 10.182 1.00 0.00 C ATOM 277 NZ LYS A 25 18.352 -8.551 11.122 1.00 0.00 N ATOM 0 H LYS A 25 15.492 -11.638 7.839 1.00 0.00 H new ATOM 0 HA LYS A 25 16.327 -13.844 9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.491 -11.410 10.034 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.265 -12.329 11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.445 -11.486 10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.943 -10.960 9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.223 -9.432 10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.341 -9.687 11.858 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.522 -8.894 9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.699 -7.652 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.036 -7.845 10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.015 -8.279 12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.812 -9.482 11.174 1.00 0.00 H new ATOM 291 N GLY A 26 13.393 -13.546 8.313 1.00 0.00 N ATOM 292 CA GLY A 26 12.077 -14.224 8.157 1.00 0.00 C ATOM 293 C GLY A 26 11.019 -13.456 8.956 1.00 0.00 C ATOM 294 O GLY A 26 9.940 -13.957 9.208 1.00 0.00 O ATOM 0 H GLY A 26 13.564 -12.784 7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.797 -14.264 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.140 -15.253 8.509 1.00 0.00 H new ATOM 298 N GLU A 27 11.321 -12.239 9.359 1.00 0.00 N ATOM 299 CA GLU A 27 10.328 -11.444 10.143 1.00 0.00 C ATOM 300 C GLU A 27 9.300 -10.802 9.206 1.00 0.00 C ATOM 301 O GLU A 27 9.648 -10.088 8.285 1.00 0.00 O ATOM 302 CB GLU A 27 11.145 -10.365 10.857 1.00 0.00 C ATOM 303 CG GLU A 27 11.932 -10.992 12.011 1.00 0.00 C ATOM 304 CD GLU A 27 12.271 -9.917 13.045 1.00 0.00 C ATOM 305 OE1 GLU A 27 13.261 -9.229 12.854 1.00 0.00 O ATOM 306 OE2 GLU A 27 11.535 -9.799 14.011 1.00 0.00 O ATOM 0 H GLU A 27 12.208 -11.769 9.178 1.00 0.00 H new ATOM 0 HA GLU A 27 9.774 -12.066 10.846 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.829 -9.889 10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.484 -9.586 11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.346 -11.785 12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.847 -11.450 11.634 1.00 0.00 H new ATOM 313 N LYS A 28 8.036 -11.048 9.443 1.00 0.00 N ATOM 314 CA LYS A 28 6.976 -10.450 8.575 1.00 0.00 C ATOM 315 C LYS A 28 6.395 -9.206 9.259 1.00 0.00 C ATOM 316 O LYS A 28 5.293 -9.224 9.777 1.00 0.00 O ATOM 317 CB LYS A 28 5.915 -11.544 8.425 1.00 0.00 C ATOM 318 CG LYS A 28 6.336 -12.516 7.318 1.00 0.00 C ATOM 319 CD LYS A 28 5.198 -13.499 7.037 1.00 0.00 C ATOM 320 CE LYS A 28 5.455 -14.810 7.787 1.00 0.00 C ATOM 321 NZ LYS A 28 4.266 -15.663 7.499 1.00 0.00 N ATOM 0 H LYS A 28 7.692 -11.638 10.201 1.00 0.00 H new ATOM 0 HA LYS A 28 7.355 -10.133 7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.794 -12.079 9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.950 -11.099 8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.586 -11.964 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.233 -13.058 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.247 -13.069 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.124 -13.689 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.374 -15.286 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.566 -14.636 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.371 -16.579 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.407 -15.188 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.190 -15.818 6.473 1.00 0.00 H new ATOM 335 N ARG A 29 7.140 -8.130 9.266 1.00 0.00 N ATOM 336 CA ARG A 29 6.658 -6.877 9.917 1.00 0.00 C ATOM 337 C ARG A 29 6.307 -5.831 8.851 1.00 0.00 C ATOM 338 O ARG A 29 5.933 -6.169 7.743 1.00 0.00 O ATOM 339 CB ARG A 29 7.839 -6.413 10.779 1.00 0.00 C ATOM 340 CG ARG A 29 7.331 -5.930 12.141 1.00 0.00 C ATOM 341 CD ARG A 29 8.166 -6.570 13.256 1.00 0.00 C ATOM 342 NE ARG A 29 9.460 -5.828 13.248 1.00 0.00 N ATOM 343 CZ ARG A 29 10.590 -6.482 13.176 1.00 0.00 C ATOM 344 NH1 ARG A 29 11.277 -6.723 14.263 1.00 0.00 N ATOM 345 NH2 ARG A 29 11.035 -6.894 12.016 1.00 0.00 N ATOM 0 H ARG A 29 8.067 -8.067 8.846 1.00 0.00 H new ATOM 0 HA ARG A 29 5.756 -7.028 10.511 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.546 -7.232 10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.375 -5.609 10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.397 -4.844 12.201 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.280 -6.193 12.263 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.668 -6.483 14.221 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.320 -7.633 13.072 1.00 0.00 H new ATOM 0 HE ARG A 29 9.463 -4.809 13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.931 -6.401 15.167 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.158 -7.233 14.207 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.500 -6.705 11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.916 -7.404 11.960 1.00 0.00 H new ATOM 359 N LEU A 30 6.420 -4.565 9.176 1.00 0.00 N ATOM 360 CA LEU A 30 6.089 -3.506 8.179 1.00 0.00 C ATOM 361 C LEU A 30 7.327 -2.646 7.867 1.00 0.00 C ATOM 362 O LEU A 30 8.229 -2.516 8.675 1.00 0.00 O ATOM 363 CB LEU A 30 4.965 -2.680 8.840 1.00 0.00 C ATOM 364 CG LEU A 30 5.541 -1.559 9.717 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.825 -0.243 9.397 1.00 0.00 C ATOM 366 CD2 LEU A 30 5.330 -1.908 11.193 1.00 0.00 C ATOM 0 H LEU A 30 6.727 -4.223 10.087 1.00 0.00 H new ATOM 0 HA LEU A 30 5.770 -3.917 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.325 -2.250 8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.338 -3.334 9.446 1.00 0.00 H new ATOM 0 HG LEU A 30 6.607 -1.451 9.517 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.233 0.554 10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.973 0.005 8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.759 -0.350 9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.738 -1.113 11.817 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.264 -2.015 11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.837 -2.845 11.421 1.00 0.00 H new ATOM 378 N ILE A 31 7.368 -2.062 6.695 1.00 0.00 N ATOM 379 CA ILE A 31 8.532 -1.201 6.303 1.00 0.00 C ATOM 380 C ILE A 31 8.014 0.164 5.835 1.00 0.00 C ATOM 381 O ILE A 31 7.260 0.256 4.886 1.00 0.00 O ATOM 382 CB ILE A 31 9.227 -1.955 5.160 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.782 -3.281 5.694 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.381 -1.108 4.599 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.111 -4.450 4.969 1.00 0.00 C ATOM 0 H ILE A 31 6.640 -2.144 5.986 1.00 0.00 H new ATOM 0 HA ILE A 31 9.223 -1.019 7.126 1.00 0.00 H new ATOM 0 HB ILE A 31 8.506 -2.148 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.861 -3.320 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.604 -3.355 6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.869 -1.649 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.989 -0.164 4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.104 -0.909 5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.508 -5.391 5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.035 -4.414 5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.312 -4.379 3.900 1.00 0.00 H new ATOM 397 N LYS A 32 8.399 1.221 6.502 1.00 0.00 N ATOM 398 CA LYS A 32 7.909 2.581 6.108 1.00 0.00 C ATOM 399 C LYS A 32 8.764 3.179 4.983 1.00 0.00 C ATOM 400 O LYS A 32 9.897 2.788 4.767 1.00 0.00 O ATOM 401 CB LYS A 32 8.022 3.432 7.377 1.00 0.00 C ATOM 402 CG LYS A 32 6.932 3.023 8.374 1.00 0.00 C ATOM 403 CD LYS A 32 7.539 2.128 9.457 1.00 0.00 C ATOM 404 CE LYS A 32 6.773 2.318 10.770 1.00 0.00 C ATOM 405 NZ LYS A 32 7.292 1.257 11.680 1.00 0.00 N ATOM 0 H LYS A 32 9.031 1.204 7.302 1.00 0.00 H new ATOM 0 HA LYS A 32 6.889 2.541 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.006 3.302 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.922 4.488 7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.488 3.909 8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.131 2.494 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.495 1.084 9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.591 2.375 9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.943 3.311 11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.699 2.216 10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.722 1.236 12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.234 0.333 11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.283 1.460 11.921 1.00 0.00 H new ATOM 419 N THR A 33 8.215 4.132 4.267 1.00 0.00 N ATOM 420 CA THR A 33 8.961 4.782 3.145 1.00 0.00 C ATOM 421 C THR A 33 8.650 6.288 3.119 1.00 0.00 C ATOM 422 O THR A 33 7.623 6.718 3.610 1.00 0.00 O ATOM 423 CB THR A 33 8.432 4.096 1.880 1.00 0.00 C ATOM 424 OG1 THR A 33 8.937 2.768 1.814 1.00 0.00 O ATOM 425 CG2 THR A 33 8.874 4.873 0.642 1.00 0.00 C ATOM 0 H THR A 33 7.271 4.490 4.415 1.00 0.00 H new ATOM 0 HA THR A 33 10.042 4.681 3.240 1.00 0.00 H new ATOM 0 HB THR A 33 7.343 4.071 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.598 2.329 1.006 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.494 4.379 -0.252 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.481 5.889 0.690 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.963 4.907 0.603 1.00 0.00 H new ATOM 433 N TRP A 34 9.529 7.094 2.559 1.00 0.00 N ATOM 434 CA TRP A 34 9.273 8.575 2.516 1.00 0.00 C ATOM 435 C TRP A 34 9.833 9.204 1.230 1.00 0.00 C ATOM 436 O TRP A 34 10.330 10.315 1.247 1.00 0.00 O ATOM 437 CB TRP A 34 10.009 9.153 3.730 1.00 0.00 C ATOM 438 CG TRP A 34 9.607 8.431 4.974 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.545 8.744 5.745 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.241 7.279 5.592 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.494 7.863 6.812 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.521 6.941 6.760 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.364 6.509 5.254 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.906 5.871 7.569 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.755 5.430 6.063 1.00 0.00 C ATOM 446 CH2 TRP A 34 11.027 5.112 7.219 1.00 0.00 C ATOM 0 H TRP A 34 10.406 6.793 2.133 1.00 0.00 H new ATOM 0 HA TRP A 34 8.203 8.784 2.533 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.086 9.068 3.585 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.783 10.215 3.829 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.849 9.549 5.560 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.786 7.891 7.545 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.931 6.748 4.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.342 5.631 8.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.620 4.842 5.794 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.332 4.281 7.838 1.00 0.00 H new ATOM 457 N SER A 35 9.763 8.515 0.117 1.00 0.00 N ATOM 458 CA SER A 35 10.301 9.101 -1.151 1.00 0.00 C ATOM 459 C SER A 35 9.199 9.855 -1.916 1.00 0.00 C ATOM 460 O SER A 35 8.943 11.014 -1.643 1.00 0.00 O ATOM 461 CB SER A 35 10.834 7.912 -1.951 1.00 0.00 C ATOM 462 OG SER A 35 12.213 7.735 -1.658 1.00 0.00 O ATOM 0 H SER A 35 9.361 7.582 0.031 1.00 0.00 H new ATOM 0 HA SER A 35 11.086 9.834 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.277 7.009 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.695 8.085 -3.018 1.00 0.00 H new ATOM 0 HG SER A 35 12.348 6.862 -1.233 1.00 0.00 H new ATOM 468 N ARG A 36 8.545 9.220 -2.866 1.00 0.00 N ATOM 469 CA ARG A 36 7.466 9.920 -3.637 1.00 0.00 C ATOM 470 C ARG A 36 6.693 8.921 -4.508 1.00 0.00 C ATOM 471 O ARG A 36 5.510 8.707 -4.315 1.00 0.00 O ATOM 472 CB ARG A 36 8.198 10.948 -4.509 1.00 0.00 C ATOM 473 CG ARG A 36 7.211 12.020 -4.979 1.00 0.00 C ATOM 474 CD ARG A 36 6.945 13.011 -3.843 1.00 0.00 C ATOM 475 NE ARG A 36 6.000 14.010 -4.418 1.00 0.00 N ATOM 476 CZ ARG A 36 4.717 13.905 -4.191 1.00 0.00 C ATOM 477 NH1 ARG A 36 4.173 14.566 -3.202 1.00 0.00 N ATOM 478 NH2 ARG A 36 3.978 13.141 -4.954 1.00 0.00 N ATOM 0 H ARG A 36 8.712 8.251 -3.138 1.00 0.00 H new ATOM 0 HA ARG A 36 6.735 10.392 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.008 11.408 -3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.650 10.454 -5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.614 12.545 -5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.277 11.555 -5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.512 12.511 -2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.867 13.486 -3.509 1.00 0.00 H new ATOM 0 HE ARG A 36 6.355 14.777 -4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.750 15.163 -2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.172 14.485 -3.024 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.403 12.627 -5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.977 13.059 -4.777 1.00 0.00 H new ATOM 492 N ARG A 37 7.351 8.303 -5.463 1.00 0.00 N ATOM 493 CA ARG A 37 6.655 7.310 -6.345 1.00 0.00 C ATOM 494 C ARG A 37 6.947 5.884 -5.862 1.00 0.00 C ATOM 495 O ARG A 37 7.119 4.975 -6.651 1.00 0.00 O ATOM 496 CB ARG A 37 7.238 7.539 -7.745 1.00 0.00 C ATOM 497 CG ARG A 37 6.833 8.925 -8.249 1.00 0.00 C ATOM 498 CD ARG A 37 8.077 9.808 -8.378 1.00 0.00 C ATOM 499 NE ARG A 37 7.603 11.045 -9.061 1.00 0.00 N ATOM 500 CZ ARG A 37 7.447 12.150 -8.381 1.00 0.00 C ATOM 501 NH1 ARG A 37 6.257 12.495 -7.961 1.00 0.00 N ATOM 502 NH2 ARG A 37 8.480 12.908 -8.121 1.00 0.00 N ATOM 0 H ARG A 37 8.340 8.444 -5.669 1.00 0.00 H new ATOM 0 HA ARG A 37 5.572 7.434 -6.335 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.324 7.455 -7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.877 6.772 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.333 8.840 -9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.121 9.380 -7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.503 10.035 -7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.855 9.311 -8.957 1.00 0.00 H new ATOM 0 HE ARG A 37 7.400 11.029 -10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.453 11.902 -8.164 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.134 13.357 -7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.407 12.637 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.359 13.771 -7.590 1.00 0.00 H new ATOM 516 N SER A 38 7.009 5.702 -4.563 1.00 0.00 N ATOM 517 CA SER A 38 7.298 4.361 -3.961 1.00 0.00 C ATOM 518 C SER A 38 6.567 3.226 -4.696 1.00 0.00 C ATOM 519 O SER A 38 5.388 3.312 -4.985 1.00 0.00 O ATOM 520 CB SER A 38 6.794 4.486 -2.524 1.00 0.00 C ATOM 521 OG SER A 38 7.685 5.314 -1.793 1.00 0.00 O ATOM 0 H SER A 38 6.868 6.446 -3.879 1.00 0.00 H new ATOM 0 HA SER A 38 8.356 4.108 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.790 4.911 -2.513 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.729 3.502 -2.061 1.00 0.00 H new ATOM 0 HG SER A 38 7.396 6.248 -1.864 1.00 0.00 H new ATOM 527 N THR A 39 7.276 2.162 -4.987 1.00 0.00 N ATOM 528 CA THR A 39 6.660 0.995 -5.694 1.00 0.00 C ATOM 529 C THR A 39 6.958 -0.295 -4.924 1.00 0.00 C ATOM 530 O THR A 39 7.910 -0.371 -4.168 1.00 0.00 O ATOM 531 CB THR A 39 7.322 0.955 -7.077 1.00 0.00 C ATOM 532 OG1 THR A 39 6.946 2.109 -7.818 1.00 0.00 O ATOM 533 CG2 THR A 39 6.877 -0.307 -7.832 1.00 0.00 C ATOM 0 H THR A 39 8.265 2.051 -4.763 1.00 0.00 H new ATOM 0 HA THR A 39 5.577 1.088 -5.771 1.00 0.00 H new ATOM 0 HB THR A 39 8.405 0.937 -6.955 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.579 2.835 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.350 -0.330 -8.814 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.171 -1.192 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.794 -0.296 -7.952 1.00 0.00 H new ATOM 541 N ILE A 40 6.151 -1.305 -5.108 1.00 0.00 N ATOM 542 CA ILE A 40 6.386 -2.596 -4.380 1.00 0.00 C ATOM 543 C ILE A 40 7.533 -3.395 -5.019 1.00 0.00 C ATOM 544 O ILE A 40 7.889 -3.192 -6.165 1.00 0.00 O ATOM 545 CB ILE A 40 5.076 -3.385 -4.488 1.00 0.00 C ATOM 546 CG1 ILE A 40 3.881 -2.459 -4.250 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.061 -4.502 -3.445 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.096 -2.314 -5.550 1.00 0.00 C ATOM 0 H ILE A 40 5.341 -1.297 -5.728 1.00 0.00 H new ATOM 0 HA ILE A 40 6.669 -2.410 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 40 5.006 -3.813 -5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.240 -2.865 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.224 -1.483 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.129 -5.061 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.902 -5.173 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.141 -4.070 -2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.243 -1.655 -5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.741 -1.890 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.742 -3.293 -5.873 1.00 0.00 H new ATOM 560 N VAL A 41 8.093 -4.313 -4.272 1.00 0.00 N ATOM 561 CA VAL A 41 9.211 -5.171 -4.792 1.00 0.00 C ATOM 562 C VAL A 41 8.922 -6.633 -4.467 1.00 0.00 C ATOM 563 O VAL A 41 7.942 -6.943 -3.816 1.00 0.00 O ATOM 564 CB VAL A 41 10.506 -4.719 -4.078 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.406 -3.985 -5.074 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.202 -3.785 -2.900 1.00 0.00 C ATOM 0 H VAL A 41 7.821 -4.510 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 41 9.313 -5.070 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 41 11.006 -5.608 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.319 -3.666 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.659 -4.653 -5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.882 -3.112 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.135 -3.487 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.681 -2.899 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.573 -4.304 -2.177 1.00 0.00 H new ATOM 576 N PRO A 42 9.789 -7.491 -4.931 1.00 0.00 N ATOM 577 CA PRO A 42 9.622 -8.942 -4.684 1.00 0.00 C ATOM 578 C PRO A 42 9.763 -9.254 -3.192 1.00 0.00 C ATOM 579 O PRO A 42 9.162 -10.182 -2.687 1.00 0.00 O ATOM 580 CB PRO A 42 10.747 -9.563 -5.498 1.00 0.00 C ATOM 581 CG PRO A 42 11.769 -8.488 -5.631 1.00 0.00 C ATOM 582 CD PRO A 42 11.001 -7.205 -5.712 1.00 0.00 C ATOM 0 HA PRO A 42 8.641 -9.324 -4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.159 -10.439 -4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.392 -9.892 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.447 -8.485 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.379 -8.636 -6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.564 -6.371 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.763 -6.942 -6.743 1.00 0.00 H new ATOM 590 N GLU A 43 10.537 -8.473 -2.487 1.00 0.00 N ATOM 591 CA GLU A 43 10.708 -8.697 -1.019 1.00 0.00 C ATOM 592 C GLU A 43 9.487 -8.166 -0.241 1.00 0.00 C ATOM 593 O GLU A 43 9.450 -8.238 0.970 1.00 0.00 O ATOM 594 CB GLU A 43 11.960 -7.902 -0.624 1.00 0.00 C ATOM 595 CG GLU A 43 13.148 -8.301 -1.505 1.00 0.00 C ATOM 596 CD GLU A 43 13.769 -7.042 -2.120 1.00 0.00 C ATOM 597 OE1 GLU A 43 13.337 -6.657 -3.194 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.662 -6.483 -1.502 1.00 0.00 O ATOM 0 H GLU A 43 11.062 -7.685 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 43 10.803 -9.758 -0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.767 -6.834 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.199 -8.085 0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.891 -8.835 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.820 -8.980 -2.292 1.00 0.00 H new ATOM 605 N MET A 44 8.495 -7.627 -0.921 1.00 0.00 N ATOM 606 CA MET A 44 7.289 -7.086 -0.208 1.00 0.00 C ATOM 607 C MET A 44 6.167 -8.133 -0.117 1.00 0.00 C ATOM 608 O MET A 44 5.199 -7.946 0.593 1.00 0.00 O ATOM 609 CB MET A 44 6.836 -5.895 -1.055 1.00 0.00 C ATOM 610 CG MET A 44 7.473 -4.618 -0.513 1.00 0.00 C ATOM 611 SD MET A 44 6.388 -3.206 -0.843 1.00 0.00 S ATOM 612 CE MET A 44 7.664 -2.021 -1.325 1.00 0.00 C ATOM 0 H MET A 44 8.470 -7.539 -1.937 1.00 0.00 H new ATOM 0 HA MET A 44 7.525 -6.807 0.819 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.123 -6.044 -2.096 1.00 0.00 H new ATOM 0 HB3 MET A 44 5.749 -5.811 -1.033 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.646 -4.713 0.559 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.445 -4.459 -0.980 1.00 0.00 H new ATOM 0 HE1 MET A 44 7.274 -1.008 -1.229 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.533 -2.138 -0.677 1.00 0.00 H new ATOM 0 HE3 MET A 44 7.956 -2.201 -2.360 1.00 0.00 H new ATOM 622 N VAL A 45 6.289 -9.221 -0.839 1.00 0.00 N ATOM 623 CA VAL A 45 5.240 -10.301 -0.834 1.00 0.00 C ATOM 624 C VAL A 45 4.929 -10.873 0.577 1.00 0.00 C ATOM 625 O VAL A 45 4.146 -11.796 0.702 1.00 0.00 O ATOM 626 CB VAL A 45 5.844 -11.394 -1.739 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.213 -11.828 -1.197 1.00 0.00 C ATOM 628 CG2 VAL A 45 4.925 -12.617 -1.788 1.00 0.00 C ATOM 0 H VAL A 45 7.086 -9.413 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 45 4.281 -9.913 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 45 5.955 -10.982 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.632 -12.600 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.884 -10.970 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.096 -12.223 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.367 -13.378 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.800 -13.019 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.953 -12.326 -2.185 1.00 0.00 H new ATOM 638 N GLY A 46 5.501 -10.355 1.632 1.00 0.00 N ATOM 639 CA GLY A 46 5.185 -10.902 2.987 1.00 0.00 C ATOM 640 C GLY A 46 5.316 -9.801 4.042 1.00 0.00 C ATOM 641 O GLY A 46 5.650 -10.070 5.180 1.00 0.00 O ATOM 0 H GLY A 46 6.168 -9.583 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.173 -11.308 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.861 -11.724 3.222 1.00 0.00 H new ATOM 645 N HIS A 47 5.073 -8.557 3.678 1.00 0.00 N ATOM 646 CA HIS A 47 5.211 -7.451 4.677 1.00 0.00 C ATOM 647 C HIS A 47 4.205 -6.327 4.407 1.00 0.00 C ATOM 648 O HIS A 47 3.716 -6.160 3.307 1.00 0.00 O ATOM 649 CB HIS A 47 6.641 -6.906 4.507 1.00 0.00 C ATOM 650 CG HIS A 47 7.631 -8.037 4.388 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.029 -8.792 3.314 1.00 0.00 N flip ATOM 652 CD2 HIS A 47 8.344 -8.518 5.475 1.00 0.00 C flip ATOM 653 CE1 HIS A 47 8.973 -9.728 3.723 1.00 0.00 C flip ATOM 654 NE2 HIS A 47 9.125 -9.521 5.033 1.00 0.00 N flip ATOM 0 H HIS A 47 4.789 -8.267 2.742 1.00 0.00 H new ATOM 0 HA HIS A 47 5.021 -7.819 5.685 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.692 -6.276 3.619 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.900 -6.277 5.359 1.00 0.00 H new ATOM 0 HD1 HIS A 47 7.685 -8.683 2.360 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.284 -8.155 6.490 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.475 -10.464 3.112 1.00 0.00 H new ATOM 662 N THR A 48 3.937 -5.534 5.413 1.00 0.00 N ATOM 663 CA THR A 48 3.009 -4.380 5.274 1.00 0.00 C ATOM 664 C THR A 48 3.878 -3.137 5.095 1.00 0.00 C ATOM 665 O THR A 48 4.217 -2.454 6.041 1.00 0.00 O ATOM 666 CB THR A 48 2.218 -4.315 6.597 1.00 0.00 C ATOM 667 OG1 THR A 48 2.284 -5.567 7.273 1.00 0.00 O ATOM 668 CG2 THR A 48 0.756 -3.980 6.305 1.00 0.00 C ATOM 0 H THR A 48 4.334 -5.644 6.346 1.00 0.00 H new ATOM 0 HA THR A 48 2.322 -4.461 4.432 1.00 0.00 H new ATOM 0 HB THR A 48 2.656 -3.542 7.229 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.937 -6.273 6.688 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.199 -3.935 7.241 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.697 -3.015 5.801 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.327 -4.751 5.665 1.00 0.00 H new ATOM 676 N ILE A 49 4.286 -2.868 3.890 1.00 0.00 N ATOM 677 CA ILE A 49 5.186 -1.697 3.662 1.00 0.00 C ATOM 678 C ILE A 49 4.386 -0.409 3.502 1.00 0.00 C ATOM 679 O ILE A 49 3.566 -0.285 2.611 1.00 0.00 O ATOM 680 CB ILE A 49 5.964 -2.024 2.385 1.00 0.00 C ATOM 681 CG1 ILE A 49 6.829 -3.276 2.640 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.844 -0.823 2.001 1.00 0.00 C ATOM 683 CD1 ILE A 49 8.231 -3.103 2.047 1.00 0.00 C ATOM 0 H ILE A 49 4.040 -3.401 3.056 1.00 0.00 H new ATOM 0 HA ILE A 49 5.852 -1.533 4.509 1.00 0.00 H new ATOM 0 HB ILE A 49 5.278 -2.225 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.903 -3.459 3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.349 -4.150 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.399 -1.054 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.214 0.050 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.544 -0.612 2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.821 -3.999 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.154 -2.944 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.717 -2.243 2.507 1.00 0.00 H new ATOM 695 N ALA A 50 4.635 0.560 4.353 1.00 0.00 N ATOM 696 CA ALA A 50 3.905 1.849 4.233 1.00 0.00 C ATOM 697 C ALA A 50 4.531 2.665 3.114 1.00 0.00 C ATOM 698 O ALA A 50 5.388 3.503 3.332 1.00 0.00 O ATOM 699 CB ALA A 50 4.032 2.552 5.584 1.00 0.00 C ATOM 0 H ALA A 50 5.308 0.508 5.118 1.00 0.00 H new ATOM 0 HA ALA A 50 2.852 1.711 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.510 3.508 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.592 1.928 6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.085 2.722 5.808 1.00 0.00 H new ATOM 705 N VAL A 51 4.110 2.396 1.911 1.00 0.00 N ATOM 706 CA VAL A 51 4.677 3.123 0.735 1.00 0.00 C ATOM 707 C VAL A 51 4.323 4.611 0.806 1.00 0.00 C ATOM 708 O VAL A 51 3.178 4.981 0.992 1.00 0.00 O ATOM 709 CB VAL A 51 4.053 2.472 -0.512 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.330 0.965 -0.508 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.536 2.711 -0.532 1.00 0.00 C ATOM 0 H VAL A 51 3.396 1.703 1.688 1.00 0.00 H new ATOM 0 HA VAL A 51 5.765 3.056 0.710 1.00 0.00 H new ATOM 0 HB VAL A 51 4.498 2.921 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.885 0.511 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.406 0.793 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.896 0.518 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.106 2.246 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.087 2.275 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.337 3.782 -0.552 1.00 0.00 H new ATOM 721 N TYR A 52 5.299 5.466 0.649 1.00 0.00 N ATOM 722 CA TYR A 52 5.021 6.929 0.690 1.00 0.00 C ATOM 723 C TYR A 52 4.353 7.338 -0.626 1.00 0.00 C ATOM 724 O TYR A 52 4.989 7.385 -1.662 1.00 0.00 O ATOM 725 CB TYR A 52 6.391 7.600 0.856 1.00 0.00 C ATOM 726 CG TYR A 52 6.214 9.057 1.212 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.557 9.414 2.395 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.724 10.049 0.369 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.407 10.763 2.732 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.578 11.398 0.707 1.00 0.00 C ATOM 731 CZ TYR A 52 5.919 11.756 1.889 1.00 0.00 C ATOM 732 OH TYR A 52 5.776 13.087 2.224 1.00 0.00 O ATOM 0 H TYR A 52 6.275 5.213 0.494 1.00 0.00 H new ATOM 0 HA TYR A 52 4.352 7.218 1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.961 7.094 1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.963 7.510 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.166 8.648 3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.231 9.773 -0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.896 11.038 3.643 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.974 12.164 0.056 1.00 0.00 H new ATOM 0 HH TYR A 52 5.568 13.606 1.419 1.00 0.00 H new ATOM 742 N ASN A 53 3.070 7.623 -0.595 1.00 0.00 N ATOM 743 CA ASN A 53 2.361 8.017 -1.857 1.00 0.00 C ATOM 744 C ASN A 53 2.533 9.516 -2.137 1.00 0.00 C ATOM 745 O ASN A 53 1.695 10.140 -2.764 1.00 0.00 O ATOM 746 CB ASN A 53 0.881 7.660 -1.635 1.00 0.00 C ATOM 747 CG ASN A 53 0.324 8.396 -0.409 1.00 0.00 C ATOM 748 OD1 ASN A 53 0.277 7.844 0.671 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.109 9.621 -0.533 1.00 0.00 N ATOM 0 H ASN A 53 2.488 7.600 0.242 1.00 0.00 H new ATOM 0 HA ASN A 53 2.768 7.497 -2.724 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.301 7.925 -2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.778 6.584 -1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.486 10.113 0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.070 10.086 -1.440 1.00 0.00 H new ATOM 756 N GLY A 54 3.616 10.097 -1.682 1.00 0.00 N ATOM 757 CA GLY A 54 3.851 11.548 -1.917 1.00 0.00 C ATOM 758 C GLY A 54 3.719 12.305 -0.597 1.00 0.00 C ATOM 759 O GLY A 54 4.433 13.257 -0.348 1.00 0.00 O ATOM 0 H GLY A 54 4.349 9.622 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.844 11.703 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.133 11.931 -2.642 1.00 0.00 H new ATOM 763 N LYS A 55 2.802 11.897 0.249 1.00 0.00 N ATOM 764 CA LYS A 55 2.616 12.598 1.553 1.00 0.00 C ATOM 765 C LYS A 55 2.334 11.611 2.693 1.00 0.00 C ATOM 766 O LYS A 55 2.469 11.953 3.853 1.00 0.00 O ATOM 767 CB LYS A 55 1.399 13.514 1.362 1.00 0.00 C ATOM 768 CG LYS A 55 0.419 12.921 0.341 1.00 0.00 C ATOM 769 CD LYS A 55 -0.964 13.552 0.529 1.00 0.00 C ATOM 770 CE LYS A 55 -2.021 12.686 -0.164 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.328 13.310 0.189 1.00 0.00 N ATOM 0 H LYS A 55 2.176 11.108 0.089 1.00 0.00 H new ATOM 0 HA LYS A 55 3.519 13.145 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.893 13.656 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.729 14.497 1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.778 13.104 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.357 11.840 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.192 13.643 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.975 14.560 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.871 12.670 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.972 11.653 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.100 12.770 -0.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.447 13.305 1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.350 14.290 -0.158 1.00 0.00 H new ATOM 785 N GLN A 56 1.891 10.413 2.387 1.00 0.00 N ATOM 786 CA GLN A 56 1.546 9.457 3.474 1.00 0.00 C ATOM 787 C GLN A 56 2.200 8.084 3.321 1.00 0.00 C ATOM 788 O GLN A 56 2.475 7.618 2.234 1.00 0.00 O ATOM 789 CB GLN A 56 0.038 9.311 3.351 1.00 0.00 C ATOM 790 CG GLN A 56 -0.632 10.222 4.371 1.00 0.00 C ATOM 791 CD GLN A 56 -0.244 9.790 5.799 1.00 0.00 C ATOM 792 OE1 GLN A 56 0.152 8.558 6.034 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -0.302 10.586 6.715 1.00 0.00 N flip ATOM 0 H GLN A 56 1.756 10.064 1.438 1.00 0.00 H new ATOM 0 HA GLN A 56 1.897 9.829 4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.285 9.572 2.343 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.255 8.275 3.521 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.331 11.256 4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.715 10.181 4.251 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.608 11.543 6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.044 10.297 7.659 1.00 0.00 H new ATOM 802 N HIS A 57 2.397 7.424 4.435 1.00 0.00 N ATOM 803 CA HIS A 57 2.973 6.060 4.446 1.00 0.00 C ATOM 804 C HIS A 57 1.814 5.067 4.572 1.00 0.00 C ATOM 805 O HIS A 57 1.196 4.968 5.615 1.00 0.00 O ATOM 806 CB HIS A 57 3.854 5.994 5.706 1.00 0.00 C ATOM 807 CG HIS A 57 4.455 7.342 6.023 1.00 0.00 C ATOM 808 ND1 HIS A 57 4.057 8.084 7.125 1.00 0.00 N ATOM 809 CD2 HIS A 57 5.407 8.097 5.388 1.00 0.00 C ATOM 810 CE1 HIS A 57 4.760 9.230 7.117 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.597 9.289 6.079 1.00 0.00 N ATOM 0 H HIS A 57 2.173 7.792 5.360 1.00 0.00 H new ATOM 0 HA HIS A 57 3.548 5.829 3.549 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.258 5.650 6.552 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.650 5.264 5.559 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.358 7.810 7.816 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.930 7.810 4.488 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.660 10.008 7.860 1.00 0.00 H new ATOM 819 N VAL A 58 1.496 4.349 3.527 1.00 0.00 N ATOM 820 CA VAL A 58 0.357 3.380 3.612 1.00 0.00 C ATOM 821 C VAL A 58 0.906 1.962 3.807 1.00 0.00 C ATOM 822 O VAL A 58 1.274 1.313 2.844 1.00 0.00 O ATOM 823 CB VAL A 58 -0.387 3.505 2.274 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.686 2.697 2.330 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.723 4.978 2.003 1.00 0.00 C ATOM 0 H VAL A 58 1.969 4.389 2.624 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.308 3.586 4.451 1.00 0.00 H new ATOM 0 HB VAL A 58 0.249 3.123 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.212 2.787 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.455 1.649 2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.318 3.079 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.251 5.062 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.355 5.360 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.198 5.559 1.959 1.00 0.00 H new ATOM 835 N PRO A 59 0.969 1.528 5.056 1.00 0.00 N ATOM 836 CA PRO A 59 1.505 0.178 5.379 1.00 0.00 C ATOM 837 C PRO A 59 0.565 -0.881 4.836 1.00 0.00 C ATOM 838 O PRO A 59 -0.409 -1.261 5.458 1.00 0.00 O ATOM 839 CB PRO A 59 1.561 0.157 6.905 1.00 0.00 C ATOM 840 CG PRO A 59 0.551 1.169 7.329 1.00 0.00 C ATOM 841 CD PRO A 59 0.544 2.236 6.266 1.00 0.00 C ATOM 0 HA PRO A 59 2.482 -0.024 4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.322 -0.831 7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.556 0.412 7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.435 0.715 7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.808 1.591 8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.447 2.674 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.225 3.051 6.513 1.00 0.00 H new ATOM 849 N VAL A 60 0.848 -1.321 3.653 1.00 0.00 N ATOM 850 CA VAL A 60 -0.024 -2.332 2.999 1.00 0.00 C ATOM 851 C VAL A 60 0.665 -3.691 2.890 1.00 0.00 C ATOM 852 O VAL A 60 1.744 -3.806 2.335 1.00 0.00 O ATOM 853 CB VAL A 60 -0.275 -1.777 1.598 1.00 0.00 C ATOM 854 CG1 VAL A 60 -1.134 -2.767 0.814 1.00 0.00 C ATOM 855 CG2 VAL A 60 -0.993 -0.429 1.695 1.00 0.00 C ATOM 0 H VAL A 60 1.653 -1.024 3.101 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.937 -2.493 3.572 1.00 0.00 H new ATOM 0 HB VAL A 60 0.676 -1.634 1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.317 -2.377 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.614 -3.722 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.085 -2.910 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.169 -0.038 0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.947 -0.561 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.375 0.273 2.255 1.00 0.00 H new ATOM 865 N TYR A 61 0.024 -4.728 3.371 1.00 0.00 N ATOM 866 CA TYR A 61 0.613 -6.090 3.242 1.00 0.00 C ATOM 867 C TYR A 61 0.502 -6.493 1.769 1.00 0.00 C ATOM 868 O TYR A 61 -0.570 -6.776 1.266 1.00 0.00 O ATOM 869 CB TYR A 61 -0.227 -7.007 4.135 1.00 0.00 C ATOM 870 CG TYR A 61 0.648 -8.119 4.664 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.105 -9.122 3.800 1.00 0.00 C ATOM 872 CD2 TYR A 61 1.005 -8.144 6.016 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.917 -10.150 4.288 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.818 -9.173 6.506 1.00 0.00 C ATOM 875 CZ TYR A 61 2.274 -10.177 5.642 1.00 0.00 C ATOM 876 OH TYR A 61 3.075 -11.192 6.125 1.00 0.00 O ATOM 0 H TYR A 61 -0.878 -4.687 3.845 1.00 0.00 H new ATOM 0 HA TYR A 61 1.659 -6.144 3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.654 -6.439 4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.061 -7.422 3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.830 -9.101 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.654 -7.370 6.682 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.269 -10.923 3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.094 -9.193 7.550 1.00 0.00 H new ATOM 0 HH TYR A 61 4.017 -10.951 6.005 1.00 0.00 H new ATOM 886 N ILE A 62 1.597 -6.450 1.069 1.00 0.00 N ATOM 887 CA ILE A 62 1.583 -6.753 -0.399 1.00 0.00 C ATOM 888 C ILE A 62 1.258 -8.212 -0.710 1.00 0.00 C ATOM 889 O ILE A 62 0.421 -8.486 -1.550 1.00 0.00 O ATOM 890 CB ILE A 62 2.985 -6.372 -0.880 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.139 -4.850 -0.787 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.180 -6.815 -2.334 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.071 -4.494 0.371 1.00 0.00 C ATOM 0 H ILE A 62 2.514 -6.216 1.449 1.00 0.00 H new ATOM 0 HA ILE A 62 0.796 -6.196 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 62 3.732 -6.865 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.539 -4.458 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.164 -4.385 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.181 -6.539 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.059 -7.896 -2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.439 -6.325 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.177 -3.411 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.653 -4.871 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.049 -4.945 0.203 1.00 0.00 H new ATOM 905 N THR A 63 1.925 -9.144 -0.084 1.00 0.00 N ATOM 906 CA THR A 63 1.673 -10.590 -0.384 1.00 0.00 C ATOM 907 C THR A 63 2.106 -10.868 -1.832 1.00 0.00 C ATOM 908 O THR A 63 2.547 -9.976 -2.534 1.00 0.00 O ATOM 909 CB THR A 63 0.160 -10.817 -0.195 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.299 -10.089 0.938 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.114 -12.308 0.022 1.00 0.00 C ATOM 0 H THR A 63 2.637 -8.969 0.625 1.00 0.00 H new ATOM 0 HA THR A 63 2.233 -11.261 0.268 1.00 0.00 H new ATOM 0 HB THR A 63 -0.365 -10.473 -1.086 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.261 -10.235 1.053 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.184 -12.466 0.155 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.230 -12.871 -0.845 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.417 -12.650 0.911 1.00 0.00 H new ATOM 919 N GLU A 64 1.996 -12.081 -2.295 1.00 0.00 N ATOM 920 CA GLU A 64 2.416 -12.372 -3.698 1.00 0.00 C ATOM 921 C GLU A 64 1.248 -12.081 -4.648 1.00 0.00 C ATOM 922 O GLU A 64 0.746 -12.964 -5.322 1.00 0.00 O ATOM 923 CB GLU A 64 2.778 -13.863 -3.714 1.00 0.00 C ATOM 924 CG GLU A 64 3.899 -14.109 -4.731 1.00 0.00 C ATOM 925 CD GLU A 64 3.301 -14.272 -6.131 1.00 0.00 C ATOM 926 OE1 GLU A 64 2.809 -15.350 -6.424 1.00 0.00 O ATOM 927 OE2 GLU A 64 3.346 -13.315 -6.888 1.00 0.00 O ATOM 0 H GLU A 64 1.637 -12.879 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 64 3.258 -11.760 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.097 -14.181 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.902 -14.458 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.602 -13.276 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.460 -15.003 -4.459 1.00 0.00 H new ATOM 934 N ASN A 65 0.797 -10.849 -4.696 1.00 0.00 N ATOM 935 CA ASN A 65 -0.352 -10.514 -5.590 1.00 0.00 C ATOM 936 C ASN A 65 -0.464 -9.006 -5.853 1.00 0.00 C ATOM 937 O ASN A 65 -0.873 -8.601 -6.926 1.00 0.00 O ATOM 938 CB ASN A 65 -1.592 -11.011 -4.838 1.00 0.00 C ATOM 939 CG ASN A 65 -2.804 -10.989 -5.773 1.00 0.00 C ATOM 940 OD1 ASN A 65 -3.015 -11.912 -6.535 1.00 0.00 O ATOM 941 ND2 ASN A 65 -3.616 -9.966 -5.749 1.00 0.00 N ATOM 0 H ASN A 65 1.173 -10.068 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.232 -10.977 -6.569 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.424 -12.022 -4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.779 -10.381 -3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.426 -9.943 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.441 -9.190 -5.110 1.00 0.00 H new ATOM 948 N MET A 66 -0.136 -8.168 -4.897 1.00 0.00 N ATOM 949 CA MET A 66 -0.270 -6.697 -5.136 1.00 0.00 C ATOM 950 C MET A 66 1.079 -6.042 -5.494 1.00 0.00 C ATOM 951 O MET A 66 1.180 -4.836 -5.552 1.00 0.00 O ATOM 952 CB MET A 66 -0.809 -6.145 -3.820 1.00 0.00 C ATOM 953 CG MET A 66 -2.197 -6.731 -3.541 1.00 0.00 C ATOM 954 SD MET A 66 -2.415 -6.947 -1.758 1.00 0.00 S ATOM 955 CE MET A 66 -3.889 -7.994 -1.834 1.00 0.00 C ATOM 0 H MET A 66 0.213 -8.434 -3.976 1.00 0.00 H new ATOM 0 HA MET A 66 -0.924 -6.487 -5.982 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.129 -6.393 -3.005 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.866 -5.058 -3.867 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.968 -6.069 -3.935 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.308 -7.688 -4.050 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.204 -8.253 -0.823 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.692 -7.456 -2.338 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.660 -8.905 -2.387 1.00 0.00 H new ATOM 965 N VAL A 67 2.112 -6.813 -5.732 1.00 0.00 N ATOM 966 CA VAL A 67 3.443 -6.199 -6.069 1.00 0.00 C ATOM 967 C VAL A 67 3.626 -5.986 -7.582 1.00 0.00 C ATOM 968 O VAL A 67 2.953 -6.591 -8.396 1.00 0.00 O ATOM 969 CB VAL A 67 4.492 -7.194 -5.555 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.310 -8.552 -6.244 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.890 -6.656 -5.872 1.00 0.00 C ATOM 0 H VAL A 67 2.096 -7.833 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 67 3.532 -5.213 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 67 4.372 -7.318 -4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.059 -9.252 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.314 -8.939 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.428 -8.432 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.641 -7.358 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.997 -6.534 -6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.028 -5.692 -5.383 1.00 0.00 H new ATOM 981 N GLY A 68 4.568 -5.142 -7.946 1.00 0.00 N ATOM 982 CA GLY A 68 4.858 -4.887 -9.388 1.00 0.00 C ATOM 983 C GLY A 68 4.323 -3.523 -9.828 1.00 0.00 C ATOM 984 O GLY A 68 4.700 -3.022 -10.870 1.00 0.00 O ATOM 0 H GLY A 68 5.151 -4.616 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.934 -4.931 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.407 -5.671 -9.996 1.00 0.00 H new ATOM 988 N HIS A 69 3.447 -2.917 -9.066 1.00 0.00 N ATOM 989 CA HIS A 69 2.907 -1.593 -9.485 1.00 0.00 C ATOM 990 C HIS A 69 3.385 -0.485 -8.537 1.00 0.00 C ATOM 991 O HIS A 69 4.399 0.138 -8.770 1.00 0.00 O ATOM 992 CB HIS A 69 1.380 -1.745 -9.438 1.00 0.00 C ATOM 993 CG HIS A 69 0.932 -2.694 -10.521 1.00 0.00 C ATOM 994 ND1 HIS A 69 1.309 -3.980 -10.830 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.031 -2.348 -11.454 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.592 -4.424 -11.936 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.201 -3.404 -12.272 1.00 0.00 N flip ATOM 0 H HIS A 69 3.087 -3.279 -8.183 1.00 0.00 H new ATOM 0 HA HIS A 69 3.250 -1.309 -10.480 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.072 -2.120 -8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.904 -0.774 -9.572 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.551 -1.403 -11.515 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.662 -5.387 -12.419 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -0.856 -3.422 -13.054 1.00 0.00 H new ATOM 1005 N LYS A 70 2.649 -0.236 -7.485 1.00 0.00 N ATOM 1006 CA LYS A 70 3.022 0.833 -6.497 1.00 0.00 C ATOM 1007 C LYS A 70 1.934 0.924 -5.424 1.00 0.00 C ATOM 1008 O LYS A 70 2.185 1.169 -4.260 1.00 0.00 O ATOM 1009 CB LYS A 70 3.117 2.160 -7.276 1.00 0.00 C ATOM 1010 CG LYS A 70 2.042 2.222 -8.366 1.00 0.00 C ATOM 1011 CD LYS A 70 0.812 2.970 -7.845 1.00 0.00 C ATOM 1012 CE LYS A 70 0.145 3.731 -8.997 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.091 2.958 -9.311 1.00 0.00 N ATOM 0 H LYS A 70 1.788 -0.735 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 70 3.971 0.612 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.997 3.000 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.105 2.254 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.436 2.724 -9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.763 1.213 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.106 2.266 -7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.103 3.665 -7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.093 4.754 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.804 3.790 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.600 3.420 -10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.833 1.990 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.702 2.924 -8.470 1.00 0.00 H new ATOM 1027 N LEU A 71 0.723 0.722 -5.862 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.487 0.775 -4.976 1.00 0.00 C ATOM 1029 C LEU A 71 -1.782 0.484 -5.786 1.00 0.00 C ATOM 1030 O LEU A 71 -2.823 0.231 -5.208 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.516 2.200 -4.385 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.219 3.175 -5.340 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.677 3.359 -4.908 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.505 4.529 -5.297 1.00 0.00 C ATOM 0 H LEU A 71 0.509 0.513 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.438 0.020 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.032 2.189 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.502 2.540 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.189 2.774 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.173 4.052 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.188 2.397 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.708 3.760 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.002 5.224 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.538 4.925 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.533 4.403 -5.604 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.729 0.512 -7.111 1.00 0.00 N ATOM 1047 CA GLY A 72 -2.947 0.233 -7.934 1.00 0.00 C ATOM 1048 C GLY A 72 -3.289 -1.262 -7.882 1.00 0.00 C ATOM 1049 O GLY A 72 -4.386 -1.664 -8.216 1.00 0.00 O ATOM 0 H GLY A 72 -0.887 0.718 -7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.788 0.819 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.776 0.539 -8.966 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.369 -2.082 -7.434 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.647 -3.547 -7.320 1.00 0.00 C ATOM 1055 C GLU A 73 -3.420 -3.803 -6.027 1.00 0.00 C ATOM 1056 O GLU A 73 -4.021 -4.843 -5.838 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.274 -4.214 -7.251 1.00 0.00 C ATOM 1058 CG GLU A 73 -0.746 -4.456 -8.662 1.00 0.00 C ATOM 1059 CD GLU A 73 -0.896 -5.936 -9.020 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -1.989 -6.329 -9.393 1.00 0.00 O ATOM 1061 OE2 GLU A 73 0.087 -6.651 -8.917 1.00 0.00 O ATOM 0 H GLU A 73 -1.434 -1.798 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.238 -3.930 -8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.580 -3.582 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.345 -5.159 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.294 -3.841 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.301 -4.161 -8.725 1.00 0.00 H new ATOM 1068 N PHE A 74 -3.413 -2.833 -5.150 1.00 0.00 N ATOM 1069 CA PHE A 74 -4.143 -2.949 -3.864 1.00 0.00 C ATOM 1070 C PHE A 74 -5.443 -2.147 -3.977 1.00 0.00 C ATOM 1071 O PHE A 74 -6.404 -2.396 -3.273 1.00 0.00 O ATOM 1072 CB PHE A 74 -3.235 -2.316 -2.796 1.00 0.00 C ATOM 1073 CG PHE A 74 -1.788 -2.761 -2.944 1.00 0.00 C ATOM 1074 CD1 PHE A 74 -0.986 -2.249 -3.973 1.00 0.00 C ATOM 1075 CD2 PHE A 74 -1.238 -3.658 -2.024 1.00 0.00 C ATOM 1076 CE1 PHE A 74 0.347 -2.627 -4.077 1.00 0.00 C ATOM 1077 CE2 PHE A 74 0.101 -4.041 -2.135 1.00 0.00 C ATOM 1078 CZ PHE A 74 0.894 -3.522 -3.160 1.00 0.00 C ATOM 0 H PHE A 74 -2.920 -1.949 -5.279 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.381 -3.983 -3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.290 -1.230 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.598 -2.586 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.406 -1.557 -4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.849 -4.055 -1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.960 -2.226 -4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.523 -4.739 -1.427 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.931 -3.814 -3.242 1.00 0.00 H new ATOM 1088 N ALA A 75 -5.472 -1.185 -4.878 1.00 0.00 N ATOM 1089 CA ALA A 75 -6.693 -0.358 -5.071 1.00 0.00 C ATOM 1090 C ALA A 75 -7.025 -0.273 -6.570 1.00 0.00 C ATOM 1091 O ALA A 75 -7.124 0.808 -7.122 1.00 0.00 O ATOM 1092 CB ALA A 75 -6.318 1.018 -4.516 1.00 0.00 C ATOM 0 H ALA A 75 -4.691 -0.943 -5.488 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.571 -0.769 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.166 1.695 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.053 0.926 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.468 1.415 -5.071 1.00 0.00 H new ATOM 1098 N PRO A 76 -7.189 -1.426 -7.186 1.00 0.00 N ATOM 1099 CA PRO A 76 -7.512 -1.480 -8.630 1.00 0.00 C ATOM 1100 C PRO A 76 -9.022 -1.298 -8.837 1.00 0.00 C ATOM 1101 O PRO A 76 -9.675 -2.113 -9.461 1.00 0.00 O ATOM 1102 CB PRO A 76 -7.053 -2.876 -9.042 1.00 0.00 C ATOM 1103 CG PRO A 76 -7.089 -3.702 -7.791 1.00 0.00 C ATOM 1104 CD PRO A 76 -7.089 -2.769 -6.606 1.00 0.00 C ATOM 0 HA PRO A 76 -7.033 -0.697 -9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.709 -3.294 -9.806 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.048 -2.849 -9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.978 -4.332 -7.778 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.226 -4.367 -7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.927 -2.976 -5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.179 -2.878 -6.016 1.00 0.00 H new ATOM 1112 N THR A 77 -9.562 -0.224 -8.302 1.00 0.00 N ATOM 1113 CA THR A 77 -11.031 0.081 -8.420 1.00 0.00 C ATOM 1114 C THR A 77 -11.890 -1.192 -8.282 1.00 0.00 C ATOM 1115 O THR A 77 -12.809 -1.424 -9.047 1.00 0.00 O ATOM 1116 CB THR A 77 -11.210 0.756 -9.797 1.00 0.00 C ATOM 1117 OG1 THR A 77 -12.535 1.259 -9.904 1.00 0.00 O ATOM 1118 CG2 THR A 77 -10.952 -0.236 -10.939 1.00 0.00 C ATOM 0 H THR A 77 -9.033 0.471 -7.775 1.00 0.00 H new ATOM 0 HA THR A 77 -11.367 0.737 -7.617 1.00 0.00 H new ATOM 0 HB THR A 77 -10.488 1.569 -9.878 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.174 0.539 -9.721 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.086 0.268 -11.896 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.933 -0.615 -10.868 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.654 -1.066 -10.865 1.00 0.00 H new ATOM 1126 N ARG A 78 -11.599 -2.008 -7.297 1.00 0.00 N ATOM 1127 CA ARG A 78 -12.393 -3.258 -7.090 1.00 0.00 C ATOM 1128 C ARG A 78 -13.455 -3.030 -6.008 1.00 0.00 C ATOM 1129 O ARG A 78 -13.153 -2.587 -4.914 1.00 0.00 O ATOM 1130 CB ARG A 78 -11.373 -4.307 -6.638 1.00 0.00 C ATOM 1131 CG ARG A 78 -12.026 -5.693 -6.634 1.00 0.00 C ATOM 1132 CD ARG A 78 -11.574 -6.480 -7.868 1.00 0.00 C ATOM 1133 NE ARG A 78 -11.117 -7.797 -7.341 1.00 0.00 N ATOM 1134 CZ ARG A 78 -9.841 -8.027 -7.167 1.00 0.00 C ATOM 1135 NH1 ARG A 78 -9.139 -8.570 -8.129 1.00 0.00 N ATOM 1136 NH2 ARG A 78 -9.269 -7.714 -6.034 1.00 0.00 N ATOM 0 H ARG A 78 -10.844 -1.861 -6.627 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.920 -3.571 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.511 -4.302 -7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.005 -4.065 -5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.753 -6.232 -5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.112 -5.594 -6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.391 -6.602 -8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.769 -5.964 -8.392 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.800 -8.520 -7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.587 -8.813 -9.013 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.144 -8.750 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.818 -7.290 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.274 -7.893 -5.898 1.00 0.00 H new ATOM 1150 N THR A 79 -14.695 -3.328 -6.305 1.00 0.00 N ATOM 1151 CA THR A 79 -15.782 -3.129 -5.297 1.00 0.00 C ATOM 1152 C THR A 79 -15.908 -4.369 -4.402 1.00 0.00 C ATOM 1153 O THR A 79 -16.344 -5.418 -4.839 1.00 0.00 O ATOM 1154 CB THR A 79 -17.064 -2.916 -6.116 1.00 0.00 C ATOM 1155 OG1 THR A 79 -16.878 -1.833 -7.021 1.00 0.00 O ATOM 1156 CG2 THR A 79 -18.232 -2.603 -5.177 1.00 0.00 C ATOM 0 H THR A 79 -15.002 -3.701 -7.203 1.00 0.00 H new ATOM 0 HA THR A 79 -15.582 -2.283 -4.639 1.00 0.00 H new ATOM 0 HB THR A 79 -17.286 -3.824 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.696 -1.699 -7.544 1.00 0.00 H new ATOM 0 HG21 THR A 79 -19.139 -2.453 -5.762 1.00 0.00 H new ATOM 0 HG22 THR A 79 -18.378 -3.435 -4.488 1.00 0.00 H new ATOM 0 HG23 THR A 79 -18.011 -1.698 -4.611 1.00 0.00 H new ATOM 1164 N TYR A 80 -15.526 -4.252 -3.154 1.00 0.00 N ATOM 1165 CA TYR A 80 -15.617 -5.417 -2.222 1.00 0.00 C ATOM 1166 C TYR A 80 -16.042 -4.946 -0.828 1.00 0.00 C ATOM 1167 O TYR A 80 -17.020 -5.409 -0.277 1.00 0.00 O ATOM 1168 CB TYR A 80 -14.204 -6.008 -2.181 1.00 0.00 C ATOM 1169 CG TYR A 80 -14.177 -7.310 -2.949 1.00 0.00 C ATOM 1170 CD1 TYR A 80 -13.898 -7.308 -4.321 1.00 0.00 C ATOM 1171 CD2 TYR A 80 -14.432 -8.519 -2.289 1.00 0.00 C ATOM 1172 CE1 TYR A 80 -13.872 -8.512 -5.033 1.00 0.00 C ATOM 1173 CE2 TYR A 80 -14.406 -9.724 -3.001 1.00 0.00 C ATOM 1174 CZ TYR A 80 -14.126 -9.721 -4.372 1.00 0.00 C ATOM 1175 OH TYR A 80 -14.101 -10.909 -5.075 1.00 0.00 O ATOM 0 H TYR A 80 -15.154 -3.397 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 80 -16.354 -6.150 -2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.492 -5.305 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -13.899 -6.177 -1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -13.703 -6.376 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -14.649 -8.521 -1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.656 -8.510 -6.091 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -14.602 -10.656 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 80 -14.297 -11.653 -4.468 1.00 0.00 H new TER 1185 TYR A 80