USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 180:sc= -0.0282 USER MOD Set 1.2: A 36 MET CE :methyl 140:sc= -0.491 (180deg=-3.42!) USER MOD Set 2.1: A 22 TYR OH : rot 30:sc= 0.934 USER MOD Set 2.2: A 55 HIS : no HE2:sc= -0.691! C(o=0.24!,f=-9.9!) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0145 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.581 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -135:sc= -0.47 (180deg=-1.53) USER MOD Single : A 25 HIS : no HE2:sc= -3.83! C(o=-3.8!,f=-5.7!) USER MOD Single : A 31 TYR OH : rot -3:sc= -0.0368 USER MOD Single : A 32 SER OG : rot -45:sc= 0.184 USER MOD Single : A 40 MET CE :methyl 147:sc= -3.37 (180deg=-5.74!) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0567 F(o=-0.75,f=-0.057) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -3.01! C(o=-3!,f=-3.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 90:sc= 0.246 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0451 USER MOD Single : A 66 MET CE :methyl -169:sc= -1.45 (180deg=-2.2) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 71 THR OG1 : rot 44:sc= 0.904 USER MOD Single : A 72 SER OG : rot 34:sc= 0.00897 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0337 X(o=-0.034,f=-0.034) USER MOD Single : A 76 SER OG : rot -53:sc= 0.00351 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.920 10.535 5.870 1.00 0.00 N ATOM 2 CA GLY A 1 18.677 10.531 6.620 1.00 0.00 C ATOM 3 C GLY A 1 17.574 11.298 5.917 1.00 0.00 C ATOM 4 O GLY A 1 17.832 12.300 5.252 1.00 0.00 O ATOM 0 H1 GLY A 1 20.027 9.629 5.371 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.905 11.311 5.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.719 10.668 6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.355 9.502 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.848 10.967 7.604 1.00 0.00 H new ATOM 8 N SER A 2 16.341 10.824 6.063 1.00 0.00 N ATOM 9 CA SER A 2 15.194 11.468 5.433 1.00 0.00 C ATOM 10 C SER A 2 15.321 11.435 3.913 1.00 0.00 C ATOM 11 O SER A 2 15.038 12.422 3.234 1.00 0.00 O ATOM 12 CB SER A 2 15.067 12.915 5.914 1.00 0.00 C ATOM 13 OG SER A 2 14.968 12.975 7.327 1.00 0.00 O ATOM 0 H SER A 2 16.110 9.996 6.612 1.00 0.00 H new ATOM 0 HA SER A 2 14.297 10.918 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.932 13.489 5.582 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.187 13.375 5.465 1.00 0.00 H new ATOM 0 HG SER A 2 14.890 13.910 7.610 1.00 0.00 H new ATOM 19 N SER A 3 15.748 10.292 3.385 1.00 0.00 N ATOM 20 CA SER A 3 15.917 10.131 1.946 1.00 0.00 C ATOM 21 C SER A 3 14.865 9.181 1.380 1.00 0.00 C ATOM 22 O SER A 3 14.979 7.963 1.509 1.00 0.00 O ATOM 23 CB SER A 3 17.318 9.605 1.631 1.00 0.00 C ATOM 24 OG SER A 3 17.578 8.398 2.327 1.00 0.00 O ATOM 0 H SER A 3 15.983 9.464 3.932 1.00 0.00 H new ATOM 0 HA SER A 3 15.790 11.107 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.414 9.438 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.061 10.354 1.905 1.00 0.00 H new ATOM 0 HG SER A 3 16.795 7.811 2.268 1.00 0.00 H new ATOM 30 N GLY A 4 13.841 9.749 0.750 1.00 0.00 N ATOM 31 CA GLY A 4 12.784 8.940 0.173 1.00 0.00 C ATOM 32 C GLY A 4 12.122 9.611 -1.014 1.00 0.00 C ATOM 33 O GLY A 4 11.568 10.704 -0.889 1.00 0.00 O ATOM 0 H GLY A 4 13.725 10.755 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.195 7.980 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.033 8.733 0.935 1.00 0.00 H new ATOM 37 N SER A 5 12.181 8.958 -2.170 1.00 0.00 N ATOM 38 CA SER A 5 11.588 9.501 -3.386 1.00 0.00 C ATOM 39 C SER A 5 10.235 8.854 -3.666 1.00 0.00 C ATOM 40 O SER A 5 9.871 7.856 -3.044 1.00 0.00 O ATOM 41 CB SER A 5 12.525 9.286 -4.576 1.00 0.00 C ATOM 42 OG SER A 5 12.331 10.283 -5.564 1.00 0.00 O ATOM 0 H SER A 5 12.634 8.052 -2.290 1.00 0.00 H new ATOM 0 HA SER A 5 11.437 10.571 -3.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.560 9.303 -4.236 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.348 8.301 -5.009 1.00 0.00 H new ATOM 0 HG SER A 5 12.943 10.125 -6.313 1.00 0.00 H new ATOM 48 N SER A 6 9.494 9.430 -4.607 1.00 0.00 N ATOM 49 CA SER A 6 8.179 8.913 -4.969 1.00 0.00 C ATOM 50 C SER A 6 8.303 7.753 -5.952 1.00 0.00 C ATOM 51 O SER A 6 9.222 7.712 -6.769 1.00 0.00 O ATOM 52 CB SER A 6 7.321 10.024 -5.577 1.00 0.00 C ATOM 53 OG SER A 6 7.912 10.536 -6.758 1.00 0.00 O ATOM 0 H SER A 6 9.782 10.255 -5.133 1.00 0.00 H new ATOM 0 HA SER A 6 7.697 8.547 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.327 9.638 -5.802 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.194 10.828 -4.852 1.00 0.00 H new ATOM 0 HG SER A 6 7.344 11.243 -7.128 1.00 0.00 H new ATOM 59 N GLY A 7 7.368 6.811 -5.867 1.00 0.00 N ATOM 60 CA GLY A 7 7.390 5.663 -6.755 1.00 0.00 C ATOM 61 C GLY A 7 8.380 4.605 -6.309 1.00 0.00 C ATOM 62 O GLY A 7 9.454 4.465 -6.893 1.00 0.00 O ATOM 0 H GLY A 7 6.597 6.822 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.393 5.226 -6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.643 5.992 -7.763 1.00 0.00 H new ATOM 66 N LEU A 8 8.018 3.858 -5.271 1.00 0.00 N ATOM 67 CA LEU A 8 8.883 2.808 -4.746 1.00 0.00 C ATOM 68 C LEU A 8 8.339 1.428 -5.100 1.00 0.00 C ATOM 69 O LEU A 8 7.310 1.304 -5.765 1.00 0.00 O ATOM 70 CB LEU A 8 9.019 2.942 -3.228 1.00 0.00 C ATOM 71 CG LEU A 8 7.718 2.767 -2.444 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.372 1.293 -2.306 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.830 3.421 -1.075 1.00 0.00 C ATOM 0 H LEU A 8 7.132 3.960 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 8 9.866 2.919 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.739 2.203 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.433 3.924 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 8 6.915 3.257 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.443 1.188 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.250 0.854 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.175 0.779 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.895 3.287 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.645 2.960 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.030 4.486 -1.196 1.00 0.00 H new ATOM 85 N THR A 9 9.038 0.390 -4.651 1.00 0.00 N ATOM 86 CA THR A 9 8.627 -0.982 -4.920 1.00 0.00 C ATOM 87 C THR A 9 8.081 -1.650 -3.664 1.00 0.00 C ATOM 88 O THR A 9 8.518 -1.353 -2.551 1.00 0.00 O ATOM 89 CB THR A 9 9.797 -1.822 -5.467 1.00 0.00 C ATOM 90 OG1 THR A 9 9.355 -3.155 -5.748 1.00 0.00 O ATOM 91 CG2 THR A 9 10.946 -1.863 -4.470 1.00 0.00 C ATOM 0 H THR A 9 9.892 0.474 -4.099 1.00 0.00 H new ATOM 0 HA THR A 9 7.840 -0.933 -5.673 1.00 0.00 H new ATOM 0 HB THR A 9 10.151 -1.356 -6.387 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.104 -3.681 -6.097 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.760 -2.462 -4.878 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.300 -0.850 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.602 -2.307 -3.536 1.00 0.00 H new ATOM 99 N VAL A 10 7.125 -2.554 -3.847 1.00 0.00 N ATOM 100 CA VAL A 10 6.520 -3.266 -2.727 1.00 0.00 C ATOM 101 C VAL A 10 7.557 -3.588 -1.657 1.00 0.00 C ATOM 102 O VAL A 10 7.230 -3.705 -0.477 1.00 0.00 O ATOM 103 CB VAL A 10 5.851 -4.574 -3.189 1.00 0.00 C ATOM 104 CG1 VAL A 10 5.405 -5.398 -1.991 1.00 0.00 C ATOM 105 CG2 VAL A 10 4.677 -4.276 -4.109 1.00 0.00 C ATOM 0 H VAL A 10 6.752 -2.811 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 10 5.760 -2.608 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 10 6.582 -5.158 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.935 -6.318 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.270 -5.642 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.690 -4.825 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.216 -5.212 -4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.942 -3.672 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.030 -3.731 -4.984 1.00 0.00 H new ATOM 115 N GLY A 11 8.810 -3.731 -2.078 1.00 0.00 N ATOM 116 CA GLY A 11 9.876 -4.038 -1.143 1.00 0.00 C ATOM 117 C GLY A 11 10.256 -2.848 -0.285 1.00 0.00 C ATOM 118 O GLY A 11 10.266 -2.937 0.943 1.00 0.00 O ATOM 0 H GLY A 11 9.106 -3.640 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.565 -4.861 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.752 -4.378 -1.695 1.00 0.00 H new ATOM 122 N ASP A 12 10.570 -1.731 -0.932 1.00 0.00 N ATOM 123 CA ASP A 12 10.953 -0.517 -0.220 1.00 0.00 C ATOM 124 C ASP A 12 9.991 -0.235 0.930 1.00 0.00 C ATOM 125 O ASP A 12 10.387 -0.228 2.095 1.00 0.00 O ATOM 126 CB ASP A 12 10.985 0.674 -1.179 1.00 0.00 C ATOM 127 CG ASP A 12 12.345 0.866 -1.820 1.00 0.00 C ATOM 128 OD1 ASP A 12 13.090 -0.129 -1.938 1.00 0.00 O ATOM 129 OD2 ASP A 12 12.665 2.011 -2.203 1.00 0.00 O ATOM 0 H ASP A 12 10.567 -1.641 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 12 11.950 -0.667 0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.237 0.529 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.711 1.580 -0.638 1.00 0.00 H new ATOM 134 N TRP A 13 8.728 -0.002 0.593 1.00 0.00 N ATOM 135 CA TRP A 13 7.710 0.282 1.598 1.00 0.00 C ATOM 136 C TRP A 13 7.694 -0.795 2.677 1.00 0.00 C ATOM 137 O TRP A 13 7.964 -0.520 3.846 1.00 0.00 O ATOM 138 CB TRP A 13 6.331 0.384 0.942 1.00 0.00 C ATOM 139 CG TRP A 13 5.241 -0.255 1.748 1.00 0.00 C ATOM 140 CD1 TRP A 13 4.822 0.110 2.995 1.00 0.00 C ATOM 141 CD2 TRP A 13 4.434 -1.373 1.363 1.00 0.00 C ATOM 142 NE1 TRP A 13 3.802 -0.713 3.409 1.00 0.00 N ATOM 143 CE2 TRP A 13 3.545 -1.631 2.425 1.00 0.00 C ATOM 144 CE3 TRP A 13 4.374 -2.180 0.224 1.00 0.00 C ATOM 145 CZ2 TRP A 13 2.610 -2.661 2.379 1.00 0.00 C ATOM 146 CZ3 TRP A 13 3.446 -3.203 0.180 1.00 0.00 C ATOM 147 CH2 TRP A 13 2.573 -3.436 1.252 1.00 0.00 C ATOM 0 H TRP A 13 8.384 -0.004 -0.367 1.00 0.00 H new ATOM 0 HA TRP A 13 7.954 1.235 2.066 1.00 0.00 H new ATOM 0 HB2 TRP A 13 6.088 1.435 0.785 1.00 0.00 H new ATOM 0 HB3 TRP A 13 6.369 -0.085 -0.041 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.232 0.926 3.572 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.316 -0.650 4.303 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.041 -2.007 -0.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.937 -2.842 3.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.392 -3.834 -0.695 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.858 -4.243 1.187 1.00 0.00 H new ATOM 158 N LEU A 14 7.376 -2.022 2.278 1.00 0.00 N ATOM 159 CA LEU A 14 7.326 -3.141 3.212 1.00 0.00 C ATOM 160 C LEU A 14 8.557 -3.154 4.113 1.00 0.00 C ATOM 161 O LEU A 14 8.478 -3.520 5.285 1.00 0.00 O ATOM 162 CB LEU A 14 7.223 -4.464 2.450 1.00 0.00 C ATOM 163 CG LEU A 14 5.844 -4.769 1.866 1.00 0.00 C ATOM 164 CD1 LEU A 14 5.909 -5.974 0.941 1.00 0.00 C ATOM 165 CD2 LEU A 14 4.835 -5.004 2.980 1.00 0.00 C ATOM 0 H LEU A 14 7.149 -2.267 1.314 1.00 0.00 H new ATOM 0 HA LEU A 14 6.442 -3.020 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.951 -4.456 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.504 -5.275 3.122 1.00 0.00 H new ATOM 0 HG LEU A 14 5.519 -3.907 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.918 -6.175 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.601 -5.769 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.256 -6.843 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.858 -5.220 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.156 -5.849 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.766 -4.112 3.603 1.00 0.00 H new ATOM 177 N ASP A 15 9.694 -2.752 3.556 1.00 0.00 N ATOM 178 CA ASP A 15 10.943 -2.716 4.308 1.00 0.00 C ATOM 179 C ASP A 15 10.821 -1.799 5.520 1.00 0.00 C ATOM 180 O ASP A 15 11.387 -2.073 6.578 1.00 0.00 O ATOM 181 CB ASP A 15 12.090 -2.247 3.411 1.00 0.00 C ATOM 182 CG ASP A 15 13.450 -2.625 3.965 1.00 0.00 C ATOM 183 OD1 ASP A 15 13.816 -3.816 3.876 1.00 0.00 O ATOM 184 OD2 ASP A 15 14.148 -1.731 4.485 1.00 0.00 O ATOM 0 H ASP A 15 9.777 -2.446 2.586 1.00 0.00 H new ATOM 0 HA ASP A 15 11.156 -3.726 4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.972 -2.681 2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.037 -1.165 3.294 1.00 0.00 H new ATOM 189 N SER A 16 10.079 -0.708 5.358 1.00 0.00 N ATOM 190 CA SER A 16 9.886 0.253 6.438 1.00 0.00 C ATOM 191 C SER A 16 9.266 -0.419 7.659 1.00 0.00 C ATOM 192 O SER A 16 9.662 -0.154 8.795 1.00 0.00 O ATOM 193 CB SER A 16 8.997 1.407 5.970 1.00 0.00 C ATOM 194 OG SER A 16 9.698 2.265 5.087 1.00 0.00 O ATOM 0 H SER A 16 9.602 -0.467 4.489 1.00 0.00 H new ATOM 0 HA SER A 16 10.863 0.647 6.719 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.113 1.010 5.471 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.648 1.974 6.833 1.00 0.00 H new ATOM 0 HG SER A 16 9.108 2.993 4.801 1.00 0.00 H new ATOM 200 N ILE A 17 8.292 -1.290 7.417 1.00 0.00 N ATOM 201 CA ILE A 17 7.617 -2.001 8.495 1.00 0.00 C ATOM 202 C ILE A 17 8.287 -3.343 8.772 1.00 0.00 C ATOM 203 O ILE A 17 7.707 -4.215 9.419 1.00 0.00 O ATOM 204 CB ILE A 17 6.131 -2.239 8.170 1.00 0.00 C ATOM 205 CG1 ILE A 17 5.984 -2.858 6.779 1.00 0.00 C ATOM 206 CG2 ILE A 17 5.354 -0.934 8.259 1.00 0.00 C ATOM 207 CD1 ILE A 17 4.601 -3.406 6.504 1.00 0.00 C ATOM 0 H ILE A 17 7.953 -1.520 6.483 1.00 0.00 H new ATOM 0 HA ILE A 17 7.689 -1.371 9.382 1.00 0.00 H new ATOM 0 HB ILE A 17 5.721 -2.934 8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.223 -2.105 6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.713 -3.661 6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.305 -1.118 8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.436 -0.530 9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.763 -0.218 7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.570 -3.829 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.366 -4.182 7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.869 -2.602 6.581 1.00 0.00 H new ATOM 219 N ARG A 18 9.511 -3.500 8.280 1.00 0.00 N ATOM 220 CA ARG A 18 10.261 -4.735 8.475 1.00 0.00 C ATOM 221 C ARG A 18 9.468 -5.937 7.968 1.00 0.00 C ATOM 222 O ARG A 18 9.538 -7.024 8.541 1.00 0.00 O ATOM 223 CB ARG A 18 10.601 -4.922 9.954 1.00 0.00 C ATOM 224 CG ARG A 18 11.585 -3.893 10.488 1.00 0.00 C ATOM 225 CD ARG A 18 13.024 -4.346 10.295 1.00 0.00 C ATOM 226 NE ARG A 18 13.946 -3.624 11.167 1.00 0.00 N ATOM 227 CZ ARG A 18 15.247 -3.509 10.925 1.00 0.00 C ATOM 228 NH1 ARG A 18 15.776 -4.064 9.844 1.00 0.00 N ATOM 229 NH2 ARG A 18 16.022 -2.836 11.767 1.00 0.00 N ATOM 0 H ARG A 18 10.005 -2.787 7.743 1.00 0.00 H new ATOM 0 HA ARG A 18 11.186 -4.664 7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.682 -4.871 10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.017 -5.919 10.099 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.430 -2.942 9.979 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.395 -3.722 11.548 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.098 -5.415 10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.315 -4.196 9.255 1.00 0.00 H new ATOM 0 HE ARG A 18 13.571 -3.184 12.007 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.184 -4.582 9.195 1.00 0.00 H new ATOM 0 HH12 ARG A 18 16.775 -3.974 9.661 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.618 -2.407 12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.021 -2.748 11.581 1.00 0.00 H new ATOM 243 N MET A 19 8.716 -5.732 6.892 1.00 0.00 N ATOM 244 CA MET A 19 7.911 -6.799 6.308 1.00 0.00 C ATOM 245 C MET A 19 8.337 -7.076 4.870 1.00 0.00 C ATOM 246 O MET A 19 7.756 -7.923 4.193 1.00 0.00 O ATOM 247 CB MET A 19 6.427 -6.430 6.351 1.00 0.00 C ATOM 248 CG MET A 19 5.919 -6.119 7.750 1.00 0.00 C ATOM 249 SD MET A 19 6.687 -7.151 9.014 1.00 0.00 S ATOM 250 CE MET A 19 5.963 -8.745 8.634 1.00 0.00 C ATOM 0 H MET A 19 8.647 -4.837 6.407 1.00 0.00 H new ATOM 0 HA MET A 19 8.070 -7.703 6.896 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.257 -5.564 5.711 1.00 0.00 H new ATOM 0 HB3 MET A 19 5.844 -7.252 5.936 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.111 -5.070 7.977 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.838 -6.259 7.779 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.636 -9.225 9.556 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.107 -8.608 7.973 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.705 -9.373 8.141 1.00 0.00 H new ATOM 260 N GLY A 20 9.354 -6.355 4.409 1.00 0.00 N ATOM 261 CA GLY A 20 9.839 -6.538 3.053 1.00 0.00 C ATOM 262 C GLY A 20 10.100 -7.994 2.722 1.00 0.00 C ATOM 263 O GLY A 20 10.188 -8.365 1.552 1.00 0.00 O ATOM 0 H GLY A 20 9.851 -5.647 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.109 -6.134 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.758 -5.968 2.919 1.00 0.00 H new ATOM 267 N ARG A 21 10.224 -8.821 3.755 1.00 0.00 N ATOM 268 CA ARG A 21 10.479 -10.244 3.568 1.00 0.00 C ATOM 269 C ARG A 21 9.351 -10.899 2.777 1.00 0.00 C ATOM 270 O ARG A 21 9.559 -11.902 2.093 1.00 0.00 O ATOM 271 CB ARG A 21 10.637 -10.938 4.922 1.00 0.00 C ATOM 272 CG ARG A 21 9.316 -11.210 5.624 1.00 0.00 C ATOM 273 CD ARG A 21 9.522 -11.990 6.914 1.00 0.00 C ATOM 274 NE ARG A 21 10.187 -13.269 6.680 1.00 0.00 N ATOM 275 CZ ARG A 21 10.305 -14.216 7.604 1.00 0.00 C ATOM 276 NH1 ARG A 21 9.803 -14.029 8.817 1.00 0.00 N ATOM 277 NH2 ARG A 21 10.925 -15.353 7.315 1.00 0.00 N ATOM 0 H ARG A 21 10.152 -8.530 4.730 1.00 0.00 H new ATOM 0 HA ARG A 21 11.405 -10.350 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.163 -11.882 4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.261 -10.320 5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.818 -10.266 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.658 -11.770 4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.116 -11.394 7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.557 -12.165 7.390 1.00 0.00 H new ATOM 0 HE ARG A 21 10.583 -13.445 5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.325 -13.157 9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.895 -14.758 9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.312 -15.500 6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.015 -16.080 8.025 1.00 0.00 H new ATOM 291 N TYR A 22 8.156 -10.326 2.876 1.00 0.00 N ATOM 292 CA TYR A 22 6.994 -10.856 2.172 1.00 0.00 C ATOM 293 C TYR A 22 6.843 -10.203 0.801 1.00 0.00 C ATOM 294 O TYR A 22 6.025 -10.629 -0.014 1.00 0.00 O ATOM 295 CB TYR A 22 5.726 -10.633 2.998 1.00 0.00 C ATOM 296 CG TYR A 22 5.583 -11.593 4.158 1.00 0.00 C ATOM 297 CD1 TYR A 22 5.480 -12.962 3.943 1.00 0.00 C ATOM 298 CD2 TYR A 22 5.550 -11.131 5.468 1.00 0.00 C ATOM 299 CE1 TYR A 22 5.348 -13.843 4.999 1.00 0.00 C ATOM 300 CE2 TYR A 22 5.419 -12.005 6.530 1.00 0.00 C ATOM 301 CZ TYR A 22 5.319 -13.360 6.290 1.00 0.00 C ATOM 302 OH TYR A 22 5.188 -14.233 7.346 1.00 0.00 O ATOM 0 H TYR A 22 7.967 -9.495 3.437 1.00 0.00 H new ATOM 0 HA TYR A 22 7.144 -11.926 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.726 -9.612 3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.857 -10.730 2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.504 -13.344 2.933 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.628 -10.071 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.268 -14.904 4.814 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.395 -11.630 7.542 1.00 0.00 H new ATOM 0 HH TYR A 22 5.591 -15.095 7.110 1.00 0.00 H new ATOM 312 N ARG A 23 7.638 -9.167 0.556 1.00 0.00 N ATOM 313 CA ARG A 23 7.593 -8.453 -0.715 1.00 0.00 C ATOM 314 C ARG A 23 7.544 -9.431 -1.885 1.00 0.00 C ATOM 315 O ARG A 23 6.763 -9.256 -2.821 1.00 0.00 O ATOM 316 CB ARG A 23 8.810 -7.537 -0.852 1.00 0.00 C ATOM 317 CG ARG A 23 10.048 -8.243 -1.380 1.00 0.00 C ATOM 318 CD ARG A 23 11.237 -7.298 -1.460 1.00 0.00 C ATOM 319 NE ARG A 23 12.373 -7.905 -2.149 1.00 0.00 N ATOM 320 CZ ARG A 23 13.108 -8.883 -1.632 1.00 0.00 C ATOM 321 NH1 ARG A 23 12.828 -9.363 -0.428 1.00 0.00 N ATOM 322 NH2 ARG A 23 14.126 -9.384 -2.320 1.00 0.00 N ATOM 0 H ARG A 23 8.321 -8.803 1.220 1.00 0.00 H new ATOM 0 HA ARG A 23 6.687 -7.847 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.560 -6.712 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.038 -7.102 0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.293 -9.084 -0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.841 -8.653 -2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.942 -6.387 -1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.537 -7.007 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 23 12.615 -7.559 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.046 -8.981 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.395 -10.114 -0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.345 -9.018 -3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.690 -10.135 -1.922 1.00 0.00 H new ATOM 336 N ASP A 24 8.384 -10.459 -1.827 1.00 0.00 N ATOM 337 CA ASP A 24 8.436 -11.464 -2.881 1.00 0.00 C ATOM 338 C ASP A 24 7.056 -12.064 -3.129 1.00 0.00 C ATOM 339 O ASP A 24 6.720 -12.432 -4.256 1.00 0.00 O ATOM 340 CB ASP A 24 9.427 -12.569 -2.513 1.00 0.00 C ATOM 341 CG ASP A 24 10.816 -12.031 -2.229 1.00 0.00 C ATOM 342 OD1 ASP A 24 11.264 -11.128 -2.966 1.00 0.00 O ATOM 343 OD2 ASP A 24 11.455 -12.513 -1.270 1.00 0.00 O ATOM 0 H ASP A 24 9.038 -10.618 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 24 8.770 -10.977 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.061 -13.103 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.480 -13.291 -3.328 1.00 0.00 H new ATOM 348 N HIS A 25 6.259 -12.161 -2.070 1.00 0.00 N ATOM 349 CA HIS A 25 4.914 -12.716 -2.173 1.00 0.00 C ATOM 350 C HIS A 25 4.023 -11.828 -3.035 1.00 0.00 C ATOM 351 O HIS A 25 3.381 -12.299 -3.974 1.00 0.00 O ATOM 352 CB HIS A 25 4.299 -12.879 -0.782 1.00 0.00 C ATOM 353 CG HIS A 25 5.127 -13.715 0.145 1.00 0.00 C ATOM 354 ND1 HIS A 25 4.646 -14.847 0.769 1.00 0.00 N ATOM 355 CD2 HIS A 25 6.411 -13.580 0.551 1.00 0.00 C ATOM 356 CE1 HIS A 25 5.598 -15.370 1.521 1.00 0.00 C ATOM 357 NE2 HIS A 25 6.680 -14.621 1.405 1.00 0.00 N ATOM 0 H HIS A 25 6.521 -11.863 -1.131 1.00 0.00 H new ATOM 0 HA HIS A 25 4.987 -13.695 -2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.156 -11.893 -0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.312 -13.330 -0.881 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.703 -15.222 0.666 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.097 -12.799 0.258 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.507 -16.259 2.128 1.00 0.00 H new ATOM 366 N PHE A 26 3.989 -10.539 -2.710 1.00 0.00 N ATOM 367 CA PHE A 26 3.175 -9.585 -3.454 1.00 0.00 C ATOM 368 C PHE A 26 3.367 -9.762 -4.957 1.00 0.00 C ATOM 369 O PHE A 26 2.399 -9.810 -5.716 1.00 0.00 O ATOM 370 CB PHE A 26 3.532 -8.153 -3.048 1.00 0.00 C ATOM 371 CG PHE A 26 2.786 -7.670 -1.837 1.00 0.00 C ATOM 372 CD1 PHE A 26 3.187 -8.043 -0.565 1.00 0.00 C ATOM 373 CD2 PHE A 26 1.682 -6.843 -1.972 1.00 0.00 C ATOM 374 CE1 PHE A 26 2.503 -7.600 0.551 1.00 0.00 C ATOM 375 CE2 PHE A 26 0.994 -6.396 -0.859 1.00 0.00 C ATOM 376 CZ PHE A 26 1.405 -6.776 0.404 1.00 0.00 C ATOM 0 H PHE A 26 4.515 -10.132 -1.937 1.00 0.00 H new ATOM 0 HA PHE A 26 2.128 -9.774 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.603 -8.096 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.324 -7.484 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.045 -8.688 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.356 -6.544 -2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.827 -7.898 1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.136 -5.750 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.868 -6.429 1.275 1.00 0.00 H new ATOM 386 N ALA A 27 4.623 -9.858 -5.380 1.00 0.00 N ATOM 387 CA ALA A 27 4.943 -10.031 -6.792 1.00 0.00 C ATOM 388 C ALA A 27 4.261 -11.270 -7.361 1.00 0.00 C ATOM 389 O ALA A 27 3.962 -11.334 -8.553 1.00 0.00 O ATOM 390 CB ALA A 27 6.450 -10.120 -6.984 1.00 0.00 C ATOM 0 H ALA A 27 5.436 -9.819 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 27 4.569 -9.162 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.675 -10.249 -8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.918 -9.204 -6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.838 -10.971 -6.424 1.00 0.00 H new ATOM 396 N ALA A 28 4.018 -12.254 -6.501 1.00 0.00 N ATOM 397 CA ALA A 28 3.370 -13.491 -6.919 1.00 0.00 C ATOM 398 C ALA A 28 1.857 -13.319 -6.998 1.00 0.00 C ATOM 399 O ALA A 28 1.200 -13.902 -7.860 1.00 0.00 O ATOM 400 CB ALA A 28 3.724 -14.621 -5.964 1.00 0.00 C ATOM 0 H ALA A 28 4.260 -12.218 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 28 3.734 -13.743 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.233 -15.539 -6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.804 -14.769 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.389 -14.366 -4.959 1.00 0.00 H new ATOM 406 N GLY A 29 1.309 -12.513 -6.093 1.00 0.00 N ATOM 407 CA GLY A 29 -0.123 -12.279 -6.079 1.00 0.00 C ATOM 408 C GLY A 29 -0.558 -11.280 -7.132 1.00 0.00 C ATOM 409 O GLY A 29 -1.721 -10.881 -7.177 1.00 0.00 O ATOM 0 H GLY A 29 1.831 -12.018 -5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.644 -13.223 -6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.419 -11.917 -5.095 1.00 0.00 H new ATOM 413 N GLY A 30 0.379 -10.872 -7.982 1.00 0.00 N ATOM 414 CA GLY A 30 0.067 -9.915 -9.027 1.00 0.00 C ATOM 415 C GLY A 30 0.317 -8.483 -8.596 1.00 0.00 C ATOM 416 O GLY A 30 -0.167 -7.544 -9.228 1.00 0.00 O ATOM 0 H GLY A 30 1.349 -11.187 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.668 -10.136 -9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.978 -10.027 -9.317 1.00 0.00 H new ATOM 420 N TYR A 31 1.071 -8.316 -7.516 1.00 0.00 N ATOM 421 CA TYR A 31 1.380 -6.988 -6.998 1.00 0.00 C ATOM 422 C TYR A 31 2.888 -6.761 -6.946 1.00 0.00 C ATOM 423 O TYR A 31 3.567 -7.229 -6.033 1.00 0.00 O ATOM 424 CB TYR A 31 0.778 -6.810 -5.603 1.00 0.00 C ATOM 425 CG TYR A 31 -0.719 -7.015 -5.558 1.00 0.00 C ATOM 426 CD1 TYR A 31 -1.261 -8.277 -5.349 1.00 0.00 C ATOM 427 CD2 TYR A 31 -1.592 -5.946 -5.725 1.00 0.00 C ATOM 428 CE1 TYR A 31 -2.628 -8.469 -5.309 1.00 0.00 C ATOM 429 CE2 TYR A 31 -2.960 -6.129 -5.684 1.00 0.00 C ATOM 430 CZ TYR A 31 -3.474 -7.392 -5.476 1.00 0.00 C ATOM 431 OH TYR A 31 -4.837 -7.579 -5.435 1.00 0.00 O ATOM 0 H TYR A 31 1.480 -9.083 -6.982 1.00 0.00 H new ATOM 0 HA TYR A 31 0.943 -6.251 -7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.253 -7.513 -4.919 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.010 -5.808 -5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.602 -9.122 -5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.193 -4.956 -5.890 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.033 -9.457 -5.148 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.624 -5.287 -5.814 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.033 -8.533 -5.328 1.00 0.00 H new ATOM 441 N SER A 32 3.405 -6.038 -7.934 1.00 0.00 N ATOM 442 CA SER A 32 4.832 -5.749 -8.005 1.00 0.00 C ATOM 443 C SER A 32 5.093 -4.255 -7.846 1.00 0.00 C ATOM 444 O SER A 32 6.212 -3.783 -8.051 1.00 0.00 O ATOM 445 CB SER A 32 5.408 -6.240 -9.335 1.00 0.00 C ATOM 446 OG SER A 32 6.819 -6.347 -9.271 1.00 0.00 O ATOM 0 H SER A 32 2.856 -5.641 -8.697 1.00 0.00 H new ATOM 0 HA SER A 32 5.325 -6.275 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.978 -7.210 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.128 -5.552 -10.132 1.00 0.00 H new ATOM 0 HG SER A 32 7.189 -5.546 -8.845 1.00 0.00 H new ATOM 452 N SER A 33 4.052 -3.514 -7.478 1.00 0.00 N ATOM 453 CA SER A 33 4.167 -2.072 -7.295 1.00 0.00 C ATOM 454 C SER A 33 3.254 -1.594 -6.170 1.00 0.00 C ATOM 455 O SER A 33 2.394 -2.335 -5.695 1.00 0.00 O ATOM 456 CB SER A 33 3.820 -1.343 -8.594 1.00 0.00 C ATOM 457 OG SER A 33 4.496 -1.918 -9.698 1.00 0.00 O ATOM 0 H SER A 33 3.120 -3.889 -7.301 1.00 0.00 H new ATOM 0 HA SER A 33 5.198 -1.845 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.744 -1.384 -8.761 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.089 -0.290 -8.507 1.00 0.00 H new ATOM 0 HG SER A 33 4.256 -1.435 -10.516 1.00 0.00 H new ATOM 463 N LEU A 34 3.448 -0.349 -5.748 1.00 0.00 N ATOM 464 CA LEU A 34 2.642 0.230 -4.679 1.00 0.00 C ATOM 465 C LEU A 34 1.270 0.648 -5.196 1.00 0.00 C ATOM 466 O LEU A 34 0.248 0.379 -4.566 1.00 0.00 O ATOM 467 CB LEU A 34 3.360 1.437 -4.069 1.00 0.00 C ATOM 468 CG LEU A 34 4.308 1.111 -2.915 1.00 0.00 C ATOM 469 CD1 LEU A 34 3.591 1.246 -1.581 1.00 0.00 C ATOM 470 CD2 LEU A 34 4.880 -0.289 -3.075 1.00 0.00 C ATOM 0 H LEU A 34 4.156 0.278 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 34 2.503 -0.530 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.926 1.938 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.611 2.145 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 34 5.133 1.824 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.282 1.010 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.230 2.268 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.747 0.557 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.553 -0.504 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.067 -1.015 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.430 -0.352 -4.014 1.00 0.00 H new ATOM 482 N GLY A 35 1.255 1.308 -6.351 1.00 0.00 N ATOM 483 CA GLY A 35 0.003 1.753 -6.934 1.00 0.00 C ATOM 484 C GLY A 35 -1.084 0.700 -6.846 1.00 0.00 C ATOM 485 O GLY A 35 -2.267 1.026 -6.746 1.00 0.00 O ATOM 0 H GLY A 35 2.087 1.542 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.330 2.658 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.166 2.016 -7.979 1.00 0.00 H new ATOM 489 N MET A 36 -0.684 -0.567 -6.886 1.00 0.00 N ATOM 490 CA MET A 36 -1.634 -1.671 -6.810 1.00 0.00 C ATOM 491 C MET A 36 -1.773 -2.170 -5.376 1.00 0.00 C ATOM 492 O MET A 36 -2.762 -2.815 -5.026 1.00 0.00 O ATOM 493 CB MET A 36 -1.189 -2.817 -7.721 1.00 0.00 C ATOM 494 CG MET A 36 0.251 -3.248 -7.497 1.00 0.00 C ATOM 495 SD MET A 36 0.973 -4.039 -8.947 1.00 0.00 S ATOM 496 CE MET A 36 0.765 -2.750 -10.174 1.00 0.00 C ATOM 0 H MET A 36 0.291 -0.854 -6.971 1.00 0.00 H new ATOM 0 HA MET A 36 -2.605 -1.307 -7.144 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.845 -3.673 -7.561 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.311 -2.512 -8.760 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.849 -2.377 -7.227 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.293 -3.937 -6.653 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.653 -2.701 -10.805 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.106 -2.971 -10.790 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.622 -1.792 -9.674 1.00 0.00 H new ATOM 506 N VAL A 37 -0.777 -1.869 -4.549 1.00 0.00 N ATOM 507 CA VAL A 37 -0.790 -2.287 -3.152 1.00 0.00 C ATOM 508 C VAL A 37 -1.720 -1.408 -2.324 1.00 0.00 C ATOM 509 O VAL A 37 -2.390 -1.886 -1.409 1.00 0.00 O ATOM 510 CB VAL A 37 0.623 -2.241 -2.540 1.00 0.00 C ATOM 511 CG1 VAL A 37 0.551 -2.335 -1.023 1.00 0.00 C ATOM 512 CG2 VAL A 37 1.488 -3.354 -3.111 1.00 0.00 C ATOM 0 H VAL A 37 0.049 -1.337 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.153 -3.314 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 37 1.082 -1.287 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.558 -2.301 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.030 -1.499 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.073 -3.273 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.482 -3.306 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.036 -4.319 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.567 -3.236 -4.192 1.00 0.00 H new ATOM 522 N LEU A 38 -1.757 -0.121 -2.652 1.00 0.00 N ATOM 523 CA LEU A 38 -2.606 0.826 -1.939 1.00 0.00 C ATOM 524 C LEU A 38 -4.076 0.440 -2.064 1.00 0.00 C ATOM 525 O LEU A 38 -4.909 0.859 -1.260 1.00 0.00 O ATOM 526 CB LEU A 38 -2.390 2.242 -2.477 1.00 0.00 C ATOM 527 CG LEU A 38 -1.190 2.983 -1.887 1.00 0.00 C ATOM 528 CD1 LEU A 38 -1.463 3.376 -0.443 1.00 0.00 C ATOM 529 CD2 LEU A 38 0.063 2.126 -1.980 1.00 0.00 C ATOM 0 H LEU A 38 -1.209 0.290 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.331 0.800 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.268 2.188 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.289 2.828 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.028 3.893 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.598 3.902 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.336 4.028 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.651 2.480 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.907 2.669 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.088 1.199 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.269 1.895 -3.025 1.00 0.00 H new ATOM 541 N ARG A 39 -4.387 -0.361 -3.078 1.00 0.00 N ATOM 542 CA ARG A 39 -5.757 -0.803 -3.310 1.00 0.00 C ATOM 543 C ARG A 39 -5.936 -2.260 -2.893 1.00 0.00 C ATOM 544 O ARG A 39 -6.912 -2.908 -3.270 1.00 0.00 O ATOM 545 CB ARG A 39 -6.127 -0.634 -4.785 1.00 0.00 C ATOM 546 CG ARG A 39 -5.815 -1.856 -5.634 1.00 0.00 C ATOM 547 CD ARG A 39 -5.876 -1.532 -7.119 1.00 0.00 C ATOM 548 NE ARG A 39 -5.229 -2.559 -7.930 1.00 0.00 N ATOM 549 CZ ARG A 39 -5.790 -3.728 -8.219 1.00 0.00 C ATOM 550 NH1 ARG A 39 -7.002 -4.016 -7.766 1.00 0.00 N ATOM 551 NH2 ARG A 39 -5.138 -4.612 -8.964 1.00 0.00 N ATOM 0 H ARG A 39 -3.709 -0.717 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.419 -0.185 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.191 -0.411 -4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.592 0.225 -5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.823 -2.232 -5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.524 -2.651 -5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.917 -1.431 -7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.395 -0.571 -7.300 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.296 -2.369 -8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.507 -3.339 -7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.430 -4.914 -7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.205 -4.394 -9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.569 -5.509 -9.185 1.00 0.00 H new ATOM 565 N MET A 40 -4.988 -2.768 -2.112 1.00 0.00 N ATOM 566 CA MET A 40 -5.042 -4.148 -1.644 1.00 0.00 C ATOM 567 C MET A 40 -5.683 -4.228 -0.262 1.00 0.00 C ATOM 568 O MET A 40 -5.847 -3.214 0.416 1.00 0.00 O ATOM 569 CB MET A 40 -3.637 -4.750 -1.603 1.00 0.00 C ATOM 570 CG MET A 40 -3.187 -5.335 -2.932 1.00 0.00 C ATOM 571 SD MET A 40 -1.646 -6.261 -2.797 1.00 0.00 S ATOM 572 CE MET A 40 -1.990 -7.285 -1.368 1.00 0.00 C ATOM 0 H MET A 40 -4.174 -2.245 -1.790 1.00 0.00 H new ATOM 0 HA MET A 40 -5.654 -4.719 -2.342 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.929 -3.980 -1.296 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.607 -5.531 -0.843 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.967 -5.990 -3.319 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.060 -4.529 -3.655 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.487 -8.246 -1.479 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.628 -6.788 -0.468 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.065 -7.446 -1.286 1.00 0.00 H new ATOM 582 N ASN A 41 -6.043 -5.439 0.149 1.00 0.00 N ATOM 583 CA ASN A 41 -6.667 -5.651 1.450 1.00 0.00 C ATOM 584 C ASN A 41 -6.420 -7.072 1.947 1.00 0.00 C ATOM 585 O ASN A 41 -5.872 -7.906 1.227 1.00 0.00 O ATOM 586 CB ASN A 41 -8.171 -5.381 1.368 1.00 0.00 C ATOM 587 CG ASN A 41 -8.739 -5.687 -0.005 1.00 0.00 C ATOM 588 OD1 ASN A 41 -9.091 -6.947 -0.232 1.00 0.00 O flip ATOM 589 ND2 ASN A 41 -8.859 -4.800 -0.850 1.00 0.00 N flip ATOM 0 H ASN A 41 -5.913 -6.289 -0.400 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.218 -4.955 2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.687 -5.985 2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.364 -4.337 1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.575 -3.845 -0.631 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.242 -5.020 -1.769 1.00 0.00 H new ATOM 596 N ALA A 42 -6.829 -7.340 3.183 1.00 0.00 N ATOM 597 CA ALA A 42 -6.655 -8.660 3.776 1.00 0.00 C ATOM 598 C ALA A 42 -6.943 -9.760 2.760 1.00 0.00 C ATOM 599 O ALA A 42 -6.193 -10.729 2.652 1.00 0.00 O ATOM 600 CB ALA A 42 -7.554 -8.815 4.994 1.00 0.00 C ATOM 0 H ALA A 42 -7.283 -6.660 3.793 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.616 -8.755 4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.413 -9.806 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.298 -8.056 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.595 -8.694 4.695 1.00 0.00 H new ATOM 606 N GLN A 43 -8.035 -9.603 2.018 1.00 0.00 N ATOM 607 CA GLN A 43 -8.422 -10.585 1.012 1.00 0.00 C ATOM 608 C GLN A 43 -7.260 -10.887 0.071 1.00 0.00 C ATOM 609 O GLN A 43 -6.909 -12.047 -0.145 1.00 0.00 O ATOM 610 CB GLN A 43 -9.624 -10.081 0.212 1.00 0.00 C ATOM 611 CG GLN A 43 -10.442 -11.193 -0.423 1.00 0.00 C ATOM 612 CD GLN A 43 -11.686 -10.677 -1.120 1.00 0.00 C ATOM 613 OE1 GLN A 43 -11.646 -10.310 -2.295 1.00 0.00 O ATOM 614 NE2 GLN A 43 -12.800 -10.647 -0.399 1.00 0.00 N ATOM 0 H GLN A 43 -8.667 -8.806 2.095 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.698 -11.505 1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.268 -9.497 0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.273 -9.408 -0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.823 -11.729 -1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.731 -11.910 0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.788 -10.961 0.571 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.668 -10.310 -0.815 1.00 0.00 H new ATOM 623 N ASP A 44 -6.668 -9.836 -0.486 1.00 0.00 N ATOM 624 CA ASP A 44 -5.545 -9.989 -1.404 1.00 0.00 C ATOM 625 C ASP A 44 -4.284 -10.408 -0.655 1.00 0.00 C ATOM 626 O ASP A 44 -3.641 -11.397 -1.005 1.00 0.00 O ATOM 627 CB ASP A 44 -5.295 -8.682 -2.158 1.00 0.00 C ATOM 628 CG ASP A 44 -6.309 -8.447 -3.261 1.00 0.00 C ATOM 629 OD1 ASP A 44 -6.298 -9.209 -4.250 1.00 0.00 O ATOM 630 OD2 ASP A 44 -7.114 -7.501 -3.134 1.00 0.00 O ATOM 0 H ASP A 44 -6.947 -8.869 -0.318 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.796 -10.771 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.327 -7.849 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.293 -8.699 -2.587 1.00 0.00 H new ATOM 635 N VAL A 45 -3.936 -9.648 0.379 1.00 0.00 N ATOM 636 CA VAL A 45 -2.752 -9.940 1.178 1.00 0.00 C ATOM 637 C VAL A 45 -2.704 -11.412 1.572 1.00 0.00 C ATOM 638 O VAL A 45 -1.725 -12.106 1.300 1.00 0.00 O ATOM 639 CB VAL A 45 -2.708 -9.076 2.452 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.532 -9.478 3.330 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.635 -7.600 2.093 1.00 0.00 C ATOM 0 H VAL A 45 -4.457 -8.826 0.683 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.886 -9.705 0.559 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.626 -9.244 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.517 -8.857 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.633 -10.525 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.602 -9.341 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.605 -7.005 3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.735 -7.412 1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.513 -7.324 1.509 1.00 0.00 H new ATOM 651 N ARG A 46 -3.769 -11.881 2.214 1.00 0.00 N ATOM 652 CA ARG A 46 -3.849 -13.271 2.646 1.00 0.00 C ATOM 653 C ARG A 46 -3.339 -14.210 1.557 1.00 0.00 C ATOM 654 O ARG A 46 -2.559 -15.123 1.825 1.00 0.00 O ATOM 655 CB ARG A 46 -5.290 -13.632 3.012 1.00 0.00 C ATOM 656 CG ARG A 46 -5.396 -14.709 4.079 1.00 0.00 C ATOM 657 CD ARG A 46 -4.958 -16.065 3.548 1.00 0.00 C ATOM 658 NE ARG A 46 -5.677 -16.434 2.331 1.00 0.00 N ATOM 659 CZ ARG A 46 -6.897 -16.958 2.329 1.00 0.00 C ATOM 660 NH1 ARG A 46 -7.532 -17.174 3.473 1.00 0.00 N ATOM 661 NH2 ARG A 46 -7.485 -17.267 1.180 1.00 0.00 N ATOM 0 H ARG A 46 -4.588 -11.319 2.446 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.218 -13.388 3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.803 -12.736 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.810 -13.969 2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.779 -14.436 4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.425 -14.771 4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.887 -16.046 3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.124 -16.825 4.312 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.217 -16.281 1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.083 -16.937 4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.469 -17.577 3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.000 -17.102 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.422 -17.670 1.179 1.00 0.00 H new ATOM 675 N ALA A 47 -3.786 -13.978 0.327 1.00 0.00 N ATOM 676 CA ALA A 47 -3.374 -14.802 -0.803 1.00 0.00 C ATOM 677 C ALA A 47 -1.855 -14.846 -0.926 1.00 0.00 C ATOM 678 O ALA A 47 -1.281 -15.869 -1.297 1.00 0.00 O ATOM 679 CB ALA A 47 -3.995 -14.280 -2.091 1.00 0.00 C ATOM 0 H ALA A 47 -4.433 -13.227 0.088 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.727 -15.818 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.679 -14.905 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.082 -14.307 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.670 -13.254 -2.262 1.00 0.00 H new ATOM 685 N LEU A 48 -1.208 -13.728 -0.613 1.00 0.00 N ATOM 686 CA LEU A 48 0.246 -13.638 -0.689 1.00 0.00 C ATOM 687 C LEU A 48 0.903 -14.677 0.214 1.00 0.00 C ATOM 688 O LEU A 48 2.008 -15.143 -0.059 1.00 0.00 O ATOM 689 CB LEU A 48 0.712 -12.235 -0.295 1.00 0.00 C ATOM 690 CG LEU A 48 0.188 -11.106 -1.183 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.952 -9.819 -0.918 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.287 -11.494 -2.651 1.00 0.00 C ATOM 0 H LEU A 48 -1.668 -12.871 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 48 0.544 -13.837 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.404 -12.041 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.802 -12.213 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.861 -10.937 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.565 -9.027 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.830 -9.532 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.010 -9.973 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.090 -10.679 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.328 -11.691 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.306 -12.391 -2.831 1.00 0.00 H new ATOM 704 N GLY A 49 0.213 -15.036 1.293 1.00 0.00 N ATOM 705 CA GLY A 49 0.745 -16.017 2.221 1.00 0.00 C ATOM 706 C GLY A 49 0.861 -15.477 3.632 1.00 0.00 C ATOM 707 O GLY A 49 0.888 -16.242 4.597 1.00 0.00 O ATOM 0 H GLY A 49 -0.704 -14.665 1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.101 -16.897 2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.727 -16.342 1.878 1.00 0.00 H new ATOM 711 N ILE A 50 0.931 -14.156 3.755 1.00 0.00 N ATOM 712 CA ILE A 50 1.046 -13.515 5.059 1.00 0.00 C ATOM 713 C ILE A 50 -0.270 -13.590 5.826 1.00 0.00 C ATOM 714 O ILE A 50 -1.209 -12.844 5.547 1.00 0.00 O ATOM 715 CB ILE A 50 1.466 -12.039 4.926 1.00 0.00 C ATOM 716 CG1 ILE A 50 2.556 -11.890 3.863 1.00 0.00 C ATOM 717 CG2 ILE A 50 1.947 -11.502 6.265 1.00 0.00 C ATOM 718 CD1 ILE A 50 2.015 -11.620 2.476 1.00 0.00 C ATOM 0 H ILE A 50 0.910 -13.508 2.967 1.00 0.00 H new ATOM 0 HA ILE A 50 1.816 -14.055 5.609 1.00 0.00 H new ATOM 0 HB ILE A 50 0.599 -11.457 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.222 -11.076 4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.156 -12.800 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.240 -10.458 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.143 -11.577 6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.803 -12.085 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.844 -11.526 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.372 -12.445 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.439 -10.695 2.484 1.00 0.00 H new ATOM 730 N THR A 51 -0.331 -14.496 6.797 1.00 0.00 N ATOM 731 CA THR A 51 -1.531 -14.670 7.606 1.00 0.00 C ATOM 732 C THR A 51 -1.250 -14.379 9.076 1.00 0.00 C ATOM 733 O THR A 51 -2.162 -14.072 9.843 1.00 0.00 O ATOM 734 CB THR A 51 -2.094 -16.097 7.476 1.00 0.00 C ATOM 735 OG1 THR A 51 -1.091 -17.055 7.831 1.00 0.00 O ATOM 736 CG2 THR A 51 -2.575 -16.362 6.057 1.00 0.00 C ATOM 0 H THR A 51 0.437 -15.121 7.042 1.00 0.00 H new ATOM 0 HA THR A 51 -2.269 -13.961 7.232 1.00 0.00 H new ATOM 0 HB THR A 51 -2.942 -16.192 8.154 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.458 -17.960 7.747 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.968 -17.376 5.990 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.360 -15.651 5.800 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.742 -16.249 5.363 1.00 0.00 H new ATOM 744 N LEU A 52 0.018 -14.476 9.461 1.00 0.00 N ATOM 745 CA LEU A 52 0.420 -14.222 10.840 1.00 0.00 C ATOM 746 C LEU A 52 -0.147 -12.895 11.337 1.00 0.00 C ATOM 747 O LEU A 52 0.295 -11.825 10.919 1.00 0.00 O ATOM 748 CB LEU A 52 1.946 -14.214 10.956 1.00 0.00 C ATOM 749 CG LEU A 52 2.588 -15.589 11.132 1.00 0.00 C ATOM 750 CD1 LEU A 52 2.115 -16.238 12.424 1.00 0.00 C ATOM 751 CD2 LEU A 52 2.275 -16.481 9.940 1.00 0.00 C ATOM 0 H LEU A 52 0.785 -14.729 8.838 1.00 0.00 H new ATOM 0 HA LEU A 52 0.020 -15.023 11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.361 -13.748 10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.228 -13.587 11.802 1.00 0.00 H new ATOM 0 HG LEU A 52 3.669 -15.459 11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.583 -17.217 12.532 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.391 -15.608 13.270 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.032 -16.355 12.397 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.741 -17.456 10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.196 -16.604 9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.664 -16.023 9.031 1.00 0.00 H new ATOM 763 N MET A 53 -1.127 -12.975 12.230 1.00 0.00 N ATOM 764 CA MET A 53 -1.754 -11.780 12.785 1.00 0.00 C ATOM 765 C MET A 53 -0.736 -10.655 12.941 1.00 0.00 C ATOM 766 O MET A 53 -0.980 -9.522 12.529 1.00 0.00 O ATOM 767 CB MET A 53 -2.395 -12.096 14.137 1.00 0.00 C ATOM 768 CG MET A 53 -3.821 -12.609 14.029 1.00 0.00 C ATOM 769 SD MET A 53 -3.910 -14.275 13.344 1.00 0.00 S ATOM 770 CE MET A 53 -4.807 -13.969 11.824 1.00 0.00 C ATOM 0 H MET A 53 -1.505 -13.853 12.585 1.00 0.00 H new ATOM 0 HA MET A 53 -2.529 -11.451 12.092 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.788 -12.840 14.652 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.387 -11.197 14.753 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.281 -12.601 15.017 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.400 -11.931 13.402 1.00 0.00 H new ATOM 0 HE1 MET A 53 -4.942 -14.907 11.286 1.00 0.00 H new ATOM 0 HE2 MET A 53 -5.782 -13.541 12.057 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.244 -13.272 11.203 1.00 0.00 H new ATOM 780 N GLY A 54 0.407 -10.976 13.541 1.00 0.00 N ATOM 781 CA GLY A 54 1.444 -9.981 13.742 1.00 0.00 C ATOM 782 C GLY A 54 1.889 -9.337 12.443 1.00 0.00 C ATOM 783 O GLY A 54 1.919 -8.111 12.329 1.00 0.00 O ATOM 0 H GLY A 54 0.633 -11.907 13.891 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.077 -9.210 14.419 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.302 -10.448 14.225 1.00 0.00 H new ATOM 787 N HIS A 55 2.236 -10.164 11.463 1.00 0.00 N ATOM 788 CA HIS A 55 2.683 -9.667 10.166 1.00 0.00 C ATOM 789 C HIS A 55 1.525 -9.038 9.397 1.00 0.00 C ATOM 790 O HIS A 55 1.581 -7.868 9.021 1.00 0.00 O ATOM 791 CB HIS A 55 3.299 -10.802 9.346 1.00 0.00 C ATOM 792 CG HIS A 55 4.205 -11.691 10.140 1.00 0.00 C ATOM 793 ND1 HIS A 55 4.862 -12.775 9.597 1.00 0.00 N ATOM 794 CD2 HIS A 55 4.564 -11.651 11.445 1.00 0.00 C ATOM 795 CE1 HIS A 55 5.584 -13.364 10.533 1.00 0.00 C ATOM 796 NE2 HIS A 55 5.421 -12.701 11.663 1.00 0.00 N ATOM 0 H HIS A 55 2.217 -11.181 11.541 1.00 0.00 H new ATOM 0 HA HIS A 55 3.440 -8.902 10.339 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.499 -11.404 8.916 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.860 -10.375 8.514 1.00 0.00 H new ATOM 0 HD1 HIS A 55 4.800 -13.075 8.624 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.237 -10.928 12.178 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.202 -14.239 10.397 1.00 0.00 H new ATOM 805 N GLN A 56 0.478 -9.824 9.167 1.00 0.00 N ATOM 806 CA GLN A 56 -0.692 -9.343 8.442 1.00 0.00 C ATOM 807 C GLN A 56 -1.072 -7.936 8.891 1.00 0.00 C ATOM 808 O GLN A 56 -1.484 -7.104 8.083 1.00 0.00 O ATOM 809 CB GLN A 56 -1.873 -10.293 8.649 1.00 0.00 C ATOM 810 CG GLN A 56 -1.965 -11.388 7.598 1.00 0.00 C ATOM 811 CD GLN A 56 -3.371 -11.934 7.446 1.00 0.00 C ATOM 812 OE1 GLN A 56 -4.185 -11.850 8.365 1.00 0.00 O ATOM 813 NE2 GLN A 56 -3.663 -12.499 6.280 1.00 0.00 N ATOM 0 H GLN A 56 0.416 -10.795 9.472 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.442 -9.311 7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.791 -10.752 9.634 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.798 -9.716 8.643 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.626 -10.996 6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.290 -12.201 7.866 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.957 -12.547 5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.593 -12.885 6.119 1.00 0.00 H new ATOM 822 N LYS A 57 -0.930 -7.676 10.186 1.00 0.00 N ATOM 823 CA LYS A 57 -1.257 -6.370 10.745 1.00 0.00 C ATOM 824 C LYS A 57 -0.289 -5.304 10.239 1.00 0.00 C ATOM 825 O LYS A 57 -0.695 -4.192 9.902 1.00 0.00 O ATOM 826 CB LYS A 57 -1.220 -6.422 12.274 1.00 0.00 C ATOM 827 CG LYS A 57 -2.515 -6.914 12.897 1.00 0.00 C ATOM 828 CD LYS A 57 -2.672 -6.416 14.324 1.00 0.00 C ATOM 829 CE LYS A 57 -3.533 -7.358 15.151 1.00 0.00 C ATOM 830 NZ LYS A 57 -3.188 -7.298 16.599 1.00 0.00 N ATOM 0 H LYS A 57 -0.590 -8.353 10.869 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.264 -6.106 10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.405 -7.074 12.587 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.997 -5.426 12.658 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.360 -6.575 12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.534 -8.004 12.887 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.690 -6.318 14.787 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.121 -5.423 14.317 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.584 -7.101 15.017 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.406 -8.378 14.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.797 -7.954 17.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.192 -7.568 16.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.334 -6.330 16.951 1.00 0.00 H new ATOM 844 N LYS A 58 0.992 -5.652 10.187 1.00 0.00 N ATOM 845 CA LYS A 58 2.018 -4.727 9.719 1.00 0.00 C ATOM 846 C LYS A 58 1.738 -4.284 8.287 1.00 0.00 C ATOM 847 O LYS A 58 1.558 -3.095 8.019 1.00 0.00 O ATOM 848 CB LYS A 58 3.399 -5.381 9.802 1.00 0.00 C ATOM 849 CG LYS A 58 4.085 -5.186 11.142 1.00 0.00 C ATOM 850 CD LYS A 58 3.353 -5.917 12.255 1.00 0.00 C ATOM 851 CE LYS A 58 3.506 -5.199 13.588 1.00 0.00 C ATOM 852 NZ LYS A 58 4.753 -5.603 14.295 1.00 0.00 N ATOM 0 H LYS A 58 1.345 -6.568 10.463 1.00 0.00 H new ATOM 0 HA LYS A 58 2.000 -3.847 10.362 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.298 -6.449 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.033 -4.972 9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.112 -5.547 11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.134 -4.122 11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.295 -5.999 12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.740 -6.932 12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.516 -4.122 13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.644 -5.416 14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.821 -5.092 15.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.733 -6.627 14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.577 -5.372 13.704 1.00 0.00 H new ATOM 866 N ILE A 59 1.702 -5.246 7.371 1.00 0.00 N ATOM 867 CA ILE A 59 1.442 -4.953 5.967 1.00 0.00 C ATOM 868 C ILE A 59 0.132 -4.191 5.798 1.00 0.00 C ATOM 869 O ILE A 59 0.120 -3.051 5.334 1.00 0.00 O ATOM 870 CB ILE A 59 1.385 -6.241 5.125 1.00 0.00 C ATOM 871 CG1 ILE A 59 2.684 -7.036 5.280 1.00 0.00 C ATOM 872 CG2 ILE A 59 1.135 -5.907 3.662 1.00 0.00 C ATOM 873 CD1 ILE A 59 2.658 -8.378 4.583 1.00 0.00 C ATOM 0 H ILE A 59 1.849 -6.234 7.576 1.00 0.00 H new ATOM 0 HA ILE A 59 2.268 -4.334 5.615 1.00 0.00 H new ATOM 0 HB ILE A 59 0.559 -6.855 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.511 -6.446 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.882 -7.190 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.097 -6.828 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.187 -5.378 3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.942 -5.275 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.611 -8.886 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.853 -8.986 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.492 -8.231 3.516 1.00 0.00 H new ATOM 885 N LEU A 60 -0.970 -4.828 6.179 1.00 0.00 N ATOM 886 CA LEU A 60 -2.287 -4.209 6.072 1.00 0.00 C ATOM 887 C LEU A 60 -2.318 -2.866 6.794 1.00 0.00 C ATOM 888 O LEU A 60 -2.578 -1.828 6.187 1.00 0.00 O ATOM 889 CB LEU A 60 -3.358 -5.137 6.649 1.00 0.00 C ATOM 890 CG LEU A 60 -3.799 -6.271 5.724 1.00 0.00 C ATOM 891 CD1 LEU A 60 -4.577 -7.322 6.499 1.00 0.00 C ATOM 892 CD2 LEU A 60 -4.636 -5.726 4.576 1.00 0.00 C ATOM 0 H LEU A 60 -0.978 -5.772 6.565 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.495 -4.037 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.981 -5.570 7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.232 -4.540 6.909 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.908 -6.742 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.882 -8.121 5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.946 -7.734 7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.461 -6.866 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.942 -6.547 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.521 -5.230 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.046 -5.011 4.003 1.00 0.00 H new ATOM 904 N GLY A 61 -2.050 -2.894 8.096 1.00 0.00 N ATOM 905 CA GLY A 61 -2.052 -1.674 8.881 1.00 0.00 C ATOM 906 C GLY A 61 -1.242 -0.567 8.234 1.00 0.00 C ATOM 907 O GLY A 61 -1.601 0.607 8.322 1.00 0.00 O ATOM 0 H GLY A 61 -1.831 -3.741 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.079 -1.336 9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.650 -1.883 9.872 1.00 0.00 H new ATOM 911 N SER A 62 -0.145 -0.942 7.584 1.00 0.00 N ATOM 912 CA SER A 62 0.721 0.028 6.925 1.00 0.00 C ATOM 913 C SER A 62 0.039 0.618 5.694 1.00 0.00 C ATOM 914 O SER A 62 0.160 1.812 5.416 1.00 0.00 O ATOM 915 CB SER A 62 2.044 -0.628 6.523 1.00 0.00 C ATOM 916 OG SER A 62 3.002 0.346 6.145 1.00 0.00 O ATOM 0 H SER A 62 0.165 -1.910 7.500 1.00 0.00 H new ATOM 0 HA SER A 62 0.922 0.835 7.629 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.429 -1.217 7.355 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.875 -1.317 5.695 1.00 0.00 H new ATOM 0 HG SER A 62 3.514 0.624 6.933 1.00 0.00 H new ATOM 922 N ILE A 63 -0.679 -0.226 4.961 1.00 0.00 N ATOM 923 CA ILE A 63 -1.382 0.211 3.761 1.00 0.00 C ATOM 924 C ILE A 63 -2.592 1.068 4.115 1.00 0.00 C ATOM 925 O ILE A 63 -2.700 2.215 3.682 1.00 0.00 O ATOM 926 CB ILE A 63 -1.845 -0.988 2.913 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.639 -1.795 2.429 1.00 0.00 C ATOM 928 CG2 ILE A 63 -2.678 -0.510 1.732 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.005 -3.154 1.874 1.00 0.00 C ATOM 0 H ILE A 63 -0.789 -1.217 5.177 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.677 0.805 3.180 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.465 -1.635 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.116 -1.226 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.057 -1.925 3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.998 -1.368 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.554 0.026 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.079 0.155 1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.101 -3.670 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.501 -3.741 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.677 -3.031 1.025 1.00 0.00 H new ATOM 941 N GLN A 64 -3.499 0.503 4.906 1.00 0.00 N ATOM 942 CA GLN A 64 -4.702 1.217 5.319 1.00 0.00 C ATOM 943 C GLN A 64 -4.388 2.676 5.634 1.00 0.00 C ATOM 944 O GLN A 64 -5.225 3.558 5.440 1.00 0.00 O ATOM 945 CB GLN A 64 -5.327 0.542 6.541 1.00 0.00 C ATOM 946 CG GLN A 64 -4.811 1.083 7.865 1.00 0.00 C ATOM 947 CD GLN A 64 -5.533 0.490 9.058 1.00 0.00 C ATOM 948 OE1 GLN A 64 -6.169 -0.560 8.955 1.00 0.00 O ATOM 949 NE2 GLN A 64 -5.438 1.160 10.201 1.00 0.00 N ATOM 0 H GLN A 64 -3.424 -0.446 5.273 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.413 1.188 4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.409 0.670 6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.131 -0.529 6.494 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.745 0.872 7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.924 2.167 7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.901 2.026 10.241 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.902 0.808 11.038 1.00 0.00 H new ATOM 958 N THR A 65 -3.177 2.924 6.122 1.00 0.00 N ATOM 959 CA THR A 65 -2.753 4.275 6.465 1.00 0.00 C ATOM 960 C THR A 65 -2.083 4.959 5.279 1.00 0.00 C ATOM 961 O THR A 65 -2.308 6.142 5.025 1.00 0.00 O ATOM 962 CB THR A 65 -1.779 4.272 7.659 1.00 0.00 C ATOM 963 OG1 THR A 65 -1.367 5.610 7.958 1.00 0.00 O ATOM 964 CG2 THR A 65 -0.559 3.415 7.360 1.00 0.00 C ATOM 0 H THR A 65 -2.472 2.206 6.289 1.00 0.00 H new ATOM 0 HA THR A 65 -3.651 4.828 6.740 1.00 0.00 H new ATOM 0 HB THR A 65 -2.297 3.851 8.521 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.749 5.600 8.719 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.114 3.428 8.217 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.874 2.390 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.041 3.811 6.486 1.00 0.00 H new ATOM 972 N MET A 66 -1.258 4.208 4.557 1.00 0.00 N ATOM 973 CA MET A 66 -0.557 4.743 3.396 1.00 0.00 C ATOM 974 C MET A 66 -1.544 5.284 2.366 1.00 0.00 C ATOM 975 O MET A 66 -1.252 6.251 1.662 1.00 0.00 O ATOM 976 CB MET A 66 0.320 3.662 2.760 1.00 0.00 C ATOM 977 CG MET A 66 1.698 3.549 3.390 1.00 0.00 C ATOM 978 SD MET A 66 2.957 3.010 2.217 1.00 0.00 S ATOM 979 CE MET A 66 2.211 1.509 1.586 1.00 0.00 C ATOM 0 H MET A 66 -1.059 3.228 4.755 1.00 0.00 H new ATOM 0 HA MET A 66 0.077 5.564 3.732 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.187 2.701 2.840 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.432 3.875 1.697 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.984 4.516 3.805 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.656 2.845 4.221 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.945 0.956 1.000 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.873 0.892 2.419 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.360 1.763 0.955 1.00 0.00 H new ATOM 989 N ARG A 67 -2.711 4.654 2.284 1.00 0.00 N ATOM 990 CA ARG A 67 -3.740 5.072 1.339 1.00 0.00 C ATOM 991 C ARG A 67 -4.717 6.043 1.994 1.00 0.00 C ATOM 992 O ARG A 67 -5.189 6.987 1.361 1.00 0.00 O ATOM 993 CB ARG A 67 -4.495 3.855 0.803 1.00 0.00 C ATOM 994 CG ARG A 67 -5.035 2.945 1.894 1.00 0.00 C ATOM 995 CD ARG A 67 -6.282 2.205 1.436 1.00 0.00 C ATOM 996 NE ARG A 67 -7.484 3.024 1.568 1.00 0.00 N ATOM 997 CZ ARG A 67 -8.190 3.118 2.690 1.00 0.00 C ATOM 998 NH1 ARG A 67 -7.815 2.447 3.770 1.00 0.00 N ATOM 999 NH2 ARG A 67 -9.272 3.884 2.732 1.00 0.00 N ATOM 0 H ARG A 67 -2.968 3.852 2.860 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.250 5.581 0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.324 4.196 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.830 3.280 0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.269 2.225 2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.266 3.536 2.781 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.162 1.902 0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.398 1.293 2.022 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.799 3.553 0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.983 1.857 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.358 2.520 4.630 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.563 4.402 1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.813 3.955 3.594 1.00 0.00 H new ATOM 1013 N ALA A 68 -5.018 5.804 3.266 1.00 0.00 N ATOM 1014 CA ALA A 68 -5.938 6.658 4.008 1.00 0.00 C ATOM 1015 C ALA A 68 -5.520 8.121 3.921 1.00 0.00 C ATOM 1016 O ALA A 68 -6.348 9.021 4.054 1.00 0.00 O ATOM 1017 CB ALA A 68 -6.014 6.214 5.461 1.00 0.00 C ATOM 0 H ALA A 68 -4.638 5.026 3.805 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.926 6.563 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.704 6.860 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.368 5.184 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.025 6.279 5.914 1.00 0.00 H new ATOM 1023 N GLN A 69 -4.230 8.351 3.697 1.00 0.00 N ATOM 1024 CA GLN A 69 -3.703 9.707 3.594 1.00 0.00 C ATOM 1025 C GLN A 69 -3.967 10.290 2.210 1.00 0.00 C ATOM 1026 O GLN A 69 -4.138 11.499 2.057 1.00 0.00 O ATOM 1027 CB GLN A 69 -2.201 9.716 3.887 1.00 0.00 C ATOM 1028 CG GLN A 69 -1.378 8.942 2.870 1.00 0.00 C ATOM 1029 CD GLN A 69 0.063 9.409 2.808 1.00 0.00 C ATOM 1030 OE1 GLN A 69 0.708 9.607 3.838 1.00 0.00 O ATOM 1031 NE2 GLN A 69 0.576 9.587 1.597 1.00 0.00 N ATOM 0 H GLN A 69 -3.531 7.617 3.583 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.214 10.326 4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.851 10.748 3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.030 9.294 4.877 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.402 7.881 3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.833 9.047 1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.005 9.411 0.770 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.541 9.900 1.493 1.00 0.00 H new ATOM 1040 N LEU A 70 -3.998 9.422 1.204 1.00 0.00 N ATOM 1041 CA LEU A 70 -4.241 9.851 -0.169 1.00 0.00 C ATOM 1042 C LEU A 70 -5.255 10.988 -0.212 1.00 0.00 C ATOM 1043 O LEU A 70 -5.051 11.993 -0.895 1.00 0.00 O ATOM 1044 CB LEU A 70 -4.739 8.674 -1.011 1.00 0.00 C ATOM 1045 CG LEU A 70 -3.672 7.641 -1.374 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -4.319 6.354 -1.862 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -2.728 8.198 -2.429 1.00 0.00 C ATOM 0 H LEU A 70 -3.858 8.418 1.313 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.300 10.213 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.540 8.172 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.174 9.064 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.093 7.416 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.544 5.631 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.954 5.945 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.924 6.563 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.975 7.449 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.294 8.452 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.238 9.092 -2.043 1.00 0.00 H new ATOM 1059 N THR A 71 -6.351 10.824 0.523 1.00 0.00 N ATOM 1060 CA THR A 71 -7.400 11.836 0.568 1.00 0.00 C ATOM 1061 C THR A 71 -8.074 11.868 1.934 1.00 0.00 C ATOM 1062 O THR A 71 -8.938 11.041 2.231 1.00 0.00 O ATOM 1063 CB THR A 71 -8.468 11.587 -0.514 1.00 0.00 C ATOM 1064 OG1 THR A 71 -9.058 10.295 -0.331 1.00 0.00 O ATOM 1065 CG2 THR A 71 -7.861 11.680 -1.905 1.00 0.00 C ATOM 0 H THR A 71 -6.535 10.000 1.095 1.00 0.00 H new ATOM 0 HA THR A 71 -6.921 12.797 0.380 1.00 0.00 H new ATOM 0 HB THR A 71 -9.236 12.354 -0.418 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.250 10.155 0.620 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.634 11.501 -2.652 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.438 12.674 -2.052 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.075 10.932 -2.010 1.00 0.00 H new ATOM 1073 N SER A 72 -7.676 12.827 2.764 1.00 0.00 N ATOM 1074 CA SER A 72 -8.240 12.964 4.101 1.00 0.00 C ATOM 1075 C SER A 72 -9.181 14.163 4.173 1.00 0.00 C ATOM 1076 O SER A 72 -9.146 15.048 3.318 1.00 0.00 O ATOM 1077 CB SER A 72 -7.124 13.115 5.136 1.00 0.00 C ATOM 1078 OG SER A 72 -6.652 11.850 5.566 1.00 0.00 O ATOM 0 H SER A 72 -6.965 13.521 2.534 1.00 0.00 H new ATOM 0 HA SER A 72 -8.810 12.062 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.301 13.687 4.707 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.492 13.680 5.993 1.00 0.00 H new ATOM 0 HG SER A 72 -6.692 11.215 4.820 1.00 0.00 H new ATOM 1084 N THR A 73 -10.024 14.185 5.201 1.00 0.00 N ATOM 1085 CA THR A 73 -10.976 15.273 5.386 1.00 0.00 C ATOM 1086 C THR A 73 -10.350 16.425 6.163 1.00 0.00 C ATOM 1087 O THR A 73 -9.426 16.224 6.950 1.00 0.00 O ATOM 1088 CB THR A 73 -12.239 14.795 6.128 1.00 0.00 C ATOM 1089 OG1 THR A 73 -11.884 14.273 7.413 1.00 0.00 O ATOM 1090 CG2 THR A 73 -12.966 13.727 5.325 1.00 0.00 C ATOM 0 H THR A 73 -10.067 13.461 5.918 1.00 0.00 H new ATOM 0 HA THR A 73 -11.257 15.619 4.391 1.00 0.00 H new ATOM 0 HB THR A 73 -12.905 15.649 6.254 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.692 13.973 7.879 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.854 13.405 5.868 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.260 14.136 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.305 12.874 5.172 1.00 0.00 H new ATOM 1098 N GLN A 74 -10.860 17.632 5.935 1.00 0.00 N ATOM 1099 CA GLN A 74 -10.349 18.816 6.615 1.00 0.00 C ATOM 1100 C GLN A 74 -8.889 19.066 6.251 1.00 0.00 C ATOM 1101 O GLN A 74 -8.348 18.433 5.345 1.00 0.00 O ATOM 1102 CB GLN A 74 -10.490 18.661 8.130 1.00 0.00 C ATOM 1103 CG GLN A 74 -11.916 18.399 8.585 1.00 0.00 C ATOM 1104 CD GLN A 74 -12.843 19.564 8.300 1.00 0.00 C ATOM 1105 OE1 GLN A 74 -13.695 19.493 7.414 1.00 0.00 O ATOM 1106 NE2 GLN A 74 -12.682 20.646 9.053 1.00 0.00 N ATOM 0 H GLN A 74 -11.625 17.815 5.286 1.00 0.00 H new ATOM 0 HA GLN A 74 -10.937 19.673 6.288 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.855 17.841 8.463 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.123 19.566 8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.295 17.508 8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.919 18.190 9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.963 20.662 9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -13.277 21.461 8.908 1.00 0.00 H new ATOM 1115 N GLY A 75 -8.256 19.993 6.964 1.00 0.00 N ATOM 1116 CA GLY A 75 -6.865 20.310 6.700 1.00 0.00 C ATOM 1117 C GLY A 75 -5.917 19.573 7.625 1.00 0.00 C ATOM 1118 O GLY A 75 -5.291 18.590 7.229 1.00 0.00 O ATOM 0 H GLY A 75 -8.682 20.530 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.628 20.058 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.713 21.384 6.809 1.00 0.00 H new ATOM 1122 N SER A 76 -5.809 20.049 8.862 1.00 0.00 N ATOM 1123 CA SER A 76 -4.926 19.432 9.844 1.00 0.00 C ATOM 1124 C SER A 76 -5.682 18.408 10.687 1.00 0.00 C ATOM 1125 O SER A 76 -5.238 18.029 11.769 1.00 0.00 O ATOM 1126 CB SER A 76 -4.311 20.500 10.750 1.00 0.00 C ATOM 1127 OG SER A 76 -3.066 20.070 11.273 1.00 0.00 O ATOM 0 H SER A 76 -6.322 20.860 9.207 1.00 0.00 H new ATOM 0 HA SER A 76 -4.129 18.918 9.307 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.173 21.423 10.187 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.995 20.725 11.569 1.00 0.00 H new ATOM 0 HG SER A 76 -3.177 19.198 11.706 1.00 0.00 H new ATOM 1133 N GLY A 77 -6.829 17.965 10.180 1.00 0.00 N ATOM 1134 CA GLY A 77 -7.629 16.990 10.898 1.00 0.00 C ATOM 1135 C GLY A 77 -6.881 15.696 11.146 1.00 0.00 C ATOM 1136 O GLY A 77 -5.652 15.644 11.093 1.00 0.00 O ATOM 0 H GLY A 77 -7.218 18.264 9.286 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.942 17.414 11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.535 16.779 10.330 1.00 0.00 H new ATOM 1140 N PRO A 78 -7.630 14.619 11.425 1.00 0.00 N ATOM 1141 CA PRO A 78 -7.051 13.298 11.689 1.00 0.00 C ATOM 1142 C PRO A 78 -6.085 12.860 10.595 1.00 0.00 C ATOM 1143 O PRO A 78 -6.492 12.284 9.586 1.00 0.00 O ATOM 1144 CB PRO A 78 -8.272 12.375 11.724 1.00 0.00 C ATOM 1145 CG PRO A 78 -9.406 13.262 12.104 1.00 0.00 C ATOM 1146 CD PRO A 78 -9.101 14.607 11.504 1.00 0.00 C ATOM 0 HA PRO A 78 -6.465 13.287 12.608 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.443 11.907 10.754 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.139 11.570 12.447 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.351 12.871 11.725 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.501 13.331 13.188 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.557 14.721 10.521 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.477 15.419 12.126 1.00 0.00 H new ATOM 1154 N SER A 79 -4.801 13.135 10.802 1.00 0.00 N ATOM 1155 CA SER A 79 -3.775 12.773 9.831 1.00 0.00 C ATOM 1156 C SER A 79 -2.896 11.645 10.365 1.00 0.00 C ATOM 1157 O SER A 79 -2.617 11.575 11.562 1.00 0.00 O ATOM 1158 CB SER A 79 -2.912 13.989 9.491 1.00 0.00 C ATOM 1159 OG SER A 79 -1.803 13.620 8.690 1.00 0.00 O ATOM 0 H SER A 79 -4.446 13.607 11.634 1.00 0.00 H new ATOM 0 HA SER A 79 -4.273 12.426 8.926 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.514 14.730 8.965 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.561 14.458 10.410 1.00 0.00 H new ATOM 0 HG SER A 79 -1.268 14.415 8.485 1.00 0.00 H new ATOM 1165 N SER A 80 -2.464 10.765 9.468 1.00 0.00 N ATOM 1166 CA SER A 80 -1.621 9.638 9.848 1.00 0.00 C ATOM 1167 C SER A 80 -0.169 9.887 9.450 1.00 0.00 C ATOM 1168 O SER A 80 0.127 10.184 8.294 1.00 0.00 O ATOM 1169 CB SER A 80 -2.127 8.351 9.193 1.00 0.00 C ATOM 1170 OG SER A 80 -3.510 8.165 9.437 1.00 0.00 O ATOM 0 H SER A 80 -2.684 10.811 8.473 1.00 0.00 H new ATOM 0 HA SER A 80 -1.670 9.529 10.931 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.946 8.390 8.119 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.568 7.499 9.579 1.00 0.00 H new ATOM 0 HG SER A 80 -3.810 7.337 9.007 1.00 0.00 H new ATOM 1176 N GLY A 81 0.733 9.765 10.419 1.00 0.00 N ATOM 1177 CA GLY A 81 2.143 9.980 10.152 1.00 0.00 C ATOM 1178 C GLY A 81 2.752 8.869 9.321 1.00 0.00 C ATOM 1179 O GLY A 81 2.054 7.949 8.895 1.00 0.00 O ATOM 0 H GLY A 81 0.512 9.521 11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.270 10.930 9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.681 10.059 11.097 1.00 0.00 H new TER 1183 GLY A 81