USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 824 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 80 THR OG1 : rot -41:sc= 0.147 USER MOD Set 1.2: A 100 MET CE :methyl 167:sc= 0 (180deg=-0.175) USER MOD Set 2.1: A 51 THR OG1 : rot -62:sc= 2.03 USER MOD Set 2.2: A 55 THR OG1 : rot -14:sc= 1.05 USER MOD Set 3.1: A 42 LYS NZ :NH3+ -178:sc=-0.00455 (180deg=-0.000762) USER MOD Set 3.2: A 44 LYS NZ :NH3+ 171:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 18:sc= 0.111 USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00106 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00431 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 163:sc= -0.909 USER MOD Single : A 17 THR OG1 : rot 34:sc= 0.0283 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -150:sc= -0.948 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.906 USER MOD Single : A 47 CYS SG : rot 180:sc= -0.16 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -0.297 F(o=-1.2,f=-0.3) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot -167:sc= 0.201 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 20:sc= 1.21 USER MOD Single : A 84 TYR OH : rot 0:sc= -0.228 USER MOD Single : A 94 ASN :FLIP amide:sc= -0.107 F(o=-1.6,f=-0.11) USER MOD Single : A 95 SER OG : rot -140:sc= -0.611 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.608 K(o=-0.61,f=-5.5!) USER MOD Single : A 117 CYS SG : rot 31:sc= 0.139 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.364 -26.293 -18.021 1.00 0.00 N ATOM 2 CA GLY A 1 -4.737 -25.709 -19.192 1.00 0.00 C ATOM 3 C GLY A 1 -4.982 -26.522 -20.448 1.00 0.00 C ATOM 4 O GLY A 1 -6.047 -26.428 -21.058 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.167 -25.700 -17.190 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.392 -26.350 -18.170 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.983 -27.248 -17.863 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.117 -24.698 -19.338 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.664 -25.624 -19.021 1.00 0.00 H new ATOM 8 N SER A 2 -3.992 -27.320 -20.836 1.00 0.00 N ATOM 9 CA SER A 2 -4.103 -28.148 -22.031 1.00 0.00 C ATOM 10 C SER A 2 -3.650 -29.576 -21.746 1.00 0.00 C ATOM 11 O SER A 2 -4.347 -30.537 -22.072 1.00 0.00 O ATOM 12 CB SER A 2 -3.270 -27.554 -23.169 1.00 0.00 C ATOM 13 OG SER A 2 -3.733 -28.005 -24.430 1.00 0.00 O ATOM 0 H SER A 2 -3.105 -27.410 -20.341 1.00 0.00 H new ATOM 0 HA SER A 2 -5.151 -28.170 -22.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.318 -26.466 -23.129 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.224 -27.832 -23.042 1.00 0.00 H new ATOM 0 HG SER A 2 -3.185 -27.610 -25.140 1.00 0.00 H new ATOM 19 N SER A 3 -2.476 -29.707 -21.135 1.00 0.00 N ATOM 20 CA SER A 3 -1.926 -31.017 -20.809 1.00 0.00 C ATOM 21 C SER A 3 -2.914 -31.829 -19.975 1.00 0.00 C ATOM 22 O SER A 3 -3.337 -32.913 -20.374 1.00 0.00 O ATOM 23 CB SER A 3 -0.606 -30.867 -20.052 1.00 0.00 C ATOM 24 OG SER A 3 -0.199 -32.099 -19.484 1.00 0.00 O ATOM 0 H SER A 3 -1.888 -28.922 -20.856 1.00 0.00 H new ATOM 0 HA SER A 3 -1.742 -31.548 -21.743 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.166 -30.503 -20.730 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.717 -30.120 -19.266 1.00 0.00 H new ATOM 0 HG SER A 3 0.648 -31.975 -19.007 1.00 0.00 H new ATOM 30 N GLY A 4 -3.276 -31.294 -18.813 1.00 0.00 N ATOM 31 CA GLY A 4 -4.210 -31.980 -17.940 1.00 0.00 C ATOM 32 C GLY A 4 -5.068 -31.020 -17.139 1.00 0.00 C ATOM 33 O GLY A 4 -5.603 -30.054 -17.682 1.00 0.00 O ATOM 0 H GLY A 4 -2.939 -30.398 -18.461 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.854 -32.626 -18.537 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.657 -32.625 -17.257 1.00 0.00 H new ATOM 37 N SER A 5 -5.201 -31.287 -15.844 1.00 0.00 N ATOM 38 CA SER A 5 -6.004 -30.443 -14.968 1.00 0.00 C ATOM 39 C SER A 5 -5.137 -29.796 -13.892 1.00 0.00 C ATOM 40 O SER A 5 -4.302 -30.456 -13.272 1.00 0.00 O ATOM 41 CB SER A 5 -7.119 -31.263 -14.315 1.00 0.00 C ATOM 42 OG SER A 5 -8.269 -31.309 -15.142 1.00 0.00 O ATOM 0 H SER A 5 -4.763 -32.082 -15.378 1.00 0.00 H new ATOM 0 HA SER A 5 -6.450 -29.654 -15.574 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.765 -32.276 -14.122 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.378 -30.827 -13.350 1.00 0.00 H new ATOM 0 HG SER A 5 -8.966 -31.840 -14.703 1.00 0.00 H new ATOM 48 N SER A 6 -5.340 -28.500 -13.676 1.00 0.00 N ATOM 49 CA SER A 6 -4.576 -27.762 -12.679 1.00 0.00 C ATOM 50 C SER A 6 -5.434 -26.682 -12.025 1.00 0.00 C ATOM 51 O SER A 6 -6.545 -26.403 -12.472 1.00 0.00 O ATOM 52 CB SER A 6 -3.340 -27.127 -13.320 1.00 0.00 C ATOM 53 OG SER A 6 -2.292 -28.072 -13.451 1.00 0.00 O ATOM 0 H SER A 6 -6.028 -27.940 -14.179 1.00 0.00 H new ATOM 0 HA SER A 6 -4.258 -28.465 -11.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.599 -26.728 -14.301 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.003 -26.287 -12.713 1.00 0.00 H new ATOM 0 HG SER A 6 -2.657 -28.978 -13.376 1.00 0.00 H new ATOM 59 N GLY A 7 -4.907 -26.078 -10.964 1.00 0.00 N ATOM 60 CA GLY A 7 -5.637 -25.037 -10.265 1.00 0.00 C ATOM 61 C GLY A 7 -5.042 -24.724 -8.907 1.00 0.00 C ATOM 62 O GLY A 7 -4.653 -25.627 -8.167 1.00 0.00 O ATOM 0 H GLY A 7 -3.988 -26.291 -10.576 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.644 -24.132 -10.872 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.675 -25.346 -10.141 1.00 0.00 H new ATOM 66 N THR A 8 -4.970 -23.438 -8.577 1.00 0.00 N ATOM 67 CA THR A 8 -4.415 -23.006 -7.300 1.00 0.00 C ATOM 68 C THR A 8 -5.511 -22.509 -6.364 1.00 0.00 C ATOM 69 O THR A 8 -5.498 -22.798 -5.169 1.00 0.00 O ATOM 70 CB THR A 8 -3.372 -21.889 -7.490 1.00 0.00 C ATOM 71 OG1 THR A 8 -3.973 -20.761 -8.136 1.00 0.00 O ATOM 72 CG2 THR A 8 -2.193 -22.384 -8.315 1.00 0.00 C ATOM 0 H THR A 8 -5.289 -22.677 -9.177 1.00 0.00 H new ATOM 0 HA THR A 8 -3.929 -23.875 -6.856 1.00 0.00 H new ATOM 0 HB THR A 8 -3.008 -21.592 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.303 -20.055 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.470 -21.578 -8.436 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.719 -23.223 -7.806 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.545 -22.706 -9.295 1.00 0.00 H new ATOM 80 N GLY A 9 -6.459 -21.759 -6.917 1.00 0.00 N ATOM 81 CA GLY A 9 -7.550 -21.235 -6.117 1.00 0.00 C ATOM 82 C GLY A 9 -8.374 -20.204 -6.864 1.00 0.00 C ATOM 83 O GLY A 9 -8.486 -20.259 -8.089 1.00 0.00 O ATOM 0 H GLY A 9 -6.491 -21.505 -7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.196 -22.056 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.148 -20.786 -5.209 1.00 0.00 H new ATOM 87 N ASP A 10 -8.953 -19.264 -6.126 1.00 0.00 N ATOM 88 CA ASP A 10 -9.773 -18.217 -6.727 1.00 0.00 C ATOM 89 C ASP A 10 -9.264 -16.834 -6.329 1.00 0.00 C ATOM 90 O ASP A 10 -8.764 -16.641 -5.221 1.00 0.00 O ATOM 91 CB ASP A 10 -11.234 -18.378 -6.304 1.00 0.00 C ATOM 92 CG ASP A 10 -11.834 -19.686 -6.781 1.00 0.00 C ATOM 93 OD1 ASP A 10 -11.165 -20.732 -6.643 1.00 0.00 O ATOM 94 OD2 ASP A 10 -12.973 -19.663 -7.292 1.00 0.00 O ATOM 0 H ASP A 10 -8.870 -19.205 -5.111 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.705 -18.312 -7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.303 -18.325 -5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.818 -17.548 -6.701 1.00 0.00 H new ATOM 99 N ALA A 11 -9.395 -15.878 -7.241 1.00 0.00 N ATOM 100 CA ALA A 11 -8.949 -14.513 -6.987 1.00 0.00 C ATOM 101 C ALA A 11 -10.136 -13.583 -6.752 1.00 0.00 C ATOM 102 O ALA A 11 -10.196 -12.881 -5.744 1.00 0.00 O ATOM 103 CB ALA A 11 -8.102 -14.009 -8.145 1.00 0.00 C ATOM 0 H ALA A 11 -9.806 -16.023 -8.163 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.340 -14.519 -6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.777 -12.989 -7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.229 -14.651 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.692 -14.025 -9.061 1.00 0.00 H new ATOM 109 N SER A 12 -11.078 -13.585 -7.690 1.00 0.00 N ATOM 110 CA SER A 12 -12.260 -12.738 -7.587 1.00 0.00 C ATOM 111 C SER A 12 -12.896 -12.858 -6.207 1.00 0.00 C ATOM 112 O SER A 12 -13.490 -11.907 -5.699 1.00 0.00 O ATOM 113 CB SER A 12 -13.279 -13.116 -8.665 1.00 0.00 C ATOM 114 OG SER A 12 -12.668 -13.186 -9.942 1.00 0.00 O ATOM 0 H SER A 12 -11.045 -14.164 -8.529 1.00 0.00 H new ATOM 0 HA SER A 12 -11.950 -11.704 -7.736 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.731 -14.077 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.084 -12.381 -8.683 1.00 0.00 H new ATOM 0 HG SER A 12 -13.339 -13.431 -10.613 1.00 0.00 H new ATOM 120 N LYS A 13 -12.767 -14.034 -5.602 1.00 0.00 N ATOM 121 CA LYS A 13 -13.326 -14.281 -4.278 1.00 0.00 C ATOM 122 C LYS A 13 -12.644 -13.410 -3.229 1.00 0.00 C ATOM 123 O LYS A 13 -13.307 -12.804 -2.385 1.00 0.00 O ATOM 124 CB LYS A 13 -13.176 -15.758 -3.907 1.00 0.00 C ATOM 125 CG LYS A 13 -13.886 -16.701 -4.864 1.00 0.00 C ATOM 126 CD LYS A 13 -15.381 -16.747 -4.596 1.00 0.00 C ATOM 127 CE LYS A 13 -16.137 -17.372 -5.758 1.00 0.00 C ATOM 128 NZ LYS A 13 -17.593 -17.494 -5.471 1.00 0.00 N ATOM 0 H LYS A 13 -12.279 -14.832 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.385 -14.025 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.116 -16.011 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.566 -15.913 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.709 -16.380 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.467 -17.703 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.571 -17.318 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.751 -15.737 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.993 -16.766 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.725 -18.358 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.073 -17.924 -6.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.733 -18.093 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.992 -16.550 -5.293 1.00 0.00 H new ATOM 142 N CYS A 14 -11.319 -13.352 -3.286 1.00 0.00 N ATOM 143 CA CYS A 14 -10.547 -12.553 -2.340 1.00 0.00 C ATOM 144 C CYS A 14 -11.081 -11.125 -2.271 1.00 0.00 C ATOM 145 O CYS A 14 -11.385 -10.515 -3.297 1.00 0.00 O ATOM 146 CB CYS A 14 -9.070 -12.540 -2.736 1.00 0.00 C ATOM 147 SG CYS A 14 -8.169 -14.037 -2.270 1.00 0.00 S ATOM 0 H CYS A 14 -10.756 -13.848 -3.977 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.646 -13.007 -1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.995 -12.405 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.588 -11.679 -2.272 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.056 -14.100 -2.939 1.00 0.00 H new ATOM 153 N LEU A 15 -11.192 -10.598 -1.057 1.00 0.00 N ATOM 154 CA LEU A 15 -11.690 -9.243 -0.853 1.00 0.00 C ATOM 155 C LEU A 15 -10.650 -8.381 -0.145 1.00 0.00 C ATOM 156 O LEU A 15 -9.833 -8.885 0.625 1.00 0.00 O ATOM 157 CB LEU A 15 -12.985 -9.271 -0.041 1.00 0.00 C ATOM 158 CG LEU A 15 -14.150 -10.045 -0.660 1.00 0.00 C ATOM 159 CD1 LEU A 15 -15.407 -9.881 0.180 1.00 0.00 C ATOM 160 CD2 LEU A 15 -14.396 -9.585 -2.089 1.00 0.00 C ATOM 0 H LEU A 15 -10.944 -11.089 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 15 -11.892 -8.806 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.768 -9.701 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.307 -8.243 0.128 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.888 -11.103 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.225 -10.439 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.225 -10.261 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -15.673 -8.825 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.228 -10.146 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -14.636 -8.522 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.500 -9.757 -2.686 1.00 0.00 H new ATOM 172 N ALA A 16 -10.688 -7.080 -0.409 1.00 0.00 N ATOM 173 CA ALA A 16 -9.752 -6.147 0.207 1.00 0.00 C ATOM 174 C ALA A 16 -10.486 -5.106 1.046 1.00 0.00 C ATOM 175 O ALA A 16 -11.183 -4.242 0.512 1.00 0.00 O ATOM 176 CB ALA A 16 -8.906 -5.468 -0.859 1.00 0.00 C ATOM 0 H ALA A 16 -11.357 -6.647 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.097 -6.712 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.212 -4.774 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.345 -6.221 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.554 -4.921 -1.544 1.00 0.00 H new ATOM 182 N THR A 17 -10.325 -5.193 2.363 1.00 0.00 N ATOM 183 CA THR A 17 -10.973 -4.260 3.275 1.00 0.00 C ATOM 184 C THR A 17 -9.950 -3.549 4.154 1.00 0.00 C ATOM 185 O THR A 17 -9.096 -4.187 4.768 1.00 0.00 O ATOM 186 CB THR A 17 -11.998 -4.975 4.176 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.413 -6.153 4.743 1.00 0.00 O ATOM 188 CG2 THR A 17 -13.243 -5.350 3.386 1.00 0.00 C ATOM 0 H THR A 17 -9.751 -5.901 2.821 1.00 0.00 H new ATOM 0 HA THR A 17 -11.492 -3.525 2.659 1.00 0.00 H new ATOM 0 HB THR A 17 -12.286 -4.292 4.975 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.461 -5.995 4.916 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.953 -5.854 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.701 -4.448 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.968 -6.017 2.569 1.00 0.00 H new ATOM 196 N GLY A 18 -10.043 -2.224 4.210 1.00 0.00 N ATOM 197 CA GLY A 18 -9.119 -1.449 5.017 1.00 0.00 C ATOM 198 C GLY A 18 -9.106 0.018 4.636 1.00 0.00 C ATOM 199 O GLY A 18 -9.479 0.396 3.525 1.00 0.00 O ATOM 0 H GLY A 18 -10.742 -1.674 3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.390 -1.546 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.115 -1.858 4.908 1.00 0.00 H new ATOM 203 N PRO A 19 -8.671 0.873 5.574 1.00 0.00 N ATOM 204 CA PRO A 19 -8.602 2.320 5.354 1.00 0.00 C ATOM 205 C PRO A 19 -7.513 2.705 4.358 1.00 0.00 C ATOM 206 O PRO A 19 -7.577 3.762 3.730 1.00 0.00 O ATOM 207 CB PRO A 19 -8.276 2.875 6.743 1.00 0.00 C ATOM 208 CG PRO A 19 -7.590 1.756 7.446 1.00 0.00 C ATOM 209 CD PRO A 19 -8.212 0.492 6.919 1.00 0.00 C ATOM 0 HA PRO A 19 -9.526 2.711 4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.635 3.754 6.678 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.180 3.179 7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.517 1.773 7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.721 1.835 8.525 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.491 -0.325 6.881 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.039 0.159 7.546 1.00 0.00 H new ATOM 217 N GLY A 20 -6.513 1.839 4.218 1.00 0.00 N ATOM 218 CA GLY A 20 -5.425 2.107 3.297 1.00 0.00 C ATOM 219 C GLY A 20 -5.854 2.005 1.846 1.00 0.00 C ATOM 220 O GLY A 20 -5.273 2.650 0.973 1.00 0.00 O ATOM 0 H GLY A 20 -6.438 0.958 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.030 3.105 3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.614 1.403 3.483 1.00 0.00 H new ATOM 224 N ILE A 21 -6.874 1.193 1.589 1.00 0.00 N ATOM 225 CA ILE A 21 -7.380 1.009 0.235 1.00 0.00 C ATOM 226 C ILE A 21 -8.551 1.943 -0.047 1.00 0.00 C ATOM 227 O ILE A 21 -9.218 1.828 -1.075 1.00 0.00 O ATOM 228 CB ILE A 21 -7.827 -0.445 -0.007 1.00 0.00 C ATOM 229 CG1 ILE A 21 -8.965 -0.816 0.947 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.653 -1.396 0.168 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.701 -2.077 0.546 1.00 0.00 C ATOM 0 H ILE A 21 -7.366 0.652 2.301 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.559 1.245 -0.442 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.191 -0.532 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.560 -0.945 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.674 0.010 0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.985 -2.420 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.869 -1.142 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.262 -1.309 1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.494 -2.280 1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.136 -1.945 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.004 -2.915 0.528 1.00 0.00 H new ATOM 243 N ALA A 22 -8.797 2.869 0.874 1.00 0.00 N ATOM 244 CA ALA A 22 -9.886 3.826 0.724 1.00 0.00 C ATOM 245 C ALA A 22 -9.697 4.682 -0.524 1.00 0.00 C ATOM 246 O ALA A 22 -8.579 5.082 -0.849 1.00 0.00 O ATOM 247 CB ALA A 22 -9.989 4.706 1.961 1.00 0.00 C ATOM 0 H ALA A 22 -8.256 2.977 1.732 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.815 3.267 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.806 5.416 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.180 4.084 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.054 5.249 2.100 1.00 0.00 H new ATOM 253 N SER A 23 -10.796 4.958 -1.219 1.00 0.00 N ATOM 254 CA SER A 23 -10.750 5.763 -2.433 1.00 0.00 C ATOM 255 C SER A 23 -9.769 6.921 -2.282 1.00 0.00 C ATOM 256 O SER A 23 -9.039 7.258 -3.213 1.00 0.00 O ATOM 257 CB SER A 23 -12.143 6.299 -2.767 1.00 0.00 C ATOM 258 OG SER A 23 -12.876 5.368 -3.543 1.00 0.00 O ATOM 0 H SER A 23 -11.729 4.636 -0.962 1.00 0.00 H new ATOM 0 HA SER A 23 -10.408 5.126 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.684 6.514 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.053 7.239 -3.311 1.00 0.00 H new ATOM 0 HG SER A 23 -13.763 5.734 -3.741 1.00 0.00 H new ATOM 264 N THR A 24 -9.757 7.526 -1.098 1.00 0.00 N ATOM 265 CA THR A 24 -8.867 8.647 -0.822 1.00 0.00 C ATOM 266 C THR A 24 -8.257 8.535 0.569 1.00 0.00 C ATOM 267 O THR A 24 -8.955 8.263 1.546 1.00 0.00 O ATOM 268 CB THR A 24 -9.607 9.994 -0.938 1.00 0.00 C ATOM 269 OG1 THR A 24 -10.743 10.006 -0.066 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.059 10.242 -2.369 1.00 0.00 C ATOM 0 H THR A 24 -10.354 7.258 -0.315 1.00 0.00 H new ATOM 0 HA THR A 24 -8.073 8.611 -1.568 1.00 0.00 H new ATOM 0 HB THR A 24 -8.918 10.787 -0.648 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.207 10.866 -0.144 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.579 11.198 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.190 10.262 -3.027 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.733 9.444 -2.681 1.00 0.00 H new ATOM 278 N VAL A 25 -6.947 8.747 0.655 1.00 0.00 N ATOM 279 CA VAL A 25 -6.242 8.671 1.929 1.00 0.00 C ATOM 280 C VAL A 25 -5.410 9.925 2.172 1.00 0.00 C ATOM 281 O VAL A 25 -5.230 10.748 1.275 1.00 0.00 O ATOM 282 CB VAL A 25 -5.320 7.438 1.988 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.139 6.157 1.940 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.307 7.476 0.853 1.00 0.00 C ATOM 0 H VAL A 25 -6.353 8.973 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.001 8.585 2.706 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.775 7.458 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.471 5.296 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.821 6.129 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.712 6.126 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.664 6.598 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.831 7.481 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.699 8.377 0.938 1.00 0.00 H new ATOM 294 N LYS A 26 -4.904 10.066 3.393 1.00 0.00 N ATOM 295 CA LYS A 26 -4.089 11.218 3.756 1.00 0.00 C ATOM 296 C LYS A 26 -2.604 10.869 3.719 1.00 0.00 C ATOM 297 O LYS A 26 -2.199 9.789 4.152 1.00 0.00 O ATOM 298 CB LYS A 26 -4.471 11.720 5.150 1.00 0.00 C ATOM 299 CG LYS A 26 -3.642 12.903 5.620 1.00 0.00 C ATOM 300 CD LYS A 26 -3.917 13.235 7.077 1.00 0.00 C ATOM 301 CE LYS A 26 -3.593 14.687 7.390 1.00 0.00 C ATOM 302 NZ LYS A 26 -2.130 14.955 7.327 1.00 0.00 N ATOM 0 H LYS A 26 -5.045 9.395 4.148 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.276 12.007 3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.524 12.003 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.361 10.904 5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.583 12.680 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.863 13.772 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.965 13.038 7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.324 12.583 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.112 15.335 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.965 14.936 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.951 15.956 7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.637 14.355 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.779 14.742 6.372 1.00 0.00 H new ATOM 316 N THR A 27 -1.797 11.789 3.202 1.00 0.00 N ATOM 317 CA THR A 27 -0.358 11.578 3.109 1.00 0.00 C ATOM 318 C THR A 27 0.313 11.756 4.467 1.00 0.00 C ATOM 319 O THR A 27 -0.270 12.327 5.388 1.00 0.00 O ATOM 320 CB THR A 27 0.288 12.546 2.100 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.027 13.899 2.447 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.194 12.256 0.687 1.00 0.00 C ATOM 0 H THR A 27 -2.116 12.688 2.841 1.00 0.00 H new ATOM 0 HA THR A 27 -0.211 10.554 2.765 1.00 0.00 H new ATOM 0 HB THR A 27 1.368 12.404 2.136 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.389 14.508 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.276 12.952 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.073 11.235 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.277 12.373 0.641 1.00 0.00 H new ATOM 330 N GLY A 28 1.541 11.263 4.584 1.00 0.00 N ATOM 331 CA GLY A 28 2.271 11.377 5.834 1.00 0.00 C ATOM 332 C GLY A 28 1.866 10.319 6.840 1.00 0.00 C ATOM 333 O GLY A 28 2.707 9.795 7.570 1.00 0.00 O ATOM 0 H GLY A 28 2.044 10.786 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.340 11.295 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.101 12.365 6.262 1.00 0.00 H new ATOM 337 N GLU A 29 0.575 10.006 6.880 1.00 0.00 N ATOM 338 CA GLU A 29 0.062 9.005 7.809 1.00 0.00 C ATOM 339 C GLU A 29 0.329 7.594 7.290 1.00 0.00 C ATOM 340 O GLU A 29 0.540 7.392 6.095 1.00 0.00 O ATOM 341 CB GLU A 29 -1.440 9.203 8.027 1.00 0.00 C ATOM 342 CG GLU A 29 -1.770 10.307 9.017 1.00 0.00 C ATOM 343 CD GLU A 29 -3.107 10.095 9.703 1.00 0.00 C ATOM 344 OE1 GLU A 29 -3.384 8.952 10.122 1.00 0.00 O ATOM 345 OE2 GLU A 29 -3.875 11.072 9.819 1.00 0.00 O ATOM 0 H GLU A 29 -0.134 10.430 6.281 1.00 0.00 H new ATOM 0 HA GLU A 29 0.580 9.129 8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.911 9.431 7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.874 8.268 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.984 10.361 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.780 11.265 8.497 1.00 0.00 H new ATOM 352 N GLU A 30 0.320 6.625 8.200 1.00 0.00 N ATOM 353 CA GLU A 30 0.563 5.234 7.835 1.00 0.00 C ATOM 354 C GLU A 30 -0.728 4.424 7.889 1.00 0.00 C ATOM 355 O GLU A 30 -1.318 4.246 8.954 1.00 0.00 O ATOM 356 CB GLU A 30 1.607 4.615 8.766 1.00 0.00 C ATOM 357 CG GLU A 30 1.971 3.183 8.407 1.00 0.00 C ATOM 358 CD GLU A 30 2.683 2.462 9.535 1.00 0.00 C ATOM 359 OE1 GLU A 30 2.010 2.096 10.522 1.00 0.00 O ATOM 360 OE2 GLU A 30 3.911 2.262 9.431 1.00 0.00 O ATOM 0 H GLU A 30 0.147 6.777 9.194 1.00 0.00 H new ATOM 0 HA GLU A 30 0.941 5.214 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.509 5.227 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.230 4.640 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.065 2.636 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.608 3.185 7.523 1.00 0.00 H new ATOM 367 N VAL A 31 -1.161 3.933 6.731 1.00 0.00 N ATOM 368 CA VAL A 31 -2.382 3.142 6.646 1.00 0.00 C ATOM 369 C VAL A 31 -2.081 1.653 6.779 1.00 0.00 C ATOM 370 O VAL A 31 -0.929 1.231 6.689 1.00 0.00 O ATOM 371 CB VAL A 31 -3.119 3.389 5.317 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.615 4.824 5.239 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.215 3.064 4.137 1.00 0.00 C ATOM 0 H VAL A 31 -0.684 4.070 5.840 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.022 3.456 7.471 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.985 2.728 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.133 4.979 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.301 5.017 6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.767 5.506 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.753 3.244 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.328 3.697 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.915 2.017 4.186 1.00 0.00 H new ATOM 383 N GLY A 32 -3.127 0.860 6.993 1.00 0.00 N ATOM 384 CA GLY A 32 -2.954 -0.574 7.134 1.00 0.00 C ATOM 385 C GLY A 32 -4.226 -1.343 6.834 1.00 0.00 C ATOM 386 O GLY A 32 -5.146 -1.378 7.650 1.00 0.00 O ATOM 0 H GLY A 32 -4.091 1.185 7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.163 -0.909 6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.627 -0.800 8.149 1.00 0.00 H new ATOM 390 N PHE A 33 -4.277 -1.961 5.658 1.00 0.00 N ATOM 391 CA PHE A 33 -5.447 -2.732 5.250 1.00 0.00 C ATOM 392 C PHE A 33 -5.178 -4.229 5.365 1.00 0.00 C ATOM 393 O PHE A 33 -4.052 -4.651 5.630 1.00 0.00 O ATOM 394 CB PHE A 33 -5.840 -2.381 3.813 1.00 0.00 C ATOM 395 CG PHE A 33 -4.765 -2.681 2.809 1.00 0.00 C ATOM 396 CD1 PHE A 33 -3.718 -1.796 2.608 1.00 0.00 C ATOM 397 CD2 PHE A 33 -4.803 -3.849 2.063 1.00 0.00 C ATOM 398 CE1 PHE A 33 -2.727 -2.070 1.683 1.00 0.00 C ATOM 399 CE2 PHE A 33 -3.814 -4.128 1.138 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.777 -3.237 0.947 1.00 0.00 C ATOM 0 H PHE A 33 -3.523 -1.943 4.971 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.271 -2.476 5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.741 -2.934 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.089 -1.321 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.675 -0.881 3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.614 -4.548 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.916 -1.372 1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.853 -5.043 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.006 -3.453 0.223 1.00 0.00 H new ATOM 410 N VAL A 34 -6.220 -5.028 5.164 1.00 0.00 N ATOM 411 CA VAL A 34 -6.098 -6.480 5.243 1.00 0.00 C ATOM 412 C VAL A 34 -7.064 -7.166 4.284 1.00 0.00 C ATOM 413 O VAL A 34 -8.229 -6.784 4.181 1.00 0.00 O ATOM 414 CB VAL A 34 -6.364 -6.988 6.673 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.749 -6.569 7.140 1.00 0.00 C ATOM 416 CG2 VAL A 34 -6.203 -8.499 6.739 1.00 0.00 C ATOM 0 H VAL A 34 -7.159 -4.695 4.945 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.075 -6.728 4.961 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.631 -6.538 7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.919 -6.937 8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.822 -5.481 7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.501 -6.988 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.394 -8.841 7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.912 -8.970 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.187 -8.770 6.450 1.00 0.00 H new ATOM 426 N VAL A 35 -6.572 -8.182 3.584 1.00 0.00 N ATOM 427 CA VAL A 35 -7.391 -8.925 2.633 1.00 0.00 C ATOM 428 C VAL A 35 -8.109 -10.085 3.315 1.00 0.00 C ATOM 429 O VAL A 35 -7.486 -10.898 3.998 1.00 0.00 O ATOM 430 CB VAL A 35 -6.545 -9.472 1.469 1.00 0.00 C ATOM 431 CG1 VAL A 35 -7.397 -10.330 0.546 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.896 -8.331 0.700 1.00 0.00 C ATOM 0 H VAL A 35 -5.609 -8.510 3.657 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.129 -8.226 2.238 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.754 -10.099 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.782 -10.708 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.810 -11.168 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.211 -9.730 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.302 -8.736 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.670 -7.677 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.251 -7.762 1.369 1.00 0.00 H new ATOM 442 N ASP A 36 -9.421 -10.155 3.125 1.00 0.00 N ATOM 443 CA ASP A 36 -10.225 -11.217 3.719 1.00 0.00 C ATOM 444 C ASP A 36 -10.480 -12.334 2.712 1.00 0.00 C ATOM 445 O ASP A 36 -10.965 -12.089 1.608 1.00 0.00 O ATOM 446 CB ASP A 36 -11.555 -10.657 4.226 1.00 0.00 C ATOM 447 CG ASP A 36 -12.072 -11.403 5.441 1.00 0.00 C ATOM 448 OD1 ASP A 36 -12.438 -12.587 5.297 1.00 0.00 O ATOM 449 OD2 ASP A 36 -12.111 -10.801 6.534 1.00 0.00 O ATOM 0 H ASP A 36 -9.951 -9.489 2.564 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.670 -11.631 4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.431 -9.603 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.296 -10.710 3.428 1.00 0.00 H new ATOM 454 N ALA A 37 -10.149 -13.561 3.101 1.00 0.00 N ATOM 455 CA ALA A 37 -10.343 -14.716 2.233 1.00 0.00 C ATOM 456 C ALA A 37 -11.087 -15.831 2.961 1.00 0.00 C ATOM 457 O ALA A 37 -10.676 -16.266 4.037 1.00 0.00 O ATOM 458 CB ALA A 37 -9.004 -15.220 1.718 1.00 0.00 C ATOM 0 H ALA A 37 -9.745 -13.781 4.012 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.951 -14.404 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.164 -16.083 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.511 -14.429 1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.376 -15.510 2.560 1.00 0.00 H new ATOM 464 N LYS A 38 -12.184 -16.290 2.368 1.00 0.00 N ATOM 465 CA LYS A 38 -12.985 -17.355 2.959 1.00 0.00 C ATOM 466 C LYS A 38 -13.153 -18.514 1.983 1.00 0.00 C ATOM 467 O LYS A 38 -13.032 -19.680 2.361 1.00 0.00 O ATOM 468 CB LYS A 38 -14.358 -16.819 3.372 1.00 0.00 C ATOM 469 CG LYS A 38 -15.037 -15.991 2.295 1.00 0.00 C ATOM 470 CD LYS A 38 -16.410 -15.514 2.740 1.00 0.00 C ATOM 471 CE LYS A 38 -16.308 -14.319 3.674 1.00 0.00 C ATOM 472 NZ LYS A 38 -17.529 -14.166 4.515 1.00 0.00 N ATOM 0 H LYS A 38 -12.539 -15.941 1.478 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.463 -17.720 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.003 -17.658 3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.246 -16.211 4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.414 -15.131 2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.134 -16.584 1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.004 -15.245 1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.934 -16.327 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.436 -14.434 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.154 -13.413 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.420 -13.340 5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.358 -14.030 3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.662 -15.020 5.093 1.00 0.00 H new ATOM 486 N THR A 39 -13.432 -18.188 0.725 1.00 0.00 N ATOM 487 CA THR A 39 -13.615 -19.202 -0.306 1.00 0.00 C ATOM 488 C THR A 39 -12.476 -19.172 -1.317 1.00 0.00 C ATOM 489 O THR A 39 -12.253 -20.139 -2.046 1.00 0.00 O ATOM 490 CB THR A 39 -14.952 -19.012 -1.048 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.054 -17.670 -1.535 1.00 0.00 O ATOM 492 CG2 THR A 39 -16.127 -19.317 -0.133 1.00 0.00 C ATOM 0 H THR A 39 -13.536 -17.228 0.395 1.00 0.00 H new ATOM 0 HA THR A 39 -13.621 -20.168 0.199 1.00 0.00 H new ATOM 0 HB THR A 39 -14.979 -19.706 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.997 -17.403 -1.563 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.060 -19.176 -0.679 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.061 -20.349 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.104 -18.645 0.725 1.00 0.00 H new ATOM 500 N ALA A 40 -11.755 -18.056 -1.356 1.00 0.00 N ATOM 501 CA ALA A 40 -10.635 -17.901 -2.277 1.00 0.00 C ATOM 502 C ALA A 40 -9.810 -19.181 -2.357 1.00 0.00 C ATOM 503 O ALA A 40 -9.305 -19.540 -3.420 1.00 0.00 O ATOM 504 CB ALA A 40 -9.759 -16.733 -1.851 1.00 0.00 C ATOM 0 H ALA A 40 -11.926 -17.246 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.038 -17.696 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.927 -16.629 -2.548 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.349 -15.817 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.372 -16.915 -0.848 1.00 0.00 H new ATOM 510 N GLY A 41 -9.674 -19.865 -1.224 1.00 0.00 N ATOM 511 CA GLY A 41 -8.908 -21.097 -1.189 1.00 0.00 C ATOM 512 C GLY A 41 -7.438 -20.858 -0.910 1.00 0.00 C ATOM 513 O GLY A 41 -7.084 -20.021 -0.078 1.00 0.00 O ATOM 0 H GLY A 41 -10.081 -19.588 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.318 -21.754 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.014 -21.614 -2.142 1.00 0.00 H new ATOM 517 N LYS A 42 -6.578 -21.594 -1.605 1.00 0.00 N ATOM 518 CA LYS A 42 -5.136 -21.458 -1.428 1.00 0.00 C ATOM 519 C LYS A 42 -4.571 -20.390 -2.360 1.00 0.00 C ATOM 520 O LYS A 42 -5.027 -20.237 -3.493 1.00 0.00 O ATOM 521 CB LYS A 42 -4.442 -22.797 -1.690 1.00 0.00 C ATOM 522 CG LYS A 42 -3.127 -22.955 -0.947 1.00 0.00 C ATOM 523 CD LYS A 42 -1.958 -22.426 -1.763 1.00 0.00 C ATOM 524 CE LYS A 42 -0.660 -22.474 -0.973 1.00 0.00 C ATOM 525 NZ LYS A 42 0.477 -21.890 -1.738 1.00 0.00 N ATOM 0 H LYS A 42 -6.854 -22.291 -2.296 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.948 -21.153 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.112 -23.607 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.260 -22.899 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.179 -22.423 0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.963 -24.007 -0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.853 -23.015 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.161 -21.400 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.785 -21.931 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.431 -23.508 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.350 -21.972 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.591 -22.402 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.285 -20.887 -1.934 1.00 0.00 H new ATOM 539 N GLY A 43 -3.577 -19.654 -1.875 1.00 0.00 N ATOM 540 CA GLY A 43 -2.965 -18.610 -2.677 1.00 0.00 C ATOM 541 C GLY A 43 -2.407 -17.482 -1.833 1.00 0.00 C ATOM 542 O GLY A 43 -2.934 -17.176 -0.763 1.00 0.00 O ATOM 0 H GLY A 43 -3.184 -19.762 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.164 -19.040 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.704 -18.209 -3.371 1.00 0.00 H new ATOM 546 N LYS A 44 -1.333 -16.863 -2.313 1.00 0.00 N ATOM 547 CA LYS A 44 -0.700 -15.762 -1.596 1.00 0.00 C ATOM 548 C LYS A 44 -1.170 -14.417 -2.140 1.00 0.00 C ATOM 549 O LYS A 44 -1.675 -14.331 -3.259 1.00 0.00 O ATOM 550 CB LYS A 44 0.823 -15.864 -1.705 1.00 0.00 C ATOM 551 CG LYS A 44 1.414 -17.019 -0.914 1.00 0.00 C ATOM 552 CD LYS A 44 1.280 -18.334 -1.664 1.00 0.00 C ATOM 553 CE LYS A 44 2.408 -19.292 -1.313 1.00 0.00 C ATOM 554 NZ LYS A 44 2.221 -19.900 0.033 1.00 0.00 N ATOM 0 H LYS A 44 -0.883 -17.105 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.989 -15.831 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.097 -15.975 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.267 -14.931 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.466 -16.821 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.911 -17.096 0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.322 -18.795 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.283 -18.144 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.461 -20.081 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.359 -18.760 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.922 -20.656 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.348 -19.171 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.263 -20.299 0.104 1.00 0.00 H new ATOM 568 N VAL A 45 -0.999 -13.368 -1.341 1.00 0.00 N ATOM 569 CA VAL A 45 -1.405 -12.026 -1.743 1.00 0.00 C ATOM 570 C VAL A 45 -0.207 -11.083 -1.789 1.00 0.00 C ATOM 571 O VAL A 45 0.440 -10.832 -0.772 1.00 0.00 O ATOM 572 CB VAL A 45 -2.463 -11.449 -0.785 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.901 -10.066 -1.245 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.656 -12.388 -0.682 1.00 0.00 C ATOM 0 H VAL A 45 -0.582 -13.422 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.838 -12.110 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.018 -11.353 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.649 -9.673 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.039 -9.399 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.329 -10.134 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.394 -11.965 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.103 -12.517 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.326 -13.356 -0.304 1.00 0.00 H new ATOM 584 N THR A 46 0.082 -10.560 -2.977 1.00 0.00 N ATOM 585 CA THR A 46 1.200 -9.643 -3.157 1.00 0.00 C ATOM 586 C THR A 46 0.712 -8.216 -3.375 1.00 0.00 C ATOM 587 O THR A 46 -0.240 -7.982 -4.121 1.00 0.00 O ATOM 588 CB THR A 46 2.082 -10.061 -4.348 1.00 0.00 C ATOM 589 OG1 THR A 46 1.301 -10.091 -5.549 1.00 0.00 O ATOM 590 CG2 THR A 46 2.705 -11.427 -4.109 1.00 0.00 C ATOM 0 H THR A 46 -0.443 -10.756 -3.829 1.00 0.00 H new ATOM 0 HA THR A 46 1.793 -9.684 -2.243 1.00 0.00 H new ATOM 0 HB THR A 46 2.882 -9.328 -4.453 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.869 -10.356 -6.302 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.323 -11.700 -4.964 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.322 -11.393 -3.211 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.917 -12.169 -3.980 1.00 0.00 H new ATOM 598 N CYS A 47 1.370 -7.265 -2.723 1.00 0.00 N ATOM 599 CA CYS A 47 1.002 -5.858 -2.846 1.00 0.00 C ATOM 600 C CYS A 47 2.179 -5.030 -3.351 1.00 0.00 C ATOM 601 O CYS A 47 3.333 -5.304 -3.019 1.00 0.00 O ATOM 602 CB CYS A 47 0.521 -5.315 -1.500 1.00 0.00 C ATOM 603 SG CYS A 47 0.512 -3.509 -1.393 1.00 0.00 S ATOM 0 H CYS A 47 2.161 -7.441 -2.104 1.00 0.00 H new ATOM 0 HA CYS A 47 0.191 -5.783 -3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.487 -5.685 -1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.160 -5.712 -0.711 1.00 0.00 H new ATOM 0 HG CYS A 47 0.088 -3.146 -0.219 1.00 0.00 H new ATOM 609 N THR A 48 1.881 -4.016 -4.158 1.00 0.00 N ATOM 610 CA THR A 48 2.914 -3.151 -4.712 1.00 0.00 C ATOM 611 C THR A 48 2.458 -1.696 -4.735 1.00 0.00 C ATOM 612 O THR A 48 1.535 -1.337 -5.466 1.00 0.00 O ATOM 613 CB THR A 48 3.301 -3.579 -6.139 1.00 0.00 C ATOM 614 OG1 THR A 48 3.728 -4.946 -6.142 1.00 0.00 O ATOM 615 CG2 THR A 48 4.409 -2.695 -6.689 1.00 0.00 C ATOM 0 H THR A 48 0.932 -3.774 -4.442 1.00 0.00 H new ATOM 0 HA THR A 48 3.786 -3.246 -4.065 1.00 0.00 H new ATOM 0 HB THR A 48 2.423 -3.471 -6.776 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.971 -5.211 -7.054 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.665 -3.018 -7.698 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.070 -1.659 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.288 -2.773 -6.050 1.00 0.00 H new ATOM 623 N VAL A 49 3.111 -0.862 -3.932 1.00 0.00 N ATOM 624 CA VAL A 49 2.774 0.554 -3.863 1.00 0.00 C ATOM 625 C VAL A 49 3.446 1.335 -4.986 1.00 0.00 C ATOM 626 O VAL A 49 4.673 1.429 -5.042 1.00 0.00 O ATOM 627 CB VAL A 49 3.186 1.163 -2.510 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.792 2.631 -2.443 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.562 0.383 -1.362 1.00 0.00 C ATOM 0 H VAL A 49 3.877 -1.143 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 49 1.692 0.627 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 49 4.270 1.097 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.091 3.044 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.290 3.178 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.712 2.723 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.864 0.827 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.476 0.415 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.899 -0.653 -1.401 1.00 0.00 H new ATOM 639 N LEU A 50 2.636 1.893 -5.879 1.00 0.00 N ATOM 640 CA LEU A 50 3.153 2.668 -7.002 1.00 0.00 C ATOM 641 C LEU A 50 2.967 4.163 -6.764 1.00 0.00 C ATOM 642 O LEU A 50 1.840 4.653 -6.667 1.00 0.00 O ATOM 643 CB LEU A 50 2.452 2.254 -8.297 1.00 0.00 C ATOM 644 CG LEU A 50 2.941 2.941 -9.572 1.00 0.00 C ATOM 645 CD1 LEU A 50 4.414 2.642 -9.809 1.00 0.00 C ATOM 646 CD2 LEU A 50 2.108 2.501 -10.768 1.00 0.00 C ATOM 0 H LEU A 50 1.619 1.823 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 50 4.220 2.464 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.567 1.177 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.385 2.450 -8.188 1.00 0.00 H new ATOM 0 HG LEU A 50 2.825 4.018 -9.448 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.744 3.139 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.000 3.006 -8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.555 1.566 -9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.470 3.000 -11.667 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.193 1.422 -10.893 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.064 2.766 -10.602 1.00 0.00 H new ATOM 658 N THR A 51 4.078 4.886 -6.670 1.00 0.00 N ATOM 659 CA THR A 51 4.039 6.325 -6.446 1.00 0.00 C ATOM 660 C THR A 51 3.869 7.083 -7.757 1.00 0.00 C ATOM 661 O THR A 51 4.318 6.645 -8.817 1.00 0.00 O ATOM 662 CB THR A 51 5.317 6.820 -5.741 1.00 0.00 C ATOM 663 OG1 THR A 51 6.467 6.492 -6.529 1.00 0.00 O ATOM 664 CG2 THR A 51 5.447 6.198 -4.359 1.00 0.00 C ATOM 0 H THR A 51 5.018 4.497 -6.746 1.00 0.00 H new ATOM 0 HA THR A 51 3.180 6.520 -5.804 1.00 0.00 H new ATOM 0 HB THR A 51 5.250 7.902 -5.629 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.540 5.518 -6.611 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.356 6.562 -3.880 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.583 6.473 -3.754 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.495 5.113 -4.451 1.00 0.00 H new ATOM 672 N PRO A 52 3.207 8.247 -7.688 1.00 0.00 N ATOM 673 CA PRO A 52 2.965 9.091 -8.862 1.00 0.00 C ATOM 674 C PRO A 52 4.244 9.736 -9.385 1.00 0.00 C ATOM 675 O PRO A 52 4.250 10.342 -10.457 1.00 0.00 O ATOM 676 CB PRO A 52 2.003 10.159 -8.338 1.00 0.00 C ATOM 677 CG PRO A 52 2.270 10.226 -6.874 1.00 0.00 C ATOM 678 CD PRO A 52 2.645 8.830 -6.459 1.00 0.00 C ATOM 0 HA PRO A 52 2.571 8.519 -9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.182 11.122 -8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.966 9.890 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.075 10.928 -6.655 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.390 10.571 -6.332 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.372 8.834 -5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.779 8.269 -6.108 1.00 0.00 H new ATOM 686 N ASP A 53 5.324 9.602 -8.624 1.00 0.00 N ATOM 687 CA ASP A 53 6.609 10.171 -9.013 1.00 0.00 C ATOM 688 C ASP A 53 7.273 9.325 -10.094 1.00 0.00 C ATOM 689 O ASP A 53 8.097 9.817 -10.863 1.00 0.00 O ATOM 690 CB ASP A 53 7.530 10.282 -7.797 1.00 0.00 C ATOM 691 CG ASP A 53 7.159 11.440 -6.893 1.00 0.00 C ATOM 692 OD1 ASP A 53 6.288 11.254 -6.017 1.00 0.00 O ATOM 693 OD2 ASP A 53 7.739 12.534 -7.061 1.00 0.00 O ATOM 0 H ASP A 53 5.335 9.104 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 53 6.430 11.168 -9.416 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.489 9.353 -7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.559 10.404 -8.135 1.00 0.00 H new ATOM 698 N GLY A 54 6.908 8.047 -10.146 1.00 0.00 N ATOM 699 CA GLY A 54 7.480 7.152 -11.136 1.00 0.00 C ATOM 700 C GLY A 54 8.426 6.139 -10.524 1.00 0.00 C ATOM 701 O GLY A 54 9.365 5.681 -11.177 1.00 0.00 O ATOM 0 H GLY A 54 6.227 7.616 -9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.677 6.628 -11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.014 7.737 -11.885 1.00 0.00 H new ATOM 705 N THR A 55 8.181 5.787 -9.266 1.00 0.00 N ATOM 706 CA THR A 55 9.020 4.824 -8.565 1.00 0.00 C ATOM 707 C THR A 55 8.179 3.726 -7.923 1.00 0.00 C ATOM 708 O THR A 55 7.128 3.996 -7.343 1.00 0.00 O ATOM 709 CB THR A 55 9.869 5.506 -7.476 1.00 0.00 C ATOM 710 OG1 THR A 55 9.023 6.234 -6.579 1.00 0.00 O ATOM 711 CG2 THR A 55 10.889 6.449 -8.096 1.00 0.00 C ATOM 0 H THR A 55 7.408 6.155 -8.712 1.00 0.00 H new ATOM 0 HA THR A 55 9.683 4.383 -9.309 1.00 0.00 H new ATOM 0 HB THR A 55 10.402 4.731 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.130 6.323 -6.972 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.477 6.919 -7.307 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.550 5.887 -8.755 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.372 7.218 -8.670 1.00 0.00 H new ATOM 719 N GLU A 56 8.649 2.487 -8.031 1.00 0.00 N ATOM 720 CA GLU A 56 7.939 1.349 -7.461 1.00 0.00 C ATOM 721 C GLU A 56 8.404 1.076 -6.034 1.00 0.00 C ATOM 722 O GLU A 56 9.555 0.705 -5.806 1.00 0.00 O ATOM 723 CB GLU A 56 8.148 0.103 -8.325 1.00 0.00 C ATOM 724 CG GLU A 56 7.432 0.164 -9.664 1.00 0.00 C ATOM 725 CD GLU A 56 8.150 -0.620 -10.745 1.00 0.00 C ATOM 726 OE1 GLU A 56 7.972 -1.855 -10.801 1.00 0.00 O ATOM 727 OE2 GLU A 56 8.890 0.002 -11.536 1.00 0.00 O ATOM 0 H GLU A 56 9.518 2.246 -8.508 1.00 0.00 H new ATOM 0 HA GLU A 56 6.877 1.592 -7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.215 -0.033 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.800 -0.772 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.420 -0.225 -9.549 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.340 1.204 -9.975 1.00 0.00 H new ATOM 734 N ALA A 57 7.501 1.262 -5.077 1.00 0.00 N ATOM 735 CA ALA A 57 7.819 1.035 -3.672 1.00 0.00 C ATOM 736 C ALA A 57 7.247 -0.293 -3.188 1.00 0.00 C ATOM 737 O ALA A 57 6.234 -0.766 -3.702 1.00 0.00 O ATOM 738 CB ALA A 57 7.291 2.180 -2.821 1.00 0.00 C ATOM 0 H ALA A 57 6.544 1.569 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 57 8.904 0.992 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.535 1.998 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.750 3.115 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.209 2.249 -2.935 1.00 0.00 H new ATOM 744 N GLU A 58 7.905 -0.890 -2.200 1.00 0.00 N ATOM 745 CA GLU A 58 7.462 -2.165 -1.648 1.00 0.00 C ATOM 746 C GLU A 58 6.592 -1.951 -0.413 1.00 0.00 C ATOM 747 O GLU A 58 6.607 -0.880 0.192 1.00 0.00 O ATOM 748 CB GLU A 58 8.667 -3.039 -1.291 1.00 0.00 C ATOM 749 CG GLU A 58 9.591 -2.408 -0.262 1.00 0.00 C ATOM 750 CD GLU A 58 10.819 -3.254 0.014 1.00 0.00 C ATOM 751 OE1 GLU A 58 11.374 -3.825 -0.947 1.00 0.00 O ATOM 752 OE2 GLU A 58 11.225 -3.345 1.192 1.00 0.00 O ATOM 0 H GLU A 58 8.747 -0.512 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 58 6.867 -2.672 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.311 -3.996 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.235 -3.248 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.903 -1.425 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.043 -2.255 0.668 1.00 0.00 H new ATOM 759 N ALA A 59 5.832 -2.979 -0.047 1.00 0.00 N ATOM 760 CA ALA A 59 4.956 -2.905 1.116 1.00 0.00 C ATOM 761 C ALA A 59 5.193 -4.081 2.057 1.00 0.00 C ATOM 762 O ALA A 59 5.630 -5.150 1.633 1.00 0.00 O ATOM 763 CB ALA A 59 3.499 -2.863 0.677 1.00 0.00 C ATOM 0 H ALA A 59 5.806 -3.872 -0.539 1.00 0.00 H new ATOM 0 HA ALA A 59 5.188 -1.988 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.856 -2.808 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.333 -1.987 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.263 -3.764 0.111 1.00 0.00 H new ATOM 769 N ASP A 60 4.903 -3.874 3.337 1.00 0.00 N ATOM 770 CA ASP A 60 5.085 -4.918 4.340 1.00 0.00 C ATOM 771 C ASP A 60 3.832 -5.781 4.459 1.00 0.00 C ATOM 772 O ASP A 60 2.797 -5.328 4.948 1.00 0.00 O ATOM 773 CB ASP A 60 5.422 -4.298 5.697 1.00 0.00 C ATOM 774 CG ASP A 60 6.518 -3.255 5.600 1.00 0.00 C ATOM 775 OD1 ASP A 60 6.205 -2.093 5.268 1.00 0.00 O ATOM 776 OD2 ASP A 60 7.690 -3.601 5.857 1.00 0.00 O ATOM 0 H ASP A 60 4.541 -2.994 3.705 1.00 0.00 H new ATOM 0 HA ASP A 60 5.913 -5.552 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.526 -3.841 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.732 -5.084 6.386 1.00 0.00 H new ATOM 781 N VAL A 61 3.933 -7.027 4.006 1.00 0.00 N ATOM 782 CA VAL A 61 2.809 -7.954 4.062 1.00 0.00 C ATOM 783 C VAL A 61 2.868 -8.815 5.317 1.00 0.00 C ATOM 784 O VAL A 61 3.950 -9.151 5.802 1.00 0.00 O ATOM 785 CB VAL A 61 2.776 -8.870 2.824 1.00 0.00 C ATOM 786 CG1 VAL A 61 1.666 -9.903 2.954 1.00 0.00 C ATOM 787 CG2 VAL A 61 2.605 -8.048 1.556 1.00 0.00 C ATOM 0 H VAL A 61 4.782 -7.417 3.596 1.00 0.00 H new ATOM 0 HA VAL A 61 1.902 -7.351 4.083 1.00 0.00 H new ATOM 0 HB VAL A 61 3.727 -9.399 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.658 -10.541 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.839 -10.513 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.706 -9.396 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.584 -8.712 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.670 -7.490 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.438 -7.352 1.458 1.00 0.00 H new ATOM 797 N ILE A 62 1.699 -9.171 5.840 1.00 0.00 N ATOM 798 CA ILE A 62 1.619 -9.996 7.039 1.00 0.00 C ATOM 799 C ILE A 62 0.572 -11.094 6.883 1.00 0.00 C ATOM 800 O ILE A 62 -0.629 -10.829 6.929 1.00 0.00 O ATOM 801 CB ILE A 62 1.279 -9.152 8.282 1.00 0.00 C ATOM 802 CG1 ILE A 62 2.404 -8.156 8.572 1.00 0.00 C ATOM 803 CG2 ILE A 62 1.038 -10.051 9.485 1.00 0.00 C ATOM 804 CD1 ILE A 62 2.231 -6.827 7.869 1.00 0.00 C ATOM 0 H ILE A 62 0.795 -8.901 5.452 1.00 0.00 H new ATOM 0 HA ILE A 62 2.601 -10.450 7.175 1.00 0.00 H new ATOM 0 HB ILE A 62 0.365 -8.593 8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.458 -7.985 9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.355 -8.596 8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.799 -9.439 10.355 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.207 -10.724 9.276 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.935 -10.635 9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.065 -6.171 8.120 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.207 -6.986 6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.297 -6.365 8.189 1.00 0.00 H new ATOM 816 N GLU A 63 1.036 -12.326 6.699 1.00 0.00 N ATOM 817 CA GLU A 63 0.139 -13.463 6.537 1.00 0.00 C ATOM 818 C GLU A 63 -0.399 -13.928 7.886 1.00 0.00 C ATOM 819 O GLU A 63 0.293 -13.858 8.900 1.00 0.00 O ATOM 820 CB GLU A 63 0.863 -14.617 5.839 1.00 0.00 C ATOM 821 CG GLU A 63 1.996 -15.209 6.660 1.00 0.00 C ATOM 822 CD GLU A 63 2.695 -16.353 5.951 1.00 0.00 C ATOM 823 OE1 GLU A 63 2.128 -17.465 5.917 1.00 0.00 O ATOM 824 OE2 GLU A 63 3.808 -16.136 5.428 1.00 0.00 O ATOM 0 H GLU A 63 2.028 -12.562 6.658 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.702 -13.145 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.142 -15.402 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.261 -14.263 4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.722 -14.428 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.603 -15.563 7.613 1.00 0.00 H new ATOM 831 N ASN A 64 -1.641 -14.404 7.890 1.00 0.00 N ATOM 832 CA ASN A 64 -2.274 -14.879 9.115 1.00 0.00 C ATOM 833 C ASN A 64 -2.906 -16.252 8.902 1.00 0.00 C ATOM 834 O ASN A 64 -3.315 -16.592 7.793 1.00 0.00 O ATOM 835 CB ASN A 64 -3.336 -13.883 9.584 1.00 0.00 C ATOM 836 CG ASN A 64 -2.749 -12.763 10.420 1.00 0.00 C ATOM 837 OD1 ASN A 64 -2.118 -11.799 9.758 1.00 0.00 O flip ATOM 838 ND2 ASN A 64 -2.860 -12.764 11.646 1.00 0.00 N flip ATOM 0 H ASN A 64 -2.228 -14.471 7.059 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.505 -14.967 9.882 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.841 -13.459 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.092 -14.410 10.166 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.353 -13.525 12.113 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.459 -12.004 12.195 1.00 0.00 H new ATOM 845 N GLU A 65 -2.980 -17.035 9.974 1.00 0.00 N ATOM 846 CA GLU A 65 -3.562 -18.369 9.905 1.00 0.00 C ATOM 847 C GLU A 65 -5.012 -18.308 9.430 1.00 0.00 C ATOM 848 O GLU A 65 -5.540 -19.279 8.891 1.00 0.00 O ATOM 849 CB GLU A 65 -3.490 -19.053 11.272 1.00 0.00 C ATOM 850 CG GLU A 65 -2.147 -19.704 11.558 1.00 0.00 C ATOM 851 CD GLU A 65 -2.073 -20.301 12.949 1.00 0.00 C ATOM 852 OE1 GLU A 65 -3.134 -20.676 13.490 1.00 0.00 O ATOM 853 OE2 GLU A 65 -0.954 -20.393 13.497 1.00 0.00 O ATOM 0 H GLU A 65 -2.644 -16.768 10.899 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.987 -18.951 9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.700 -18.317 12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.271 -19.811 11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.962 -20.485 10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.356 -18.963 11.442 1.00 0.00 H new ATOM 860 N ASP A 66 -5.646 -17.159 9.636 1.00 0.00 N ATOM 861 CA ASP A 66 -7.034 -16.969 9.230 1.00 0.00 C ATOM 862 C ASP A 66 -7.120 -16.571 7.759 1.00 0.00 C ATOM 863 O ASP A 66 -7.966 -15.768 7.372 1.00 0.00 O ATOM 864 CB ASP A 66 -7.701 -15.903 10.100 1.00 0.00 C ATOM 865 CG ASP A 66 -8.296 -16.481 11.369 1.00 0.00 C ATOM 866 OD1 ASP A 66 -9.319 -17.191 11.274 1.00 0.00 O ATOM 867 OD2 ASP A 66 -7.738 -16.223 12.456 1.00 0.00 O ATOM 0 H ASP A 66 -5.221 -16.346 10.081 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.559 -17.915 9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.968 -15.140 10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.485 -15.409 9.527 1.00 0.00 H new ATOM 872 N GLY A 67 -6.233 -17.137 6.945 1.00 0.00 N ATOM 873 CA GLY A 67 -6.226 -16.827 5.527 1.00 0.00 C ATOM 874 C GLY A 67 -6.365 -15.342 5.257 1.00 0.00 C ATOM 875 O GLY A 67 -6.977 -14.937 4.269 1.00 0.00 O ATOM 0 H GLY A 67 -5.520 -17.804 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.298 -17.188 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.041 -17.360 5.038 1.00 0.00 H new ATOM 879 N THR A 68 -5.794 -14.526 6.139 1.00 0.00 N ATOM 880 CA THR A 68 -5.859 -13.078 5.993 1.00 0.00 C ATOM 881 C THR A 68 -4.464 -12.471 5.901 1.00 0.00 C ATOM 882 O THR A 68 -3.532 -12.929 6.564 1.00 0.00 O ATOM 883 CB THR A 68 -6.613 -12.428 7.169 1.00 0.00 C ATOM 884 OG1 THR A 68 -6.328 -13.132 8.382 1.00 0.00 O ATOM 885 CG2 THR A 68 -8.114 -12.428 6.916 1.00 0.00 C ATOM 0 H THR A 68 -5.282 -14.844 6.961 1.00 0.00 H new ATOM 0 HA THR A 68 -6.401 -12.878 5.069 1.00 0.00 H new ATOM 0 HB THR A 68 -6.277 -11.395 7.262 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.810 -12.712 9.125 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.625 -11.964 7.760 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.330 -11.866 6.007 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.463 -13.454 6.800 1.00 0.00 H new ATOM 893 N TYR A 69 -4.326 -11.439 5.077 1.00 0.00 N ATOM 894 CA TYR A 69 -3.043 -10.770 4.898 1.00 0.00 C ATOM 895 C TYR A 69 -3.167 -9.272 5.162 1.00 0.00 C ATOM 896 O TYR A 69 -3.913 -8.571 4.480 1.00 0.00 O ATOM 897 CB TYR A 69 -2.514 -11.007 3.483 1.00 0.00 C ATOM 898 CG TYR A 69 -2.060 -12.428 3.236 1.00 0.00 C ATOM 899 CD1 TYR A 69 -2.943 -13.493 3.367 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.748 -12.706 2.873 1.00 0.00 C ATOM 901 CE1 TYR A 69 -2.533 -14.793 3.143 1.00 0.00 C ATOM 902 CE2 TYR A 69 -0.329 -14.004 2.646 1.00 0.00 C ATOM 903 CZ TYR A 69 -1.226 -15.044 2.782 1.00 0.00 C ATOM 904 OH TYR A 69 -0.812 -16.336 2.559 1.00 0.00 O ATOM 0 H TYR A 69 -5.087 -11.047 4.522 1.00 0.00 H new ATOM 0 HA TYR A 69 -2.340 -11.190 5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.294 -10.754 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.679 -10.331 3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.968 -13.301 3.649 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.043 -11.894 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.233 -15.609 3.250 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.694 -14.203 2.364 1.00 0.00 H new ATOM 0 HH TYR A 69 0.136 -16.338 2.312 1.00 0.00 H new ATOM 914 N ASP A 70 -2.430 -8.791 6.157 1.00 0.00 N ATOM 915 CA ASP A 70 -2.454 -7.377 6.512 1.00 0.00 C ATOM 916 C ASP A 70 -1.214 -6.662 5.983 1.00 0.00 C ATOM 917 O ASP A 70 -0.090 -7.123 6.180 1.00 0.00 O ATOM 918 CB ASP A 70 -2.545 -7.212 8.030 1.00 0.00 C ATOM 919 CG ASP A 70 -1.846 -8.329 8.777 1.00 0.00 C ATOM 920 OD1 ASP A 70 -2.112 -9.509 8.466 1.00 0.00 O ATOM 921 OD2 ASP A 70 -1.031 -8.025 9.674 1.00 0.00 O ATOM 0 H ASP A 70 -1.808 -9.360 6.732 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.334 -6.927 6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.104 -6.257 8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.593 -7.181 8.327 1.00 0.00 H new ATOM 926 N ILE A 71 -1.429 -5.535 5.312 1.00 0.00 N ATOM 927 CA ILE A 71 -0.328 -4.758 4.755 1.00 0.00 C ATOM 928 C ILE A 71 -0.410 -3.300 5.192 1.00 0.00 C ATOM 929 O ILE A 71 -1.494 -2.782 5.469 1.00 0.00 O ATOM 930 CB ILE A 71 -0.316 -4.821 3.217 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.428 -6.272 2.744 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.950 -4.177 2.670 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.116 -6.419 1.405 1.00 0.00 C ATOM 0 H ILE A 71 -2.354 -5.140 5.141 1.00 0.00 H new ATOM 0 HA ILE A 71 0.594 -5.198 5.135 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.175 -4.267 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.571 -6.703 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.976 -6.848 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.944 -4.229 1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.992 -3.134 2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.822 -4.706 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.160 -7.473 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.128 -6.018 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.557 -5.871 0.647 1.00 0.00 H new ATOM 945 N PHE A 72 0.742 -2.639 5.251 1.00 0.00 N ATOM 946 CA PHE A 72 0.801 -1.238 5.653 1.00 0.00 C ATOM 947 C PHE A 72 1.723 -0.447 4.731 1.00 0.00 C ATOM 948 O PHE A 72 2.719 -0.971 4.231 1.00 0.00 O ATOM 949 CB PHE A 72 1.285 -1.122 7.100 1.00 0.00 C ATOM 950 CG PHE A 72 0.519 -1.986 8.060 1.00 0.00 C ATOM 951 CD1 PHE A 72 0.706 -3.359 8.077 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.389 -1.426 8.945 1.00 0.00 C ATOM 953 CE1 PHE A 72 0.003 -4.157 8.960 1.00 0.00 C ATOM 954 CE2 PHE A 72 -1.094 -2.219 9.830 1.00 0.00 C ATOM 955 CZ PHE A 72 -0.899 -3.587 9.837 1.00 0.00 C ATOM 0 H PHE A 72 1.647 -3.051 5.025 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.203 -0.821 5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.340 -1.391 7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.208 -0.082 7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.409 -3.811 7.393 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.547 -0.358 8.943 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.159 -5.226 8.964 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.797 -1.770 10.516 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.451 -4.209 10.527 1.00 0.00 H new ATOM 965 N TYR A 73 1.383 0.818 4.509 1.00 0.00 N ATOM 966 CA TYR A 73 2.177 1.683 3.645 1.00 0.00 C ATOM 967 C TYR A 73 1.917 3.153 3.957 1.00 0.00 C ATOM 968 O TYR A 73 0.888 3.505 4.535 1.00 0.00 O ATOM 969 CB TYR A 73 1.862 1.399 2.175 1.00 0.00 C ATOM 970 CG TYR A 73 0.626 2.111 1.672 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.694 3.421 1.214 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.607 1.474 1.655 1.00 0.00 C ATOM 973 CE1 TYR A 73 -0.432 4.076 0.755 1.00 0.00 C ATOM 974 CE2 TYR A 73 -1.739 2.121 1.195 1.00 0.00 C ATOM 975 CZ TYR A 73 -1.647 3.422 0.747 1.00 0.00 C ATOM 976 OH TYR A 73 -2.770 4.069 0.289 1.00 0.00 O ATOM 0 H TYR A 73 0.562 1.267 4.916 1.00 0.00 H new ATOM 0 HA TYR A 73 3.230 1.472 3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.715 1.696 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.732 0.325 2.041 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.643 3.936 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.683 0.456 2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.362 5.095 0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.690 1.610 1.187 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.567 3.556 0.538 1.00 0.00 H new ATOM 986 N THR A 74 2.858 4.009 3.571 1.00 0.00 N ATOM 987 CA THR A 74 2.733 5.442 3.809 1.00 0.00 C ATOM 988 C THR A 74 2.837 6.227 2.507 1.00 0.00 C ATOM 989 O THR A 74 3.450 5.769 1.543 1.00 0.00 O ATOM 990 CB THR A 74 3.813 5.945 4.787 1.00 0.00 C ATOM 991 OG1 THR A 74 3.689 5.270 6.043 1.00 0.00 O ATOM 992 CG2 THR A 74 3.693 7.447 4.998 1.00 0.00 C ATOM 0 H THR A 74 3.716 3.735 3.092 1.00 0.00 H new ATOM 0 HA THR A 74 1.750 5.605 4.250 1.00 0.00 H new ATOM 0 HB THR A 74 4.791 5.731 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.380 5.594 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.465 7.780 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.817 7.959 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.711 7.679 5.410 1.00 0.00 H new ATOM 1000 N ALA A 75 2.235 7.411 2.487 1.00 0.00 N ATOM 1001 CA ALA A 75 2.263 8.261 1.302 1.00 0.00 C ATOM 1002 C ALA A 75 3.155 9.479 1.522 1.00 0.00 C ATOM 1003 O ALA A 75 2.733 10.470 2.116 1.00 0.00 O ATOM 1004 CB ALA A 75 0.853 8.698 0.934 1.00 0.00 C ATOM 0 H ALA A 75 1.722 7.804 3.277 1.00 0.00 H new ATOM 0 HA ALA A 75 2.679 7.681 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.888 9.332 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.242 7.819 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.417 9.256 1.762 1.00 0.00 H new ATOM 1010 N ALA A 76 4.390 9.396 1.037 1.00 0.00 N ATOM 1011 CA ALA A 76 5.341 10.492 1.180 1.00 0.00 C ATOM 1012 C ALA A 76 4.776 11.787 0.608 1.00 0.00 C ATOM 1013 O ALA A 76 4.745 12.815 1.284 1.00 0.00 O ATOM 1014 CB ALA A 76 6.655 10.141 0.497 1.00 0.00 C ATOM 0 H ALA A 76 4.755 8.582 0.542 1.00 0.00 H new ATOM 0 HA ALA A 76 5.525 10.645 2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.356 10.967 0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.074 9.244 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.477 9.960 -0.563 1.00 0.00 H new ATOM 1020 N LYS A 77 4.327 11.732 -0.641 1.00 0.00 N ATOM 1021 CA LYS A 77 3.761 12.901 -1.305 1.00 0.00 C ATOM 1022 C LYS A 77 2.390 12.581 -1.892 1.00 0.00 C ATOM 1023 O LYS A 77 2.087 11.441 -2.241 1.00 0.00 O ATOM 1024 CB LYS A 77 4.700 13.390 -2.410 1.00 0.00 C ATOM 1025 CG LYS A 77 5.957 14.063 -1.887 1.00 0.00 C ATOM 1026 CD LYS A 77 7.019 14.178 -2.968 1.00 0.00 C ATOM 1027 CE LYS A 77 6.826 15.433 -3.805 1.00 0.00 C ATOM 1028 NZ LYS A 77 7.380 15.273 -5.179 1.00 0.00 N ATOM 0 H LYS A 77 4.344 10.889 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 77 3.644 13.690 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.985 12.543 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.162 14.090 -3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.710 15.056 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.353 13.494 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.007 14.194 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.981 13.300 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.764 15.669 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.312 16.276 -3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.229 16.149 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.399 15.073 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.899 14.485 -5.658 1.00 0.00 H new ATOM 1042 N PRO A 78 1.540 13.613 -2.007 1.00 0.00 N ATOM 1043 CA PRO A 78 0.188 13.468 -2.554 1.00 0.00 C ATOM 1044 C PRO A 78 0.196 13.182 -4.051 1.00 0.00 C ATOM 1045 O PRO A 78 1.183 13.443 -4.737 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.456 14.828 -2.272 1.00 0.00 C ATOM 1047 CG PRO A 78 0.687 15.779 -2.193 1.00 0.00 C ATOM 1048 CD PRO A 78 1.835 15.001 -1.611 1.00 0.00 C ATOM 0 HA PRO A 78 -0.345 12.628 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.151 15.109 -3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.023 14.812 -1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.940 16.168 -3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.439 16.636 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.792 15.338 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.885 15.108 -0.527 1.00 0.00 H new ATOM 1056 N GLY A 79 -0.912 12.643 -4.552 1.00 0.00 N ATOM 1057 CA GLY A 79 -1.010 12.331 -5.966 1.00 0.00 C ATOM 1058 C GLY A 79 -1.904 11.136 -6.234 1.00 0.00 C ATOM 1059 O GLY A 79 -2.915 10.942 -5.559 1.00 0.00 O ATOM 0 H GLY A 79 -1.742 12.417 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.398 13.198 -6.501 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.014 12.132 -6.361 1.00 0.00 H new ATOM 1063 N THR A 80 -1.533 10.333 -7.227 1.00 0.00 N ATOM 1064 CA THR A 80 -2.310 9.152 -7.585 1.00 0.00 C ATOM 1065 C THR A 80 -1.501 7.878 -7.376 1.00 0.00 C ATOM 1066 O THR A 80 -0.628 7.546 -8.178 1.00 0.00 O ATOM 1067 CB THR A 80 -2.781 9.215 -9.051 1.00 0.00 C ATOM 1068 OG1 THR A 80 -3.475 10.443 -9.291 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.690 8.040 -9.377 1.00 0.00 C ATOM 0 H THR A 80 -0.700 10.479 -7.797 1.00 0.00 H new ATOM 0 HA THR A 80 -3.182 9.135 -6.931 1.00 0.00 H new ATOM 0 HB THR A 80 -1.903 9.164 -9.694 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.058 10.644 -8.529 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.010 8.105 -10.417 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.148 7.107 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.564 8.065 -8.726 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.798 7.165 -6.295 1.00 0.00 N ATOM 1078 CA TYR A 81 -1.096 5.926 -5.981 1.00 0.00 C ATOM 1079 C TYR A 81 -1.844 4.720 -6.540 1.00 0.00 C ATOM 1080 O TYR A 81 -3.059 4.601 -6.384 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.930 5.780 -4.467 1.00 0.00 C ATOM 1082 CG TYR A 81 0.187 6.626 -3.896 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.141 8.013 -3.969 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.287 6.038 -3.285 1.00 0.00 C ATOM 1085 CE1 TYR A 81 1.159 8.789 -3.450 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.309 6.807 -2.762 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.241 8.181 -2.846 1.00 0.00 C ATOM 1088 OH TYR A 81 3.257 8.950 -2.328 1.00 0.00 O ATOM 0 H TYR A 81 -2.520 7.424 -5.622 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.111 5.968 -6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.866 6.052 -3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.739 4.733 -4.230 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.705 8.492 -4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.345 4.962 -3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.109 9.866 -3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.157 6.334 -2.290 1.00 0.00 H new ATOM 0 HH TYR A 81 2.931 9.861 -2.174 1.00 0.00 H new ATOM 1098 N VAL A 82 -1.107 3.825 -7.192 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.698 2.627 -7.774 1.00 0.00 C ATOM 1100 C VAL A 82 -1.206 1.371 -7.063 1.00 0.00 C ATOM 1101 O VAL A 82 -0.029 1.021 -7.144 1.00 0.00 O ATOM 1102 CB VAL A 82 -1.374 2.513 -9.275 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.656 1.105 -9.777 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -2.168 3.539 -10.069 1.00 0.00 C ATOM 0 H VAL A 82 -0.100 3.908 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.777 2.714 -7.649 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.313 2.718 -9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.421 1.044 -10.840 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.040 0.393 -9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.709 0.868 -9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.927 3.445 -11.128 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.234 3.367 -9.922 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.912 4.542 -9.726 1.00 0.00 H new ATOM 1114 N ILE A 83 -2.115 0.697 -6.366 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.774 -0.521 -5.642 1.00 0.00 C ATOM 1116 C ILE A 83 -2.100 -1.761 -6.467 1.00 0.00 C ATOM 1117 O ILE A 83 -3.246 -1.968 -6.870 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.518 -0.603 -4.297 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -2.170 0.603 -3.421 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -2.176 -1.901 -3.580 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -3.200 0.892 -2.353 1.00 0.00 C ATOM 0 H ILE A 83 -3.093 0.974 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.701 -0.485 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.590 -0.590 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.205 0.430 -2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.060 1.483 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.710 -1.944 -2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.470 -2.748 -4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.103 -1.942 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.887 1.759 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.162 1.097 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.294 0.028 -1.695 1.00 0.00 H new ATOM 1133 N TYR A 84 -1.087 -2.583 -6.714 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.265 -3.804 -7.492 1.00 0.00 C ATOM 1135 C TYR A 84 -1.385 -5.020 -6.579 1.00 0.00 C ATOM 1136 O TYR A 84 -0.425 -5.411 -5.917 1.00 0.00 O ATOM 1137 CB TYR A 84 -0.096 -3.993 -8.460 1.00 0.00 C ATOM 1138 CG TYR A 84 0.061 -2.861 -9.450 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -1.005 -2.452 -10.242 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.273 -2.198 -9.592 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -0.868 -1.419 -11.149 1.00 0.00 C ATOM 1142 CE2 TYR A 84 1.420 -1.163 -10.495 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.346 -0.777 -11.271 1.00 0.00 C ATOM 1144 OH TYR A 84 0.489 0.253 -12.172 1.00 0.00 O ATOM 0 H TYR A 84 -0.134 -2.427 -6.387 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.189 -3.708 -8.063 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.826 -4.094 -7.887 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.235 -4.926 -9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.958 -2.951 -10.147 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.115 -2.497 -8.986 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.707 -1.116 -11.759 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.370 -0.659 -10.593 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.360 0.399 -12.640 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.575 -5.614 -6.549 1.00 0.00 N ATOM 1155 CA VAL A 85 -2.822 -6.787 -5.718 1.00 0.00 C ATOM 1156 C VAL A 85 -3.221 -7.988 -6.569 1.00 0.00 C ATOM 1157 O VAL A 85 -3.959 -7.853 -7.545 1.00 0.00 O ATOM 1158 CB VAL A 85 -3.929 -6.517 -4.681 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.132 -7.731 -3.789 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -3.591 -5.286 -3.851 1.00 0.00 C ATOM 0 H VAL A 85 -3.382 -5.302 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.891 -7.007 -5.196 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.862 -6.326 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.918 -7.522 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.421 -8.587 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.204 -7.956 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.383 -5.109 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.648 -5.447 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.500 -4.419 -4.506 1.00 0.00 H new ATOM 1170 N ARG A 86 -2.728 -9.162 -6.191 1.00 0.00 N ATOM 1171 CA ARG A 86 -3.032 -10.388 -6.919 1.00 0.00 C ATOM 1172 C ARG A 86 -3.064 -11.587 -5.976 1.00 0.00 C ATOM 1173 O ARG A 86 -2.434 -11.576 -4.918 1.00 0.00 O ATOM 1174 CB ARG A 86 -1.997 -10.621 -8.022 1.00 0.00 C ATOM 1175 CG ARG A 86 -0.797 -11.436 -7.569 1.00 0.00 C ATOM 1176 CD ARG A 86 0.323 -11.395 -8.596 1.00 0.00 C ATOM 1177 NE ARG A 86 -0.150 -11.728 -9.937 1.00 0.00 N ATOM 1178 CZ ARG A 86 0.614 -11.669 -11.022 1.00 0.00 C ATOM 1179 NH1 ARG A 86 1.882 -11.292 -10.925 1.00 0.00 N ATOM 1180 NH2 ARG A 86 0.110 -11.988 -12.208 1.00 0.00 N ATOM 0 H ARG A 86 -2.116 -9.291 -5.385 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.017 -10.277 -7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.477 -11.131 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.651 -9.656 -8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.433 -11.051 -6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.100 -12.469 -7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.769 -10.401 -8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.107 -12.094 -8.305 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.121 -12.022 -10.046 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.273 -11.046 -10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.466 -11.248 -11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.865 -12.279 -12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.697 -11.942 -13.041 1.00 0.00 H new ATOM 1194 N PHE A 87 -3.803 -12.621 -6.367 1.00 0.00 N ATOM 1195 CA PHE A 87 -3.919 -13.827 -5.555 1.00 0.00 C ATOM 1196 C PHE A 87 -3.324 -15.030 -6.282 1.00 0.00 C ATOM 1197 O PHE A 87 -3.853 -15.479 -7.297 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.386 -14.098 -5.214 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.585 -15.303 -4.339 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -5.302 -15.248 -2.984 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -6.055 -16.493 -4.874 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -5.484 -16.356 -2.179 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -6.239 -17.604 -4.073 1.00 0.00 C ATOM 1204 CZ PHE A 87 -5.954 -17.535 -2.724 1.00 0.00 C ATOM 0 H PHE A 87 -4.330 -12.648 -7.240 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.361 -13.669 -4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.802 -13.223 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.947 -14.234 -6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.935 -14.329 -2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.280 -16.552 -5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.259 -16.300 -1.124 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.605 -18.525 -4.502 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.098 -18.402 -2.096 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.219 -15.547 -5.752 1.00 0.00 N ATOM 1215 CA GLY A 88 -1.569 -16.692 -6.363 1.00 0.00 C ATOM 1216 C GLY A 88 -1.061 -16.393 -7.758 1.00 0.00 C ATOM 1217 O GLY A 88 -0.694 -17.304 -8.501 1.00 0.00 O ATOM 0 H GLY A 88 -1.763 -15.193 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.736 -17.010 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.271 -17.525 -6.406 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.040 -15.114 -8.119 1.00 0.00 N ATOM 1222 CA GLY A 89 -0.573 -14.721 -9.436 1.00 0.00 C ATOM 1223 C GLY A 89 -1.700 -14.249 -10.333 1.00 0.00 C ATOM 1224 O GLY A 89 -1.533 -14.147 -11.549 1.00 0.00 O ATOM 0 H GLY A 89 -1.338 -14.342 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.164 -13.925 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.068 -15.565 -9.906 1.00 0.00 H new ATOM 1228 N VAL A 90 -2.851 -13.962 -9.734 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.010 -13.499 -10.489 1.00 0.00 C ATOM 1230 C VAL A 90 -4.424 -12.097 -10.054 1.00 0.00 C ATOM 1231 O VAL A 90 -4.885 -11.896 -8.930 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.207 -14.453 -10.318 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -6.338 -14.063 -11.259 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -4.779 -15.892 -10.553 1.00 0.00 C ATOM 0 H VAL A 90 -3.006 -14.042 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.718 -13.479 -11.539 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.573 -14.370 -9.294 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.175 -14.748 -11.125 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.662 -13.046 -11.037 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.988 -14.116 -12.290 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.637 -16.552 -10.428 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.387 -15.994 -11.565 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.005 -16.163 -9.835 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.257 -11.133 -10.951 1.00 0.00 N ATOM 1245 CA ASP A 91 -4.615 -9.749 -10.661 1.00 0.00 C ATOM 1246 C ASP A 91 -6.119 -9.611 -10.440 1.00 0.00 C ATOM 1247 O ASP A 91 -6.884 -9.454 -11.391 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.170 -8.835 -11.804 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.391 -7.368 -11.490 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.519 -6.763 -10.831 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -5.436 -6.824 -11.905 1.00 0.00 O ATOM 0 H ASP A 91 -3.876 -11.283 -11.885 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.102 -9.451 -9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.113 -9.004 -12.011 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.718 -9.097 -12.709 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.534 -9.673 -9.179 1.00 0.00 N ATOM 1257 CA ILE A 92 -7.945 -9.555 -8.834 1.00 0.00 C ATOM 1258 C ILE A 92 -8.651 -8.551 -9.738 1.00 0.00 C ATOM 1259 O ILE A 92 -8.034 -7.652 -10.310 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.131 -9.126 -7.366 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.139 -8.019 -7.005 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -7.961 -10.321 -6.440 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.076 -7.723 -5.524 1.00 0.00 C ATOM 0 H ILE A 92 -5.913 -9.804 -8.380 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.388 -10.541 -8.976 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.141 -8.736 -7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.146 -8.305 -7.353 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.414 -7.109 -7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.095 -10.002 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.704 -11.080 -6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.962 -10.738 -6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.352 -6.928 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.059 -7.406 -5.174 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.771 -8.621 -4.986 1.00 0.00 H new ATOM 1275 N PRO A 93 -9.977 -8.704 -9.872 1.00 0.00 N ATOM 1276 CA PRO A 93 -10.796 -7.819 -10.704 1.00 0.00 C ATOM 1277 C PRO A 93 -10.919 -6.418 -10.115 1.00 0.00 C ATOM 1278 O PRO A 93 -11.621 -5.566 -10.656 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.161 -8.513 -10.724 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.195 -9.317 -9.470 1.00 0.00 C ATOM 1281 CD PRO A 93 -10.778 -9.754 -9.220 1.00 0.00 C ATOM 0 HA PRO A 93 -10.362 -7.674 -11.693 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.974 -7.787 -10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.270 -9.147 -11.604 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.574 -8.725 -8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.856 -10.177 -9.576 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.561 -9.822 -8.154 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.579 -10.736 -9.649 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.232 -6.188 -9.000 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.265 -4.890 -8.336 1.00 0.00 C ATOM 1291 C ASN A 94 -8.951 -4.142 -8.539 1.00 0.00 C ATOM 1292 O ASN A 94 -8.850 -2.951 -8.240 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.539 -5.065 -6.841 1.00 0.00 C ATOM 1294 CG ASN A 94 -11.943 -5.567 -6.566 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -12.262 -6.748 -7.080 1.00 0.00 O flip ATOM 1296 ND2 ASN A 94 -12.732 -4.898 -5.897 1.00 0.00 N flip ATOM 0 H ASN A 94 -9.646 -6.883 -8.538 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.069 -4.303 -8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.817 -5.765 -6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.391 -4.112 -6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.444 -3.995 -5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.674 -5.247 -5.719 1.00 0.00 H new ATOM 1303 N SER A 95 -7.947 -4.848 -9.050 1.00 0.00 N ATOM 1304 CA SER A 95 -6.638 -4.252 -9.291 1.00 0.00 C ATOM 1305 C SER A 95 -6.534 -3.728 -10.721 1.00 0.00 C ATOM 1306 O SER A 95 -7.053 -4.322 -11.666 1.00 0.00 O ATOM 1307 CB SER A 95 -5.532 -5.275 -9.029 1.00 0.00 C ATOM 1308 OG SER A 95 -4.357 -4.645 -8.549 1.00 0.00 O ATOM 0 H SER A 95 -8.015 -5.833 -9.305 1.00 0.00 H new ATOM 0 HA SER A 95 -6.517 -3.413 -8.606 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.877 -6.010 -8.302 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.308 -5.817 -9.948 1.00 0.00 H new ATOM 0 HG SER A 95 -3.571 -5.069 -8.951 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.847 -2.588 -10.884 1.00 0.00 N ATOM 1315 CA PRO A 96 -5.225 -1.872 -9.767 1.00 0.00 C ATOM 1316 C PRO A 96 -6.256 -1.233 -8.842 1.00 0.00 C ATOM 1317 O PRO A 96 -7.451 -1.223 -9.141 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.387 -0.794 -10.459 1.00 0.00 C ATOM 1319 CG PRO A 96 -5.058 -0.577 -11.770 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.624 -1.911 -12.172 1.00 0.00 C ATOM 0 HA PRO A 96 -4.645 -2.538 -9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.359 0.124 -9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.355 -1.119 -10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.846 0.172 -11.686 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.350 -0.213 -12.515 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.551 -1.801 -12.734 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.932 -2.467 -12.804 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.787 -0.699 -7.719 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.669 -0.058 -6.751 1.00 0.00 C ATOM 1330 C PHE A 97 -6.423 1.447 -6.703 1.00 0.00 C ATOM 1331 O PHE A 97 -5.447 1.911 -6.114 1.00 0.00 O ATOM 1332 CB PHE A 97 -6.461 -0.664 -5.361 1.00 0.00 C ATOM 1333 CG PHE A 97 -7.258 -1.915 -5.126 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -7.036 -3.047 -5.892 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -8.230 -1.958 -4.140 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -7.768 -4.200 -5.679 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.965 -3.108 -3.921 1.00 0.00 C ATOM 1338 CZ PHE A 97 -8.734 -4.230 -4.693 1.00 0.00 C ATOM 0 H PHE A 97 -4.801 -0.698 -7.457 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.698 -0.230 -7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.403 -0.886 -5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.730 0.076 -4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.282 -3.029 -6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.416 -1.083 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.585 -5.076 -6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.719 -3.129 -3.148 1.00 0.00 H new ATOM 0 HZ PHE A 97 -9.308 -5.129 -4.526 1.00 0.00 H new ATOM 1348 N THR A 98 -7.315 2.206 -7.332 1.00 0.00 N ATOM 1349 CA THR A 98 -7.196 3.658 -7.365 1.00 0.00 C ATOM 1350 C THR A 98 -7.204 4.242 -5.956 1.00 0.00 C ATOM 1351 O THR A 98 -8.170 4.078 -5.211 1.00 0.00 O ATOM 1352 CB THR A 98 -8.337 4.297 -8.180 1.00 0.00 C ATOM 1353 OG1 THR A 98 -8.419 3.684 -9.472 1.00 0.00 O ATOM 1354 CG2 THR A 98 -8.115 5.795 -8.337 1.00 0.00 C ATOM 0 H THR A 98 -8.128 1.838 -7.826 1.00 0.00 H new ATOM 0 HA THR A 98 -6.245 3.887 -7.845 1.00 0.00 H new ATOM 0 HB THR A 98 -9.272 4.138 -7.643 1.00 0.00 H new ATOM 0 HG1 THR A 98 -9.148 4.094 -9.983 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.932 6.225 -8.916 1.00 0.00 H new ATOM 0 HG22 THR A 98 -8.081 6.263 -7.353 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.172 5.971 -8.855 1.00 0.00 H new ATOM 1362 N VAL A 99 -6.121 4.926 -5.599 1.00 0.00 N ATOM 1363 CA VAL A 99 -6.005 5.537 -4.280 1.00 0.00 C ATOM 1364 C VAL A 99 -5.468 6.961 -4.379 1.00 0.00 C ATOM 1365 O VAL A 99 -4.299 7.173 -4.696 1.00 0.00 O ATOM 1366 CB VAL A 99 -5.081 4.715 -3.361 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -4.940 5.389 -2.005 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.608 3.296 -3.208 1.00 0.00 C ATOM 0 H VAL A 99 -5.313 5.071 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.007 5.559 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.093 4.664 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.284 4.794 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.514 6.384 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.921 5.473 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.943 2.729 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.607 3.324 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.652 2.817 -4.186 1.00 0.00 H new ATOM 1378 N MET A 100 -6.332 7.932 -4.105 1.00 0.00 N ATOM 1379 CA MET A 100 -5.945 9.337 -4.163 1.00 0.00 C ATOM 1380 C MET A 100 -5.478 9.827 -2.796 1.00 0.00 C ATOM 1381 O MET A 100 -6.258 9.880 -1.845 1.00 0.00 O ATOM 1382 CB MET A 100 -7.116 10.191 -4.651 1.00 0.00 C ATOM 1383 CG MET A 100 -6.695 11.554 -5.177 1.00 0.00 C ATOM 1384 SD MET A 100 -5.684 11.443 -6.666 1.00 0.00 S ATOM 1385 CE MET A 100 -6.915 10.972 -7.877 1.00 0.00 C ATOM 0 H MET A 100 -7.304 7.772 -3.841 1.00 0.00 H new ATOM 0 HA MET A 100 -5.118 9.432 -4.867 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.644 9.654 -5.439 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.821 10.329 -3.831 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.584 12.147 -5.390 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.138 12.081 -4.403 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.502 11.087 -8.879 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.201 9.932 -7.720 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.793 11.610 -7.771 1.00 0.00 H new ATOM 1395 N ALA A 101 -4.201 10.186 -2.705 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.632 10.674 -1.455 1.00 0.00 C ATOM 1397 C ALA A 101 -3.647 12.197 -1.403 1.00 0.00 C ATOM 1398 O ALA A 101 -2.961 12.863 -2.180 1.00 0.00 O ATOM 1399 CB ALA A 101 -2.213 10.152 -1.283 1.00 0.00 C ATOM 0 H ALA A 101 -3.542 10.148 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.246 10.303 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.800 10.524 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.226 9.062 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.596 10.495 -2.113 1.00 0.00 H new ATOM 1405 N THR A 102 -4.434 12.746 -0.483 1.00 0.00 N ATOM 1406 CA THR A 102 -4.539 14.191 -0.331 1.00 0.00 C ATOM 1407 C THR A 102 -3.595 14.701 0.752 1.00 0.00 C ATOM 1408 O THR A 102 -3.371 14.031 1.760 1.00 0.00 O ATOM 1409 CB THR A 102 -5.978 14.616 0.019 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.470 13.828 1.109 1.00 0.00 O ATOM 1411 CG2 THR A 102 -6.896 14.456 -1.184 1.00 0.00 C ATOM 0 H THR A 102 -5.008 12.211 0.168 1.00 0.00 H new ATOM 0 HA THR A 102 -4.260 14.630 -1.289 1.00 0.00 H new ATOM 0 HB THR A 102 -5.964 15.667 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.384 14.105 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.907 14.762 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.535 15.079 -2.002 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.905 13.412 -1.499 1.00 0.00 H new ATOM 1419 N ASP A 103 -3.044 15.891 0.538 1.00 0.00 N ATOM 1420 CA ASP A 103 -2.124 16.492 1.496 1.00 0.00 C ATOM 1421 C ASP A 103 -2.842 16.831 2.799 1.00 0.00 C ATOM 1422 O ASP A 103 -2.248 16.791 3.876 1.00 0.00 O ATOM 1423 CB ASP A 103 -1.490 17.752 0.907 1.00 0.00 C ATOM 1424 CG ASP A 103 -0.115 18.031 1.481 1.00 0.00 C ATOM 1425 OD1 ASP A 103 -0.028 18.345 2.686 1.00 0.00 O ATOM 1426 OD2 ASP A 103 0.875 17.937 0.724 1.00 0.00 O ATOM 0 H ASP A 103 -3.219 16.459 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.339 15.767 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -1.414 17.645 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -2.140 18.606 1.098 1.00 0.00 H new ATOM 1431 N GLY A 104 -4.125 17.164 2.693 1.00 0.00 N ATOM 1432 CA GLY A 104 -4.903 17.507 3.869 1.00 0.00 C ATOM 1433 C GLY A 104 -4.544 18.871 4.425 1.00 0.00 C ATOM 1434 O GLY A 104 -3.727 19.587 3.847 1.00 0.00 O ATOM 0 H GLY A 104 -4.640 17.202 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.963 17.488 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.745 16.751 4.638 1.00 0.00 H new ATOM 1438 N GLU A 105 -5.157 19.231 5.547 1.00 0.00 N ATOM 1439 CA GLU A 105 -4.901 20.520 6.178 1.00 0.00 C ATOM 1440 C GLU A 105 -3.519 20.542 6.827 1.00 0.00 C ATOM 1441 O GLU A 105 -2.968 19.498 7.176 1.00 0.00 O ATOM 1442 CB GLU A 105 -5.972 20.823 7.227 1.00 0.00 C ATOM 1443 CG GLU A 105 -6.088 19.759 8.305 1.00 0.00 C ATOM 1444 CD GLU A 105 -7.102 20.118 9.374 1.00 0.00 C ATOM 1445 OE1 GLU A 105 -6.781 20.963 10.236 1.00 0.00 O ATOM 1446 OE2 GLU A 105 -8.216 19.554 9.349 1.00 0.00 O ATOM 0 H GLU A 105 -5.835 18.648 6.038 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.934 21.287 5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.748 21.781 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.936 20.930 6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.370 18.812 7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.113 19.610 8.770 1.00 0.00 H new ATOM 1453 N VAL A 106 -2.964 21.740 6.984 1.00 0.00 N ATOM 1454 CA VAL A 106 -1.648 21.900 7.590 1.00 0.00 C ATOM 1455 C VAL A 106 -1.552 23.213 8.358 1.00 0.00 C ATOM 1456 O VAL A 106 -2.137 24.221 7.964 1.00 0.00 O ATOM 1457 CB VAL A 106 -0.532 21.857 6.528 1.00 0.00 C ATOM 1458 CG1 VAL A 106 -0.702 22.990 5.528 1.00 0.00 C ATOM 1459 CG2 VAL A 106 0.835 21.920 7.191 1.00 0.00 C ATOM 0 H VAL A 106 -3.406 22.614 6.700 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.515 21.068 8.281 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.605 20.914 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.095 22.943 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.667 22.894 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.656 23.946 6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.612 21.889 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.922 22.846 7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.953 21.070 7.863 1.00 0.00 H new ATOM 1469 N THR A 107 -0.809 23.194 9.461 1.00 0.00 N ATOM 1470 CA THR A 107 -0.636 24.382 10.286 1.00 0.00 C ATOM 1471 C THR A 107 0.690 24.343 11.037 1.00 0.00 C ATOM 1472 O THR A 107 0.871 23.546 11.957 1.00 0.00 O ATOM 1473 CB THR A 107 -1.783 24.531 11.304 1.00 0.00 C ATOM 1474 OG1 THR A 107 -1.620 25.739 12.054 1.00 0.00 O ATOM 1475 CG2 THR A 107 -1.824 23.341 12.251 1.00 0.00 C ATOM 0 H THR A 107 -0.318 22.368 9.803 1.00 0.00 H new ATOM 0 HA THR A 107 -0.644 25.238 9.611 1.00 0.00 H new ATOM 0 HB THR A 107 -2.723 24.570 10.754 1.00 0.00 H new ATOM 0 HG1 THR A 107 -2.354 25.826 12.697 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.642 23.469 12.960 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.979 22.426 11.679 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.881 23.275 12.793 1.00 0.00 H new ATOM 1483 N ALA A 108 1.616 25.209 10.637 1.00 0.00 N ATOM 1484 CA ALA A 108 2.925 25.274 11.274 1.00 0.00 C ATOM 1485 C ALA A 108 2.797 25.294 12.793 1.00 0.00 C ATOM 1486 O ALA A 108 1.736 25.607 13.333 1.00 0.00 O ATOM 1487 CB ALA A 108 3.686 26.501 10.791 1.00 0.00 C ATOM 0 H ALA A 108 1.484 25.874 9.875 1.00 0.00 H new ATOM 0 HA ALA A 108 3.482 24.380 10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.662 26.537 11.275 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.818 26.445 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.123 27.400 11.042 1.00 0.00 H new ATOM 1493 N VAL A 109 3.884 24.954 13.478 1.00 0.00 N ATOM 1494 CA VAL A 109 3.894 24.932 14.936 1.00 0.00 C ATOM 1495 C VAL A 109 4.306 26.286 15.504 1.00 0.00 C ATOM 1496 O VAL A 109 5.008 27.056 14.849 1.00 0.00 O ATOM 1497 CB VAL A 109 4.847 23.849 15.475 1.00 0.00 C ATOM 1498 CG1 VAL A 109 4.359 22.464 15.081 1.00 0.00 C ATOM 1499 CG2 VAL A 109 6.263 24.089 14.972 1.00 0.00 C ATOM 0 H VAL A 109 4.770 24.690 13.046 1.00 0.00 H new ATOM 0 HA VAL A 109 2.878 24.702 15.256 1.00 0.00 H new ATOM 0 HB VAL A 109 4.858 23.907 16.563 1.00 0.00 H new ATOM 0 HG11 VAL A 109 5.045 21.712 15.471 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.365 22.297 15.495 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.317 22.388 13.994 1.00 0.00 H new ATOM 0 HG21 VAL A 109 6.924 23.315 15.362 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.272 24.059 13.882 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.609 25.066 15.311 1.00 0.00 H new ATOM 1509 N GLU A 110 3.865 26.569 16.726 1.00 0.00 N ATOM 1510 CA GLU A 110 4.189 27.831 17.381 1.00 0.00 C ATOM 1511 C GLU A 110 5.700 28.022 17.475 1.00 0.00 C ATOM 1512 O GLU A 110 6.414 27.162 17.987 1.00 0.00 O ATOM 1513 CB GLU A 110 3.570 27.878 18.779 1.00 0.00 C ATOM 1514 CG GLU A 110 3.919 26.677 19.640 1.00 0.00 C ATOM 1515 CD GLU A 110 3.547 26.874 21.097 1.00 0.00 C ATOM 1516 OE1 GLU A 110 3.869 27.947 21.650 1.00 0.00 O ATOM 1517 OE2 GLU A 110 2.933 25.958 21.683 1.00 0.00 O ATOM 0 H GLU A 110 3.283 25.942 17.282 1.00 0.00 H new ATOM 0 HA GLU A 110 3.774 28.641 16.780 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.902 28.785 19.284 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.486 27.944 18.685 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.405 25.797 19.254 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.989 26.480 19.566 1.00 0.00 H new ATOM 1524 N GLU A 111 6.179 29.158 16.975 1.00 0.00 N ATOM 1525 CA GLU A 111 7.604 29.462 17.001 1.00 0.00 C ATOM 1526 C GLU A 111 7.867 30.881 16.506 1.00 0.00 C ATOM 1527 O GLU A 111 7.010 31.498 15.874 1.00 0.00 O ATOM 1528 CB GLU A 111 8.379 28.459 16.144 1.00 0.00 C ATOM 1529 CG GLU A 111 8.291 28.737 14.652 1.00 0.00 C ATOM 1530 CD GLU A 111 8.944 27.653 13.817 1.00 0.00 C ATOM 1531 OE1 GLU A 111 10.169 27.736 13.591 1.00 0.00 O ATOM 1532 OE2 GLU A 111 8.229 26.722 13.390 1.00 0.00 O ATOM 0 H GLU A 111 5.601 29.882 16.548 1.00 0.00 H new ATOM 0 HA GLU A 111 7.946 29.387 18.033 1.00 0.00 H new ATOM 0 HB2 GLU A 111 9.426 28.469 16.446 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.000 27.456 16.341 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.244 28.830 14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 111 8.767 29.693 14.436 1.00 0.00 H new ATOM 1539 N ALA A 112 9.059 31.392 16.797 1.00 0.00 N ATOM 1540 CA ALA A 112 9.436 32.737 16.380 1.00 0.00 C ATOM 1541 C ALA A 112 10.643 32.705 15.449 1.00 0.00 C ATOM 1542 O ALA A 112 11.589 31.942 15.645 1.00 0.00 O ATOM 1543 CB ALA A 112 9.728 33.604 17.595 1.00 0.00 C ATOM 0 H ALA A 112 9.780 30.895 17.320 1.00 0.00 H new ATOM 0 HA ALA A 112 8.598 33.169 15.832 1.00 0.00 H new ATOM 0 HB1 ALA A 112 10.008 34.605 17.268 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.839 33.662 18.222 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.547 33.166 18.166 1.00 0.00 H new ATOM 1549 N PRO A 113 10.613 33.552 14.409 1.00 0.00 N ATOM 1550 CA PRO A 113 11.697 33.639 13.427 1.00 0.00 C ATOM 1551 C PRO A 113 12.963 34.252 14.014 1.00 0.00 C ATOM 1552 O PRO A 113 12.939 35.363 14.545 1.00 0.00 O ATOM 1553 CB PRO A 113 11.118 34.547 12.339 1.00 0.00 C ATOM 1554 CG PRO A 113 10.093 35.371 13.039 1.00 0.00 C ATOM 1555 CD PRO A 113 9.516 34.490 14.113 1.00 0.00 C ATOM 0 HA PRO A 113 11.999 32.656 13.065 1.00 0.00 H new ATOM 0 HB2 PRO A 113 11.891 35.172 11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.674 33.964 11.532 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.540 36.268 13.468 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.318 35.701 12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.230 35.065 14.994 1.00 0.00 H new ATOM 0 HD3 PRO A 113 8.623 33.969 13.769 1.00 0.00 H new ATOM 1563 N VAL A 114 14.070 33.522 13.915 1.00 0.00 N ATOM 1564 CA VAL A 114 15.347 33.994 14.435 1.00 0.00 C ATOM 1565 C VAL A 114 15.528 35.486 14.175 1.00 0.00 C ATOM 1566 O VAL A 114 15.348 35.957 13.053 1.00 0.00 O ATOM 1567 CB VAL A 114 16.527 33.228 13.808 1.00 0.00 C ATOM 1568 CG1 VAL A 114 17.852 33.822 14.263 1.00 0.00 C ATOM 1569 CG2 VAL A 114 16.448 31.750 14.158 1.00 0.00 C ATOM 0 H VAL A 114 14.107 32.601 13.479 1.00 0.00 H new ATOM 0 HA VAL A 114 15.337 33.813 15.510 1.00 0.00 H new ATOM 0 HB VAL A 114 16.466 33.325 12.724 1.00 0.00 H new ATOM 0 HG11 VAL A 114 18.674 33.268 13.810 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.907 34.867 13.957 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.926 33.758 15.349 1.00 0.00 H new ATOM 0 HG21 VAL A 114 17.289 31.224 13.707 1.00 0.00 H new ATOM 0 HG22 VAL A 114 16.483 31.630 15.241 1.00 0.00 H new ATOM 0 HG23 VAL A 114 15.515 31.335 13.777 1.00 0.00 H new ATOM 1579 N ASN A 115 15.887 36.224 15.221 1.00 0.00 N ATOM 1580 CA ASN A 115 16.092 37.663 15.105 1.00 0.00 C ATOM 1581 C ASN A 115 17.566 38.017 15.278 1.00 0.00 C ATOM 1582 O ASN A 115 18.091 38.011 16.391 1.00 0.00 O ATOM 1583 CB ASN A 115 15.253 38.405 16.148 1.00 0.00 C ATOM 1584 CG ASN A 115 15.712 38.124 17.565 1.00 0.00 C ATOM 1585 OD1 ASN A 115 16.110 37.005 17.891 1.00 0.00 O ATOM 1586 ND2 ASN A 115 15.659 39.141 18.417 1.00 0.00 N ATOM 0 H ASN A 115 16.042 35.850 16.157 1.00 0.00 H new ATOM 0 HA ASN A 115 15.776 37.971 14.108 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.306 39.477 15.958 1.00 0.00 H new ATOM 0 HB3 ASN A 115 14.208 38.114 16.043 1.00 0.00 H new ATOM 0 HD21 ASN A 115 15.955 39.012 19.385 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.322 40.052 18.104 1.00 0.00 H new ATOM 1593 N ALA A 116 18.229 38.327 14.167 1.00 0.00 N ATOM 1594 CA ALA A 116 19.641 38.686 14.196 1.00 0.00 C ATOM 1595 C ALA A 116 20.094 39.242 12.850 1.00 0.00 C ATOM 1596 O ALA A 116 20.020 38.556 11.829 1.00 0.00 O ATOM 1597 CB ALA A 116 20.485 37.481 14.582 1.00 0.00 C ATOM 0 H ALA A 116 17.810 38.336 13.237 1.00 0.00 H new ATOM 0 HA ALA A 116 19.776 39.465 14.946 1.00 0.00 H new ATOM 0 HB1 ALA A 116 21.537 37.764 14.599 1.00 0.00 H new ATOM 0 HB2 ALA A 116 20.187 37.130 15.570 1.00 0.00 H new ATOM 0 HB3 ALA A 116 20.336 36.684 13.854 1.00 0.00 H new ATOM 1603 N CYS A 117 20.560 40.485 12.854 1.00 0.00 N ATOM 1604 CA CYS A 117 21.023 41.133 11.633 1.00 0.00 C ATOM 1605 C CYS A 117 22.494 40.822 11.376 1.00 0.00 C ATOM 1606 O CYS A 117 23.355 41.025 12.232 1.00 0.00 O ATOM 1607 CB CYS A 117 20.817 42.645 11.723 1.00 0.00 C ATOM 1608 SG CYS A 117 21.654 43.421 13.126 1.00 0.00 S ATOM 0 H CYS A 117 20.627 41.065 13.690 1.00 0.00 H new ATOM 0 HA CYS A 117 20.437 40.743 10.800 1.00 0.00 H new ATOM 0 HB2 CYS A 117 21.173 43.105 10.801 1.00 0.00 H new ATOM 0 HB3 CYS A 117 19.749 42.852 11.791 1.00 0.00 H new ATOM 0 HG CYS A 117 22.736 42.758 13.407 1.00 0.00 H new ATOM 1614 N PRO A 118 22.790 40.316 10.170 1.00 0.00 N ATOM 1615 CA PRO A 118 24.157 39.964 9.772 1.00 0.00 C ATOM 1616 C PRO A 118 25.040 41.193 9.583 1.00 0.00 C ATOM 1617 O PRO A 118 24.641 42.312 9.908 1.00 0.00 O ATOM 1618 CB PRO A 118 23.963 39.235 8.441 1.00 0.00 C ATOM 1619 CG PRO A 118 22.678 39.763 7.903 1.00 0.00 C ATOM 1620 CD PRO A 118 21.814 40.048 9.099 1.00 0.00 C ATOM 0 HA PRO A 118 24.661 39.366 10.531 1.00 0.00 H new ATOM 0 HB2 PRO A 118 24.789 39.432 7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 118 23.918 38.155 8.584 1.00 0.00 H new ATOM 0 HG2 PRO A 118 22.843 40.667 7.316 1.00 0.00 H new ATOM 0 HG3 PRO A 118 22.204 39.037 7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 118 21.160 40.903 8.928 1.00 0.00 H new ATOM 0 HD3 PRO A 118 21.173 39.201 9.343 1.00 0.00 H new ATOM 1628 N SER A 119 26.240 40.978 9.053 1.00 0.00 N ATOM 1629 CA SER A 119 27.180 42.069 8.823 1.00 0.00 C ATOM 1630 C SER A 119 28.058 41.782 7.608 1.00 0.00 C ATOM 1631 O SER A 119 28.463 40.644 7.375 1.00 0.00 O ATOM 1632 CB SER A 119 28.056 42.285 10.059 1.00 0.00 C ATOM 1633 OG SER A 119 28.954 41.205 10.242 1.00 0.00 O ATOM 0 H SER A 119 26.584 40.059 8.775 1.00 0.00 H new ATOM 0 HA SER A 119 26.606 42.975 8.630 1.00 0.00 H new ATOM 0 HB2 SER A 119 28.616 43.214 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 119 27.425 42.391 10.942 1.00 0.00 H new ATOM 0 HG SER A 119 29.504 41.368 11.037 1.00 0.00 H new ATOM 1639 N GLY A 120 28.347 42.824 6.836 1.00 0.00 N ATOM 1640 CA GLY A 120 29.174 42.665 5.654 1.00 0.00 C ATOM 1641 C GLY A 120 30.153 43.809 5.473 1.00 0.00 C ATOM 1642 O GLY A 120 29.865 44.959 5.803 1.00 0.00 O ATOM 0 H GLY A 120 28.023 43.776 7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 120 29.725 41.727 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 120 28.535 42.595 4.774 1.00 0.00 H new ATOM 1646 N PRO A 121 31.342 43.495 4.938 1.00 0.00 N ATOM 1647 CA PRO A 121 32.391 44.492 4.702 1.00 0.00 C ATOM 1648 C PRO A 121 32.032 45.459 3.580 1.00 0.00 C ATOM 1649 O PRO A 121 30.934 45.402 3.027 1.00 0.00 O ATOM 1650 CB PRO A 121 33.604 43.644 4.309 1.00 0.00 C ATOM 1651 CG PRO A 121 33.025 42.389 3.754 1.00 0.00 C ATOM 1652 CD PRO A 121 31.754 42.144 4.520 1.00 0.00 C ATOM 0 HA PRO A 121 32.558 45.122 5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 121 34.222 44.155 3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 121 34.240 43.440 5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 121 32.824 42.490 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 121 33.717 41.555 3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 121 30.996 41.667 3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 121 31.921 41.491 5.377 1.00 0.00 H new ATOM 1660 N SER A 122 32.963 46.347 3.248 1.00 0.00 N ATOM 1661 CA SER A 122 32.743 47.329 2.194 1.00 0.00 C ATOM 1662 C SER A 122 34.008 48.140 1.932 1.00 0.00 C ATOM 1663 O SER A 122 34.654 48.620 2.863 1.00 0.00 O ATOM 1664 CB SER A 122 31.593 48.265 2.571 1.00 0.00 C ATOM 1665 OG SER A 122 31.280 49.146 1.506 1.00 0.00 O ATOM 0 H SER A 122 33.878 46.406 3.695 1.00 0.00 H new ATOM 0 HA SER A 122 32.482 46.792 1.282 1.00 0.00 H new ATOM 0 HB2 SER A 122 30.713 47.677 2.831 1.00 0.00 H new ATOM 0 HB3 SER A 122 31.864 48.841 3.455 1.00 0.00 H new ATOM 0 HG SER A 122 30.541 49.732 1.773 1.00 0.00 H new ATOM 1671 N SER A 123 34.357 48.287 0.658 1.00 0.00 N ATOM 1672 CA SER A 123 35.547 49.036 0.272 1.00 0.00 C ATOM 1673 C SER A 123 35.470 50.475 0.776 1.00 0.00 C ATOM 1674 O SER A 123 36.333 50.929 1.526 1.00 0.00 O ATOM 1675 CB SER A 123 35.713 49.024 -1.248 1.00 0.00 C ATOM 1676 OG SER A 123 37.077 49.144 -1.613 1.00 0.00 O ATOM 0 H SER A 123 33.832 47.897 -0.125 1.00 0.00 H new ATOM 0 HA SER A 123 36.413 48.555 0.728 1.00 0.00 H new ATOM 0 HB2 SER A 123 35.305 48.099 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 123 35.143 49.843 -1.686 1.00 0.00 H new ATOM 0 HG SER A 123 37.157 49.132 -2.590 1.00 0.00 H new ATOM 1682 N GLY A 124 34.429 51.187 0.354 1.00 0.00 N ATOM 1683 CA GLY A 124 34.258 52.567 0.770 1.00 0.00 C ATOM 1684 C GLY A 124 33.971 52.693 2.254 1.00 0.00 C ATOM 1685 O GLY A 124 34.870 52.550 3.081 1.00 0.00 O ATOM 0 H GLY A 124 33.702 50.833 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 124 35.159 53.131 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 124 33.440 53.015 0.205 1.00 0.00 H new TER 1689 GLY A 124