USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 817 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 4 HIS : no HE2:sc= 0.602 K(o=1.8,f=-2.1) USER MOD Set 1.2: A 20 TYR OH : rot 6:sc= 1.18 USER MOD Set 2.1: A 1 MET N :NH3+ 168:sc= 1.09 (180deg=0.444) USER MOD Set 2.2: A 19 GLN : amide:sc= -0.999 K(o=0.094,f=-0.89) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0787 X(o=-0.079,f=0.005) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -1.89 F(o=-7.8!,f=-1.9) USER MOD Single : A 18 SER OG : rot 72:sc= 0.688 USER MOD Single : A 21 ASN : amide:sc= -1.29! C(o=-1.3!,f=-5.3!) USER MOD Single : A 23 THR OG1 : rot -41:sc= 0.561 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0331) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 103:sc= 1.91 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00527 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 19:sc= 0.139 USER MOD Single : A 55 MET CE :methyl -171:sc=-0.000454 (180deg=-0.136) USER MOD Single : A 59 LYS NZ :NH3+ 154:sc= 1.07 (180deg=-0.449!) USER MOD Single : A 62 SER OG : rot 168:sc= 0.714 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= 1.17 (180deg=1.01) USER MOD Single : A 68 MET CE :methyl 143:sc= -0.0659 (180deg=-0.625) USER MOD Single : A 69 SER OG : rot 149:sc= 1.23 USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= 0.395 (180deg=0.234) USER MOD Single : A 71 ASN : amide:sc= -1.79 X(o=-1.8,f=-1.8) USER MOD Single : A 76 SER OG : rot 180:sc= -0.277 USER MOD Single : A 78 SER OG : rot 180:sc= 0.548 USER MOD Single : A 83 THR OG1 : rot 43:sc= 0.0688 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 1.03 K(o=1,f=-0.1) USER MOD Single : A 89 THR OG1 : rot 73:sc= 0.756 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0466 F(o=-2.7!,f=-0.047) USER MOD Single : A 95 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= 0.19 (180deg=0.108) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= -0.0372 (180deg=-0.238) USER MOD Single : A 101 TYR OH : rot 150:sc= -0.638 USER MOD Single : A 109 SER OG : rot 43:sc= 0.617 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.319 -7.220 -7.461 1.00 0.00 N ATOM 2 CA MET A 1 -14.583 -7.336 -6.026 1.00 0.00 C ATOM 3 C MET A 1 -14.212 -6.031 -5.348 1.00 0.00 C ATOM 4 O MET A 1 -13.679 -5.132 -5.992 1.00 0.00 O ATOM 5 CB MET A 1 -13.780 -8.498 -5.404 1.00 0.00 C ATOM 6 CG MET A 1 -14.128 -9.900 -5.904 1.00 0.00 C ATOM 7 SD MET A 1 -13.835 -10.130 -7.670 1.00 0.00 S ATOM 8 CE MET A 1 -14.242 -11.862 -7.858 1.00 0.00 C ATOM 0 H1 MET A 1 -14.375 -8.161 -7.901 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.026 -6.592 -7.894 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.368 -6.825 -7.608 1.00 0.00 H new ATOM 0 HA MET A 1 -15.643 -7.545 -5.880 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.721 -8.321 -5.590 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.923 -8.474 -4.324 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.541 -10.631 -5.348 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.177 -10.104 -5.689 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.110 -12.156 -8.899 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.586 -12.461 -7.226 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.279 -12.026 -7.563 1.00 0.00 H new ATOM 20 N GLY A 2 -14.491 -5.917 -4.067 1.00 0.00 N ATOM 21 CA GLY A 2 -14.120 -4.727 -3.343 1.00 0.00 C ATOM 22 C GLY A 2 -15.300 -4.105 -2.648 1.00 0.00 C ATOM 23 O GLY A 2 -16.446 -4.352 -3.024 1.00 0.00 O ATOM 0 H GLY A 2 -14.969 -6.628 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.354 -4.973 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.681 -4.005 -4.031 1.00 0.00 H new ATOM 27 N HIS A 3 -15.033 -3.329 -1.636 1.00 0.00 N ATOM 28 CA HIS A 3 -16.075 -2.650 -0.887 1.00 0.00 C ATOM 29 C HIS A 3 -15.782 -1.168 -0.836 1.00 0.00 C ATOM 30 O HIS A 3 -14.662 -0.741 -1.151 1.00 0.00 O ATOM 31 CB HIS A 3 -16.159 -3.167 0.560 1.00 0.00 C ATOM 32 CG HIS A 3 -16.482 -4.615 0.724 1.00 0.00 C ATOM 33 ND1 HIS A 3 -17.723 -5.068 1.079 1.00 0.00 N ATOM 34 CD2 HIS A 3 -15.701 -5.713 0.629 1.00 0.00 C ATOM 35 CE1 HIS A 3 -17.693 -6.369 1.198 1.00 0.00 C ATOM 36 NE2 HIS A 3 -16.480 -6.791 0.932 1.00 0.00 N ATOM 0 H HIS A 3 -14.088 -3.143 -1.299 1.00 0.00 H new ATOM 0 HA HIS A 3 -17.021 -2.845 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -15.205 -2.971 1.050 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -16.914 -2.585 1.088 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.655 -5.734 0.363 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -18.530 -6.994 1.471 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.171 -7.763 0.949 1.00 0.00 H new ATOM 45 N HIS A 4 -16.789 -0.391 -0.475 1.00 0.00 N ATOM 46 CA HIS A 4 -16.665 1.045 -0.234 1.00 0.00 C ATOM 47 C HIS A 4 -17.584 1.443 0.881 1.00 0.00 C ATOM 48 O HIS A 4 -18.705 1.902 0.652 1.00 0.00 O ATOM 49 CB HIS A 4 -16.911 1.932 -1.477 1.00 0.00 C ATOM 50 CG HIS A 4 -15.858 1.833 -2.523 1.00 0.00 C ATOM 51 ND1 HIS A 4 -14.734 2.622 -2.527 1.00 0.00 N ATOM 52 CD2 HIS A 4 -15.747 1.024 -3.592 1.00 0.00 C ATOM 53 CE1 HIS A 4 -13.982 2.296 -3.546 1.00 0.00 C ATOM 54 NE2 HIS A 4 -14.570 1.328 -4.212 1.00 0.00 N ATOM 0 H HIS A 4 -17.736 -0.743 -0.337 1.00 0.00 H new ATOM 0 HA HIS A 4 -15.624 1.219 0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.870 1.660 -1.918 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.991 2.971 -1.157 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -14.520 3.348 -1.843 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -16.458 0.273 -3.902 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.034 2.748 -3.798 1.00 0.00 H new ATOM 63 N HIS A 5 -17.138 1.217 2.077 1.00 0.00 N ATOM 64 CA HIS A 5 -17.911 1.494 3.251 1.00 0.00 C ATOM 65 C HIS A 5 -17.246 2.641 4.013 1.00 0.00 C ATOM 66 O HIS A 5 -16.297 2.448 4.759 1.00 0.00 O ATOM 67 CB HIS A 5 -18.014 0.211 4.094 1.00 0.00 C ATOM 68 CG HIS A 5 -18.920 0.287 5.266 1.00 0.00 C ATOM 69 ND1 HIS A 5 -18.492 0.117 6.557 1.00 0.00 N ATOM 70 CD2 HIS A 5 -20.251 0.460 5.330 1.00 0.00 C ATOM 71 CE1 HIS A 5 -19.528 0.187 7.365 1.00 0.00 C ATOM 72 NE2 HIS A 5 -20.606 0.393 6.646 1.00 0.00 N ATOM 0 H HIS A 5 -16.214 0.830 2.270 1.00 0.00 H new ATOM 0 HA HIS A 5 -18.925 1.804 2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.351 -0.601 3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -17.016 -0.053 4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -20.916 0.622 4.495 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -19.496 0.091 8.440 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -21.554 0.488 7.011 1.00 0.00 H new ATOM 81 N HIS A 6 -17.739 3.829 3.792 1.00 0.00 N ATOM 82 CA HIS A 6 -17.108 5.031 4.313 1.00 0.00 C ATOM 83 C HIS A 6 -17.420 5.258 5.783 1.00 0.00 C ATOM 84 O HIS A 6 -18.277 4.583 6.362 1.00 0.00 O ATOM 85 CB HIS A 6 -17.510 6.261 3.481 1.00 0.00 C ATOM 86 CG HIS A 6 -17.130 6.169 2.027 1.00 0.00 C ATOM 87 ND1 HIS A 6 -18.025 5.835 1.037 1.00 0.00 N ATOM 88 CD2 HIS A 6 -15.950 6.366 1.401 1.00 0.00 C ATOM 89 CE1 HIS A 6 -17.418 5.826 -0.122 1.00 0.00 C ATOM 90 NE2 HIS A 6 -16.161 6.143 0.067 1.00 0.00 N ATOM 0 H HIS A 6 -18.585 4.001 3.249 1.00 0.00 H new ATOM 0 HA HIS A 6 -16.031 4.885 4.232 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -18.588 6.400 3.556 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -17.043 7.147 3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.016 6.647 1.865 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.875 5.596 -1.073 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.452 6.213 -0.663 1.00 0.00 H new ATOM 99 N HIS A 7 -16.683 6.201 6.390 1.00 0.00 N ATOM 100 CA HIS A 7 -16.849 6.620 7.805 1.00 0.00 C ATOM 101 C HIS A 7 -16.397 5.528 8.772 1.00 0.00 C ATOM 102 O HIS A 7 -16.624 5.608 9.973 1.00 0.00 O ATOM 103 CB HIS A 7 -18.299 7.060 8.108 1.00 0.00 C ATOM 104 CG HIS A 7 -18.776 8.194 7.254 1.00 0.00 C ATOM 105 ND1 HIS A 7 -19.719 8.041 6.269 1.00 0.00 N ATOM 106 CD2 HIS A 7 -18.437 9.501 7.239 1.00 0.00 C ATOM 107 CE1 HIS A 7 -19.937 9.193 5.687 1.00 0.00 C ATOM 108 NE2 HIS A 7 -19.173 10.100 6.255 1.00 0.00 N ATOM 0 H HIS A 7 -15.940 6.707 5.909 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.204 7.486 7.955 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.964 6.208 7.969 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.369 7.352 9.156 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -17.718 9.983 7.884 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -20.628 9.369 4.876 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -19.136 11.088 6.003 1.00 0.00 H new ATOM 117 N HIS A 8 -15.760 4.520 8.239 1.00 0.00 N ATOM 118 CA HIS A 8 -15.227 3.411 9.008 1.00 0.00 C ATOM 119 C HIS A 8 -13.938 3.003 8.370 1.00 0.00 C ATOM 120 O HIS A 8 -13.616 3.492 7.281 1.00 0.00 O ATOM 121 CB HIS A 8 -16.185 2.202 9.015 1.00 0.00 C ATOM 122 CG HIS A 8 -17.503 2.417 9.704 1.00 0.00 C ATOM 123 ND1 HIS A 8 -17.774 1.956 10.966 1.00 0.00 N ATOM 124 CD2 HIS A 8 -18.641 3.005 9.275 1.00 0.00 C ATOM 125 CE1 HIS A 8 -19.014 2.244 11.281 1.00 0.00 C ATOM 126 NE2 HIS A 8 -19.560 2.883 10.269 1.00 0.00 N ATOM 0 H HIS A 8 -15.590 4.439 7.237 1.00 0.00 H new ATOM 0 HA HIS A 8 -15.090 3.728 10.042 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -16.379 1.910 7.983 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -15.679 1.364 9.493 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -18.793 3.484 8.319 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -19.503 1.999 12.212 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -20.518 3.231 10.236 1.00 0.00 H new ATOM 135 N LEU A 9 -13.195 2.139 9.009 1.00 0.00 N ATOM 136 CA LEU A 9 -11.972 1.669 8.417 1.00 0.00 C ATOM 137 C LEU A 9 -12.284 0.562 7.418 1.00 0.00 C ATOM 138 O LEU A 9 -13.119 -0.316 7.678 1.00 0.00 O ATOM 139 CB LEU A 9 -10.870 1.273 9.479 1.00 0.00 C ATOM 140 CG LEU A 9 -11.077 0.054 10.436 1.00 0.00 C ATOM 141 CD1 LEU A 9 -12.374 0.108 11.225 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.894 -1.276 9.731 1.00 0.00 C ATOM 0 H LEU A 9 -13.411 1.751 9.927 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.516 2.496 7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.946 1.094 8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.703 2.148 10.107 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.280 0.136 11.175 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.447 -0.771 11.866 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.389 1.008 11.840 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.219 0.125 10.536 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.049 -2.088 10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.617 -1.360 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.884 -1.337 9.325 1.00 0.00 H new ATOM 154 N GLU A 10 -11.666 0.632 6.289 1.00 0.00 N ATOM 155 CA GLU A 10 -11.903 -0.306 5.220 1.00 0.00 C ATOM 156 C GLU A 10 -10.987 -1.494 5.261 1.00 0.00 C ATOM 157 O GLU A 10 -9.795 -1.369 5.538 1.00 0.00 O ATOM 158 CB GLU A 10 -11.778 0.399 3.879 1.00 0.00 C ATOM 159 CG GLU A 10 -12.959 1.268 3.542 1.00 0.00 C ATOM 160 CD GLU A 10 -14.178 0.432 3.233 1.00 0.00 C ATOM 161 OE1 GLU A 10 -14.801 -0.113 4.155 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.512 0.291 2.038 1.00 0.00 O ATOM 0 H GLU A 10 -10.972 1.346 6.069 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.915 -0.687 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.876 1.012 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.652 -0.348 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.174 1.935 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.719 1.897 2.685 1.00 0.00 H new ATOM 169 N GLU A 11 -11.548 -2.645 5.024 1.00 0.00 N ATOM 170 CA GLU A 11 -10.809 -3.798 4.848 1.00 0.00 C ATOM 171 C GLU A 11 -10.670 -4.071 3.401 1.00 0.00 C ATOM 172 O GLU A 11 -11.652 -4.284 2.683 1.00 0.00 O ATOM 173 CB GLU A 11 -11.419 -4.984 5.543 1.00 0.00 C ATOM 174 CG GLU A 11 -10.734 -6.283 5.167 1.00 0.00 C ATOM 175 CD GLU A 11 -11.225 -7.448 5.982 1.00 0.00 C ATOM 176 OE1 GLU A 11 -12.251 -8.051 5.610 1.00 0.00 O ATOM 177 OE2 GLU A 11 -10.606 -7.772 7.026 1.00 0.00 O ATOM 0 H GLU A 11 -12.557 -2.779 4.952 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.829 -3.638 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.357 -4.842 6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.477 -5.047 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.903 -6.486 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.658 -6.176 5.303 1.00 0.00 H new ATOM 184 N PHE A 12 -9.490 -4.028 2.974 1.00 0.00 N ATOM 185 CA PHE A 12 -9.167 -4.348 1.663 1.00 0.00 C ATOM 186 C PHE A 12 -8.460 -5.630 1.619 1.00 0.00 C ATOM 187 O PHE A 12 -7.633 -5.882 2.436 1.00 0.00 O ATOM 188 CB PHE A 12 -8.250 -3.335 1.099 1.00 0.00 C ATOM 189 CG PHE A 12 -8.874 -2.051 0.660 1.00 0.00 C ATOM 190 CD1 PHE A 12 -9.064 -1.001 1.548 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.264 -1.885 -0.656 1.00 0.00 C ATOM 192 CE1 PHE A 12 -9.630 0.181 1.124 1.00 0.00 C ATOM 193 CE2 PHE A 12 -9.827 -0.704 -1.081 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.011 0.330 -0.191 1.00 0.00 C ATOM 0 H PHE A 12 -8.690 -3.759 3.547 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.096 -4.391 1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.489 -3.108 1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.736 -3.776 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.766 -1.112 2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.125 -2.693 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.775 0.991 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.125 -0.588 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.454 1.257 -0.524 1.00 0.00 H new ATOM 204 N THR A 13 -8.786 -6.447 0.695 1.00 0.00 N ATOM 205 CA THR A 13 -8.006 -7.606 0.484 1.00 0.00 C ATOM 206 C THR A 13 -7.007 -7.261 -0.627 1.00 0.00 C ATOM 207 O THR A 13 -7.370 -6.532 -1.543 1.00 0.00 O ATOM 208 CB THR A 13 -8.876 -8.806 0.094 1.00 0.00 C ATOM 209 OG1 THR A 13 -9.942 -8.946 1.049 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.045 -10.048 0.142 1.00 0.00 C ATOM 0 H THR A 13 -9.586 -6.338 0.072 1.00 0.00 H new ATOM 0 HA THR A 13 -7.489 -7.895 1.399 1.00 0.00 H new ATOM 0 HB THR A 13 -9.279 -8.653 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.503 -9.711 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.657 -10.906 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.213 -9.956 -0.556 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.658 -10.188 1.151 1.00 0.00 H new ATOM 218 N ALA A 14 -5.779 -7.755 -0.538 1.00 0.00 N ATOM 219 CA ALA A 14 -4.707 -7.397 -1.490 1.00 0.00 C ATOM 220 C ALA A 14 -5.114 -7.598 -2.952 1.00 0.00 C ATOM 221 O ALA A 14 -4.893 -6.716 -3.792 1.00 0.00 O ATOM 222 CB ALA A 14 -3.436 -8.148 -1.169 1.00 0.00 C ATOM 0 H ALA A 14 -5.488 -8.411 0.186 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.523 -6.329 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.659 -7.870 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.110 -7.896 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.621 -9.220 -1.234 1.00 0.00 H new ATOM 228 N GLU A 15 -5.739 -8.742 -3.250 1.00 0.00 N ATOM 229 CA GLU A 15 -6.233 -9.010 -4.607 1.00 0.00 C ATOM 230 C GLU A 15 -7.234 -7.940 -5.047 1.00 0.00 C ATOM 231 O GLU A 15 -7.279 -7.557 -6.213 1.00 0.00 O ATOM 232 CB GLU A 15 -6.898 -10.373 -4.691 1.00 0.00 C ATOM 233 CG GLU A 15 -5.991 -11.546 -4.404 1.00 0.00 C ATOM 234 CD GLU A 15 -6.721 -12.854 -4.536 1.00 0.00 C ATOM 235 OE1 GLU A 15 -7.402 -13.264 -3.577 1.00 0.00 O ATOM 236 OE2 GLU A 15 -6.650 -13.472 -5.611 1.00 0.00 O ATOM 0 H GLU A 15 -5.914 -9.490 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.369 -8.992 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.731 -10.398 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.318 -10.494 -5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.145 -11.530 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.585 -11.455 -3.397 1.00 0.00 H new ATOM 243 N GLN A 16 -8.020 -7.457 -4.097 1.00 0.00 N ATOM 244 CA GLN A 16 -9.017 -6.439 -4.372 1.00 0.00 C ATOM 245 C GLN A 16 -8.356 -5.085 -4.521 1.00 0.00 C ATOM 246 O GLN A 16 -8.769 -4.278 -5.326 1.00 0.00 O ATOM 247 CB GLN A 16 -10.109 -6.334 -3.278 1.00 0.00 C ATOM 248 CG GLN A 16 -11.245 -7.391 -3.228 1.00 0.00 C ATOM 249 CD GLN A 16 -10.903 -8.830 -2.806 1.00 0.00 C ATOM 250 OE1 GLN A 16 -9.788 -9.346 -3.191 1.00 0.00 O flip ATOM 251 NE2 GLN A 16 -11.732 -9.487 -2.186 1.00 0.00 N flip ATOM 0 H GLN A 16 -7.984 -7.758 -3.123 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.504 -6.742 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.606 -6.350 -2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.578 -5.355 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.010 -7.020 -2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.697 -7.437 -4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.608 -9.056 -1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.545 -10.465 -1.964 1.00 0.00 H new ATOM 260 N LEU A 17 -7.324 -4.851 -3.731 1.00 0.00 N ATOM 261 CA LEU A 17 -6.623 -3.583 -3.740 1.00 0.00 C ATOM 262 C LEU A 17 -5.947 -3.354 -5.077 1.00 0.00 C ATOM 263 O LEU A 17 -5.860 -2.233 -5.552 1.00 0.00 O ATOM 264 CB LEU A 17 -5.566 -3.530 -2.663 1.00 0.00 C ATOM 265 CG LEU A 17 -4.891 -2.181 -2.533 1.00 0.00 C ATOM 266 CD1 LEU A 17 -5.794 -1.189 -1.850 1.00 0.00 C ATOM 267 CD2 LEU A 17 -3.574 -2.283 -1.859 1.00 0.00 C ATOM 0 H LEU A 17 -6.951 -5.531 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.368 -2.808 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.021 -3.791 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.809 -4.286 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.698 -1.813 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.285 -0.229 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.707 -1.068 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.045 -1.551 -0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.125 -1.293 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.708 -2.695 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.920 -2.937 -2.436 1.00 0.00 H new ATOM 279 N SER A 18 -5.502 -4.439 -5.698 1.00 0.00 N ATOM 280 CA SER A 18 -4.815 -4.386 -6.983 1.00 0.00 C ATOM 281 C SER A 18 -5.732 -3.853 -8.108 1.00 0.00 C ATOM 282 O SER A 18 -5.286 -3.578 -9.221 1.00 0.00 O ATOM 283 CB SER A 18 -4.266 -5.765 -7.316 1.00 0.00 C ATOM 284 OG SER A 18 -3.424 -6.223 -6.256 1.00 0.00 O ATOM 0 H SER A 18 -5.607 -5.382 -5.325 1.00 0.00 H new ATOM 0 HA SER A 18 -3.987 -3.682 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.087 -6.466 -7.468 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.703 -5.726 -8.248 1.00 0.00 H new ATOM 0 HG SER A 18 -3.973 -6.448 -5.476 1.00 0.00 H new ATOM 290 N GLN A 19 -6.999 -3.685 -7.791 1.00 0.00 N ATOM 291 CA GLN A 19 -7.966 -3.160 -8.734 1.00 0.00 C ATOM 292 C GLN A 19 -7.920 -1.634 -8.697 1.00 0.00 C ATOM 293 O GLN A 19 -8.326 -0.959 -9.631 1.00 0.00 O ATOM 294 CB GLN A 19 -9.363 -3.635 -8.358 1.00 0.00 C ATOM 295 CG GLN A 19 -9.522 -5.154 -8.299 1.00 0.00 C ATOM 296 CD GLN A 19 -10.921 -5.575 -7.887 1.00 0.00 C ATOM 297 OE1 GLN A 19 -11.123 -6.632 -7.276 1.00 0.00 O ATOM 298 NE2 GLN A 19 -11.887 -4.760 -8.205 1.00 0.00 N ATOM 0 H GLN A 19 -7.387 -3.908 -6.875 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.727 -3.514 -9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.626 -3.217 -7.386 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.075 -3.236 -9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.291 -5.579 -9.276 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.800 -5.565 -7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.681 -3.897 -8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.849 -4.985 -7.950 1.00 0.00 H new ATOM 307 N TYR A 20 -7.379 -1.120 -7.616 1.00 0.00 N ATOM 308 CA TYR A 20 -7.271 0.306 -7.351 1.00 0.00 C ATOM 309 C TYR A 20 -5.889 0.799 -7.754 1.00 0.00 C ATOM 310 O TYR A 20 -5.445 1.835 -7.314 1.00 0.00 O ATOM 311 CB TYR A 20 -7.505 0.538 -5.850 1.00 0.00 C ATOM 312 CG TYR A 20 -8.907 0.176 -5.389 1.00 0.00 C ATOM 313 CD1 TYR A 20 -9.928 1.107 -5.427 1.00 0.00 C ATOM 314 CD2 TYR A 20 -9.205 -1.096 -4.920 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.201 0.787 -5.014 1.00 0.00 C ATOM 316 CE2 TYR A 20 -10.481 -1.426 -4.502 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.474 -0.478 -4.553 1.00 0.00 C ATOM 318 OH TYR A 20 -12.756 -0.793 -4.131 1.00 0.00 O ATOM 0 H TYR A 20 -6.988 -1.696 -6.871 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.014 0.857 -7.928 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.782 -0.049 -5.283 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.315 1.586 -5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.723 2.104 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.425 -1.842 -4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.984 1.529 -5.052 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.695 -2.420 -4.139 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.355 -0.040 -4.316 1.00 0.00 H new ATOM 328 N ASN A 21 -5.264 0.056 -8.672 1.00 0.00 N ATOM 329 CA ASN A 21 -3.872 0.274 -9.150 1.00 0.00 C ATOM 330 C ASN A 21 -3.604 1.652 -9.795 1.00 0.00 C ATOM 331 O ASN A 21 -2.482 1.926 -10.245 1.00 0.00 O ATOM 332 CB ASN A 21 -3.456 -0.821 -10.114 1.00 0.00 C ATOM 333 CG ASN A 21 -4.329 -0.861 -11.359 1.00 0.00 C ATOM 334 OD1 ASN A 21 -4.096 -0.133 -12.307 1.00 0.00 O ATOM 335 ND2 ASN A 21 -5.300 -1.745 -11.379 1.00 0.00 N ATOM 0 H ASN A 21 -5.715 -0.740 -9.124 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.268 0.245 -8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.417 -0.668 -10.407 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.506 -1.785 -9.608 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.888 -1.838 -12.207 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.466 -2.338 -10.566 1.00 0.00 H new ATOM 342 N GLY A 22 -4.606 2.485 -9.880 1.00 0.00 N ATOM 343 CA GLY A 22 -4.401 3.839 -10.327 1.00 0.00 C ATOM 344 C GLY A 22 -4.481 4.053 -11.823 1.00 0.00 C ATOM 345 O GLY A 22 -4.779 5.163 -12.267 1.00 0.00 O ATOM 0 H GLY A 22 -5.571 2.252 -9.646 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.142 4.477 -9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.422 4.172 -9.982 1.00 0.00 H new ATOM 349 N THR A 23 -4.232 3.033 -12.623 1.00 0.00 N ATOM 350 CA THR A 23 -4.260 3.257 -14.061 1.00 0.00 C ATOM 351 C THR A 23 -5.573 2.868 -14.643 1.00 0.00 C ATOM 352 O THR A 23 -5.740 2.766 -15.871 1.00 0.00 O ATOM 353 CB THR A 23 -3.059 2.643 -14.827 1.00 0.00 C ATOM 354 OG1 THR A 23 -3.010 3.142 -16.179 1.00 0.00 O ATOM 355 CG2 THR A 23 -3.121 1.124 -14.872 1.00 0.00 C ATOM 0 H THR A 23 -4.017 2.082 -12.324 1.00 0.00 H new ATOM 0 HA THR A 23 -4.142 4.332 -14.197 1.00 0.00 H new ATOM 0 HB THR A 23 -2.162 2.938 -14.283 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.918 3.186 -16.544 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.259 0.741 -15.419 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.111 0.729 -13.856 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.037 0.812 -15.374 1.00 0.00 H new ATOM 363 N ASP A 24 -6.523 2.695 -13.789 1.00 0.00 N ATOM 364 CA ASP A 24 -7.833 2.548 -14.259 1.00 0.00 C ATOM 365 C ASP A 24 -8.305 3.968 -14.578 1.00 0.00 C ATOM 366 O ASP A 24 -7.564 4.945 -14.338 1.00 0.00 O ATOM 367 CB ASP A 24 -8.747 1.854 -13.245 1.00 0.00 C ATOM 368 CG ASP A 24 -10.120 1.532 -13.819 1.00 0.00 C ATOM 369 OD1 ASP A 24 -10.288 0.452 -14.373 1.00 0.00 O ATOM 370 OD2 ASP A 24 -11.043 2.370 -13.718 1.00 0.00 O ATOM 0 H ASP A 24 -6.408 2.654 -12.776 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.867 1.903 -15.137 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.274 0.932 -12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.864 2.493 -12.370 1.00 0.00 H new ATOM 375 N GLU A 25 -9.480 4.136 -15.024 1.00 0.00 N ATOM 376 CA GLU A 25 -9.873 5.380 -15.442 1.00 0.00 C ATOM 377 C GLU A 25 -10.978 5.738 -14.594 1.00 0.00 C ATOM 378 O GLU A 25 -12.140 5.484 -14.916 1.00 0.00 O ATOM 379 CB GLU A 25 -10.200 5.413 -16.927 1.00 0.00 C ATOM 380 CG GLU A 25 -9.037 4.921 -17.769 1.00 0.00 C ATOM 381 CD GLU A 25 -9.255 5.057 -19.234 1.00 0.00 C ATOM 382 OE1 GLU A 25 -9.963 4.224 -19.829 1.00 0.00 O ATOM 383 OE2 GLU A 25 -8.713 5.987 -19.821 1.00 0.00 O ATOM 0 H GLU A 25 -10.186 3.404 -15.104 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.072 6.113 -15.348 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.077 4.795 -17.120 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.457 6.431 -17.221 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.140 5.475 -17.492 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.849 3.873 -17.535 1.00 0.00 H new ATOM 390 N SER A 26 -10.582 6.164 -13.415 1.00 0.00 N ATOM 391 CA SER A 26 -11.466 6.592 -12.379 1.00 0.00 C ATOM 392 C SER A 26 -11.910 5.512 -11.390 1.00 0.00 C ATOM 393 O SER A 26 -12.976 4.916 -11.524 1.00 0.00 O ATOM 394 CB SER A 26 -12.629 7.405 -12.892 1.00 0.00 C ATOM 395 OG SER A 26 -12.229 8.682 -13.347 1.00 0.00 O ATOM 0 H SER A 26 -9.598 6.220 -13.152 1.00 0.00 H new ATOM 0 HA SER A 26 -10.839 7.255 -11.783 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.115 6.867 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.368 7.519 -12.099 1.00 0.00 H new ATOM 0 HG SER A 26 -13.012 9.174 -13.672 1.00 0.00 H new ATOM 401 N LYS A 27 -11.034 5.233 -10.458 1.00 0.00 N ATOM 402 CA LYS A 27 -11.313 4.468 -9.264 1.00 0.00 C ATOM 403 C LYS A 27 -10.542 5.167 -8.180 1.00 0.00 C ATOM 404 O LYS A 27 -9.564 5.846 -8.505 1.00 0.00 O ATOM 405 CB LYS A 27 -10.830 3.008 -9.347 1.00 0.00 C ATOM 406 CG LYS A 27 -11.443 2.180 -10.443 1.00 0.00 C ATOM 407 CD LYS A 27 -11.064 0.715 -10.278 1.00 0.00 C ATOM 408 CE LYS A 27 -11.611 -0.146 -11.402 1.00 0.00 C ATOM 409 NZ LYS A 27 -13.090 -0.168 -11.454 1.00 0.00 N ATOM 0 H LYS A 27 -10.064 5.545 -10.511 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.389 4.419 -9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.748 3.009 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.034 2.522 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.528 2.286 -10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.105 2.542 -11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.978 0.623 -10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.442 0.348 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.226 0.222 -12.353 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.243 -1.165 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.402 -0.838 -12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.465 -0.465 -10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.444 0.783 -11.682 1.00 0.00 H new ATOM 423 N PRO A 28 -10.971 5.116 -6.912 1.00 0.00 N ATOM 424 CA PRO A 28 -10.194 5.704 -5.815 1.00 0.00 C ATOM 425 C PRO A 28 -8.842 5.004 -5.713 1.00 0.00 C ATOM 426 O PRO A 28 -8.725 3.824 -6.045 1.00 0.00 O ATOM 427 CB PRO A 28 -11.056 5.445 -4.582 1.00 0.00 C ATOM 428 CG PRO A 28 -12.423 5.234 -5.129 1.00 0.00 C ATOM 429 CD PRO A 28 -12.220 4.516 -6.428 1.00 0.00 C ATOM 0 HA PRO A 28 -9.979 6.765 -5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.709 4.572 -4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.029 6.289 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.034 4.645 -4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.938 6.183 -5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.129 3.439 -6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.047 4.680 -7.119 1.00 0.00 H new ATOM 437 N ILE A 29 -7.844 5.705 -5.270 1.00 0.00 N ATOM 438 CA ILE A 29 -6.504 5.174 -5.311 1.00 0.00 C ATOM 439 C ILE A 29 -6.034 4.884 -3.864 1.00 0.00 C ATOM 440 O ILE A 29 -6.201 5.736 -2.975 1.00 0.00 O ATOM 441 CB ILE A 29 -5.493 6.163 -6.033 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.987 6.668 -7.421 1.00 0.00 C ATOM 443 CG2 ILE A 29 -4.202 5.465 -6.271 1.00 0.00 C ATOM 444 CD1 ILE A 29 -7.085 7.708 -7.416 1.00 0.00 C ATOM 0 H ILE A 29 -7.924 6.643 -4.876 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.516 4.253 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.397 7.020 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.132 7.079 -7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.337 5.807 -7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.508 6.143 -6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.780 5.146 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.371 4.593 -6.903 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.338 7.975 -8.442 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.967 7.304 -6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.743 8.596 -6.884 1.00 0.00 H new ATOM 456 N TYR A 30 -5.425 3.710 -3.622 1.00 0.00 N ATOM 457 CA TYR A 30 -5.085 3.295 -2.271 1.00 0.00 C ATOM 458 C TYR A 30 -3.839 2.454 -2.290 1.00 0.00 C ATOM 459 O TYR A 30 -3.765 1.466 -3.006 1.00 0.00 O ATOM 460 CB TYR A 30 -6.208 2.442 -1.640 1.00 0.00 C ATOM 461 CG TYR A 30 -7.547 3.113 -1.460 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.750 4.037 -0.450 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.616 2.801 -2.286 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.977 4.634 -0.269 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.845 3.396 -2.111 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.020 4.313 -1.100 1.00 0.00 C ATOM 467 OH TYR A 30 -11.251 4.913 -0.920 1.00 0.00 O ATOM 0 H TYR A 30 -5.164 3.042 -4.348 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.940 4.202 -1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.351 1.556 -2.259 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.866 2.097 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.932 4.294 0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.482 2.080 -3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.118 5.353 0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.668 3.144 -2.764 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.880 4.577 -1.592 1.00 0.00 H new ATOM 477 N VAL A 31 -2.897 2.805 -1.482 1.00 0.00 N ATOM 478 CA VAL A 31 -1.675 2.061 -1.403 1.00 0.00 C ATOM 479 C VAL A 31 -1.567 1.413 -0.034 1.00 0.00 C ATOM 480 O VAL A 31 -1.855 2.042 0.985 1.00 0.00 O ATOM 481 CB VAL A 31 -0.416 2.941 -1.730 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.300 4.135 -0.863 1.00 0.00 C ATOM 483 CG2 VAL A 31 0.838 2.149 -1.651 1.00 0.00 C ATOM 0 H VAL A 31 -2.946 3.611 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.699 1.282 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.562 3.287 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.590 4.700 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.182 4.763 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.222 3.822 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.688 2.790 -1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.951 1.746 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.796 1.329 -2.367 1.00 0.00 H new ATOM 493 N ALA A 32 -1.187 0.169 -0.002 1.00 0.00 N ATOM 494 CA ALA A 32 -1.092 -0.525 1.243 1.00 0.00 C ATOM 495 C ALA A 32 0.342 -0.723 1.627 1.00 0.00 C ATOM 496 O ALA A 32 1.147 -1.215 0.849 1.00 0.00 O ATOM 497 CB ALA A 32 -1.826 -1.849 1.194 1.00 0.00 C ATOM 0 H ALA A 32 -0.939 -0.382 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.571 0.088 2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.734 -2.352 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.879 -1.673 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.393 -2.476 0.414 1.00 0.00 H new ATOM 503 N ILE A 33 0.661 -0.304 2.804 1.00 0.00 N ATOM 504 CA ILE A 33 1.981 -0.432 3.333 1.00 0.00 C ATOM 505 C ILE A 33 1.921 -1.249 4.597 1.00 0.00 C ATOM 506 O ILE A 33 1.168 -0.904 5.509 1.00 0.00 O ATOM 507 CB ILE A 33 2.587 0.950 3.645 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.769 1.775 2.369 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.883 0.827 4.411 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.422 3.118 2.608 1.00 0.00 C ATOM 0 H ILE A 33 0.002 0.146 3.439 1.00 0.00 H new ATOM 0 HA ILE A 33 2.612 -0.923 2.592 1.00 0.00 H new ATOM 0 HB ILE A 33 1.882 1.481 4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.373 1.207 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.795 1.931 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.282 1.821 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.701 0.310 5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.603 0.261 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.520 3.649 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.808 3.705 3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.410 2.970 3.044 1.00 0.00 H new ATOM 522 N LYS A 34 2.665 -2.359 4.622 1.00 0.00 N ATOM 523 CA LYS A 34 2.764 -3.276 5.780 1.00 0.00 C ATOM 524 C LYS A 34 1.471 -4.103 5.896 1.00 0.00 C ATOM 525 O LYS A 34 1.482 -5.325 5.863 1.00 0.00 O ATOM 526 CB LYS A 34 3.119 -2.460 7.080 1.00 0.00 C ATOM 527 CG LYS A 34 3.346 -3.244 8.379 1.00 0.00 C ATOM 528 CD LYS A 34 2.070 -3.854 8.944 1.00 0.00 C ATOM 529 CE LYS A 34 2.329 -4.578 10.247 1.00 0.00 C ATOM 530 NZ LYS A 34 1.097 -5.184 10.783 1.00 0.00 N ATOM 0 H LYS A 34 3.229 -2.658 3.827 1.00 0.00 H new ATOM 0 HA LYS A 34 3.575 -3.990 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.020 -1.882 6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.315 -1.746 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.070 -4.038 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.784 -2.580 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.331 -3.069 9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.646 -4.549 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.079 -5.354 10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.740 -3.880 10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.310 -5.672 11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.391 -4.440 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.719 -5.868 10.096 1.00 0.00 H new ATOM 544 N GLY A 35 0.391 -3.408 6.020 1.00 0.00 N ATOM 545 CA GLY A 35 -0.920 -3.988 6.082 1.00 0.00 C ATOM 546 C GLY A 35 -1.910 -2.901 6.375 1.00 0.00 C ATOM 547 O GLY A 35 -3.012 -3.140 6.872 1.00 0.00 O ATOM 0 H GLY A 35 0.390 -2.390 6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.163 -4.476 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.959 -4.754 6.857 1.00 0.00 H new ATOM 551 N ARG A 36 -1.501 -1.703 6.046 1.00 0.00 N ATOM 552 CA ARG A 36 -2.204 -0.497 6.346 1.00 0.00 C ATOM 553 C ARG A 36 -2.523 0.164 5.027 1.00 0.00 C ATOM 554 O ARG A 36 -1.621 0.402 4.230 1.00 0.00 O ATOM 555 CB ARG A 36 -1.234 0.397 7.116 1.00 0.00 C ATOM 556 CG ARG A 36 -0.569 -0.303 8.296 1.00 0.00 C ATOM 557 CD ARG A 36 0.595 0.501 8.838 1.00 0.00 C ATOM 558 NE ARG A 36 0.182 1.795 9.340 1.00 0.00 N ATOM 559 CZ ARG A 36 1.016 2.773 9.705 1.00 0.00 C ATOM 560 NH1 ARG A 36 2.348 2.641 9.555 1.00 0.00 N ATOM 561 NH2 ARG A 36 0.520 3.884 10.217 1.00 0.00 N ATOM 0 H ARG A 36 -0.630 -1.542 5.540 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.113 -0.674 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.463 0.755 6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.770 1.274 7.479 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.303 -0.461 9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.219 -1.287 7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.079 -0.059 9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.336 0.639 8.051 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.819 1.973 9.421 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.734 1.785 9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.971 3.397 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.488 3.988 10.330 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.145 4.639 10.500 1.00 0.00 H new ATOM 575 N VAL A 37 -3.764 0.431 4.781 1.00 0.00 N ATOM 576 CA VAL A 37 -4.162 1.046 3.537 1.00 0.00 C ATOM 577 C VAL A 37 -4.219 2.547 3.674 1.00 0.00 C ATOM 578 O VAL A 37 -4.973 3.079 4.476 1.00 0.00 O ATOM 579 CB VAL A 37 -5.514 0.490 3.018 1.00 0.00 C ATOM 580 CG1 VAL A 37 -5.985 1.251 1.793 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.354 -0.968 2.663 1.00 0.00 C ATOM 0 H VAL A 37 -4.531 0.235 5.424 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.403 0.794 2.797 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.257 0.608 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.935 0.839 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.116 2.303 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.243 1.158 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.303 -1.360 2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.596 -1.072 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.047 -1.526 3.547 1.00 0.00 H new ATOM 591 N PHE A 38 -3.405 3.204 2.911 1.00 0.00 N ATOM 592 CA PHE A 38 -3.333 4.638 2.884 1.00 0.00 C ATOM 593 C PHE A 38 -4.064 5.148 1.662 1.00 0.00 C ATOM 594 O PHE A 38 -3.978 4.542 0.582 1.00 0.00 O ATOM 595 CB PHE A 38 -1.878 5.083 2.786 1.00 0.00 C ATOM 596 CG PHE A 38 -1.002 4.792 3.979 1.00 0.00 C ATOM 597 CD1 PHE A 38 -0.544 3.510 4.249 1.00 0.00 C ATOM 598 CD2 PHE A 38 -0.621 5.814 4.820 1.00 0.00 C ATOM 599 CE1 PHE A 38 0.273 3.267 5.336 1.00 0.00 C ATOM 600 CE2 PHE A 38 0.195 5.577 5.897 1.00 0.00 C ATOM 601 CZ PHE A 38 0.645 4.302 6.158 1.00 0.00 C ATOM 0 H PHE A 38 -2.753 2.750 2.271 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.782 5.033 3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.434 4.606 1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.862 6.158 2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.829 2.694 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.970 6.818 4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.619 2.264 5.539 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.485 6.393 6.542 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.288 4.117 7.006 1.00 0.00 H new ATOM 611 N ASP A 39 -4.779 6.234 1.813 1.00 0.00 N ATOM 612 CA ASP A 39 -5.464 6.830 0.678 1.00 0.00 C ATOM 613 C ASP A 39 -4.527 7.723 -0.070 1.00 0.00 C ATOM 614 O ASP A 39 -3.874 8.586 0.518 1.00 0.00 O ATOM 615 CB ASP A 39 -6.705 7.632 1.087 1.00 0.00 C ATOM 616 CG ASP A 39 -7.398 8.272 -0.124 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.051 9.406 -0.503 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.299 7.647 -0.706 1.00 0.00 O ATOM 0 H ASP A 39 -4.906 6.725 2.698 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.798 6.008 0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.407 6.977 1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.418 8.410 1.794 1.00 0.00 H new ATOM 623 N VAL A 40 -4.440 7.505 -1.346 1.00 0.00 N ATOM 624 CA VAL A 40 -3.624 8.317 -2.205 1.00 0.00 C ATOM 625 C VAL A 40 -4.458 8.868 -3.335 1.00 0.00 C ATOM 626 O VAL A 40 -3.939 9.267 -4.381 1.00 0.00 O ATOM 627 CB VAL A 40 -2.378 7.566 -2.744 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.379 7.351 -1.643 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.766 6.237 -3.322 1.00 0.00 C ATOM 0 H VAL A 40 -4.935 6.754 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.241 9.142 -1.604 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.931 8.179 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.511 6.823 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.066 8.315 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.834 6.759 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.877 5.728 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.236 5.628 -2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.467 6.388 -4.143 1.00 0.00 H new ATOM 639 N THR A 41 -5.759 8.950 -3.088 1.00 0.00 N ATOM 640 CA THR A 41 -6.687 9.528 -4.032 1.00 0.00 C ATOM 641 C THR A 41 -6.444 11.042 -4.039 1.00 0.00 C ATOM 642 O THR A 41 -6.705 11.747 -5.027 1.00 0.00 O ATOM 643 CB THR A 41 -8.152 9.228 -3.616 1.00 0.00 C ATOM 644 OG1 THR A 41 -8.313 7.811 -3.412 1.00 0.00 O ATOM 645 CG2 THR A 41 -9.127 9.673 -4.697 1.00 0.00 C ATOM 0 H THR A 41 -6.193 8.616 -2.227 1.00 0.00 H new ATOM 0 HA THR A 41 -6.533 9.102 -5.023 1.00 0.00 H new ATOM 0 HB THR A 41 -8.362 9.775 -2.697 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.322 7.618 -2.451 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.146 9.452 -4.381 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.023 10.745 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.911 9.141 -5.623 1.00 0.00 H new ATOM 653 N THR A 42 -5.910 11.517 -2.927 1.00 0.00 N ATOM 654 CA THR A 42 -5.530 12.884 -2.751 1.00 0.00 C ATOM 655 C THR A 42 -4.346 13.223 -3.674 1.00 0.00 C ATOM 656 O THR A 42 -4.260 14.325 -4.234 1.00 0.00 O ATOM 657 CB THR A 42 -5.136 13.114 -1.284 1.00 0.00 C ATOM 658 OG1 THR A 42 -4.116 12.167 -0.916 1.00 0.00 O ATOM 659 CG2 THR A 42 -6.346 12.931 -0.374 1.00 0.00 C ATOM 0 H THR A 42 -5.729 10.937 -2.108 1.00 0.00 H new ATOM 0 HA THR A 42 -6.369 13.531 -3.007 1.00 0.00 H new ATOM 0 HB THR A 42 -4.762 14.131 -1.171 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.859 12.310 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.051 13.097 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.120 13.647 -0.650 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.733 11.918 -0.483 1.00 0.00 H new ATOM 667 N GLY A 43 -3.461 12.253 -3.847 1.00 0.00 N ATOM 668 CA GLY A 43 -2.310 12.401 -4.703 1.00 0.00 C ATOM 669 C GLY A 43 -2.505 11.652 -5.996 1.00 0.00 C ATOM 670 O GLY A 43 -1.595 10.964 -6.484 1.00 0.00 O ATOM 0 H GLY A 43 -3.527 11.342 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.140 13.457 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.421 12.029 -4.193 1.00 0.00 H new ATOM 674 N LYS A 44 -3.699 11.789 -6.557 1.00 0.00 N ATOM 675 CA LYS A 44 -4.081 11.121 -7.788 1.00 0.00 C ATOM 676 C LYS A 44 -3.135 11.488 -8.925 1.00 0.00 C ATOM 677 O LYS A 44 -2.794 10.649 -9.735 1.00 0.00 O ATOM 678 CB LYS A 44 -5.501 11.497 -8.190 1.00 0.00 C ATOM 679 CG LYS A 44 -6.006 10.745 -9.413 1.00 0.00 C ATOM 680 CD LYS A 44 -7.300 11.326 -9.910 1.00 0.00 C ATOM 681 CE LYS A 44 -7.834 10.565 -11.115 1.00 0.00 C ATOM 682 NZ LYS A 44 -9.069 11.181 -11.657 1.00 0.00 N ATOM 0 H LYS A 44 -4.436 12.374 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.026 10.048 -7.604 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.171 11.303 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.542 12.568 -8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.257 10.787 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.148 9.693 -9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.039 11.305 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.150 12.372 -10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.071 10.536 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.038 9.533 -10.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.400 10.632 -12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.806 11.185 -10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.869 12.158 -11.952 1.00 0.00 H new ATOM 696 N SER A 45 -2.692 12.731 -8.959 1.00 0.00 N ATOM 697 CA SER A 45 -1.785 13.206 -9.999 1.00 0.00 C ATOM 698 C SER A 45 -0.449 12.439 -9.992 1.00 0.00 C ATOM 699 O SER A 45 0.308 12.477 -10.957 1.00 0.00 O ATOM 700 CB SER A 45 -1.547 14.693 -9.837 1.00 0.00 C ATOM 701 OG SER A 45 -2.782 15.402 -9.856 1.00 0.00 O ATOM 0 H SER A 45 -2.947 13.441 -8.272 1.00 0.00 H new ATOM 0 HA SER A 45 -2.257 13.021 -10.964 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.026 14.884 -8.899 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.902 15.053 -10.638 1.00 0.00 H new ATOM 0 HG SER A 45 -2.610 16.361 -9.748 1.00 0.00 H new ATOM 707 N PHE A 46 -0.174 11.748 -8.913 1.00 0.00 N ATOM 708 CA PHE A 46 1.015 10.954 -8.819 1.00 0.00 C ATOM 709 C PHE A 46 0.674 9.468 -8.961 1.00 0.00 C ATOM 710 O PHE A 46 1.273 8.751 -9.775 1.00 0.00 O ATOM 711 CB PHE A 46 1.719 11.206 -7.477 1.00 0.00 C ATOM 712 CG PHE A 46 2.185 12.620 -7.275 1.00 0.00 C ATOM 713 CD1 PHE A 46 3.402 13.039 -7.787 1.00 0.00 C ATOM 714 CD2 PHE A 46 1.412 13.529 -6.571 1.00 0.00 C ATOM 715 CE1 PHE A 46 3.837 14.334 -7.605 1.00 0.00 C ATOM 716 CE2 PHE A 46 1.844 14.828 -6.384 1.00 0.00 C ATOM 717 CZ PHE A 46 3.058 15.231 -6.902 1.00 0.00 C ATOM 0 H PHE A 46 -0.767 11.723 -8.083 1.00 0.00 H new ATOM 0 HA PHE A 46 1.687 11.239 -9.628 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.038 10.942 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.578 10.539 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.018 12.342 -8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.461 13.219 -6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.787 14.647 -8.012 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.232 15.527 -5.833 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.398 16.246 -6.758 1.00 0.00 H new ATOM 727 N TYR A 47 -0.319 9.028 -8.208 1.00 0.00 N ATOM 728 CA TYR A 47 -0.679 7.615 -8.144 1.00 0.00 C ATOM 729 C TYR A 47 -1.716 7.163 -9.185 1.00 0.00 C ATOM 730 O TYR A 47 -1.554 6.108 -9.791 1.00 0.00 O ATOM 731 CB TYR A 47 -1.131 7.242 -6.727 1.00 0.00 C ATOM 732 CG TYR A 47 -0.036 7.338 -5.686 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.369 8.560 -5.183 1.00 0.00 C ATOM 734 CD2 TYR A 47 0.596 6.196 -5.211 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.369 8.645 -4.248 1.00 0.00 C ATOM 736 CE2 TYR A 47 1.597 6.274 -4.269 1.00 0.00 C ATOM 737 CZ TYR A 47 1.980 7.500 -3.792 1.00 0.00 C ATOM 738 OH TYR A 47 2.991 7.587 -2.860 1.00 0.00 O ATOM 0 H TYR A 47 -0.898 9.633 -7.625 1.00 0.00 H new ATOM 0 HA TYR A 47 0.231 7.072 -8.400 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.954 7.895 -6.435 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.520 6.224 -6.737 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.110 9.463 -5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.297 5.229 -5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.676 9.609 -3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.077 5.376 -3.909 1.00 0.00 H new ATOM 0 HH TYR A 47 3.315 6.688 -2.643 1.00 0.00 H new ATOM 748 N GLY A 48 -2.750 7.946 -9.421 1.00 0.00 N ATOM 749 CA GLY A 48 -3.802 7.487 -10.312 1.00 0.00 C ATOM 750 C GLY A 48 -3.931 8.318 -11.554 1.00 0.00 C ATOM 751 O GLY A 48 -5.035 8.498 -12.074 1.00 0.00 O ATOM 0 H GLY A 48 -2.886 8.875 -9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.604 6.453 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.752 7.496 -9.777 1.00 0.00 H new ATOM 755 N SER A 49 -2.811 8.805 -12.041 1.00 0.00 N ATOM 756 CA SER A 49 -2.790 9.663 -13.220 1.00 0.00 C ATOM 757 C SER A 49 -1.362 9.962 -13.663 1.00 0.00 C ATOM 758 O SER A 49 -1.097 10.177 -14.855 1.00 0.00 O ATOM 759 CB SER A 49 -3.527 10.972 -12.913 1.00 0.00 C ATOM 760 OG SER A 49 -3.610 11.823 -14.047 1.00 0.00 O ATOM 0 H SER A 49 -1.891 8.623 -11.639 1.00 0.00 H new ATOM 0 HA SER A 49 -3.291 9.140 -14.035 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.532 10.746 -12.557 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.013 11.495 -12.106 1.00 0.00 H new ATOM 0 HG SER A 49 -4.088 12.644 -13.806 1.00 0.00 H new ATOM 766 N GLY A 50 -0.439 9.958 -12.723 1.00 0.00 N ATOM 767 CA GLY A 50 0.916 10.320 -13.050 1.00 0.00 C ATOM 768 C GLY A 50 1.701 9.166 -13.577 1.00 0.00 C ATOM 769 O GLY A 50 2.739 9.351 -14.199 1.00 0.00 O ATOM 0 H GLY A 50 -0.601 9.713 -11.746 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.907 11.119 -13.792 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.408 10.715 -12.161 1.00 0.00 H new ATOM 773 N GLY A 51 1.218 7.972 -13.314 1.00 0.00 N ATOM 774 CA GLY A 51 1.892 6.744 -13.750 1.00 0.00 C ATOM 775 C GLY A 51 3.108 6.397 -12.916 1.00 0.00 C ATOM 776 O GLY A 51 3.360 5.237 -12.608 1.00 0.00 O ATOM 0 H GLY A 51 0.354 7.813 -12.796 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.184 5.916 -13.709 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.194 6.854 -14.791 1.00 0.00 H new ATOM 780 N ASP A 52 3.811 7.413 -12.534 1.00 0.00 N ATOM 781 CA ASP A 52 5.055 7.355 -11.792 1.00 0.00 C ATOM 782 C ASP A 52 4.914 6.611 -10.453 1.00 0.00 C ATOM 783 O ASP A 52 5.869 6.051 -9.942 1.00 0.00 O ATOM 784 CB ASP A 52 5.513 8.782 -11.576 1.00 0.00 C ATOM 785 CG ASP A 52 6.883 8.907 -10.960 1.00 0.00 C ATOM 786 OD1 ASP A 52 7.881 8.744 -11.692 1.00 0.00 O ATOM 787 OD2 ASP A 52 6.988 9.217 -9.763 1.00 0.00 O ATOM 0 H ASP A 52 3.525 8.371 -12.738 1.00 0.00 H new ATOM 0 HA ASP A 52 5.791 6.788 -12.362 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.510 9.301 -12.534 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.792 9.290 -10.936 1.00 0.00 H new ATOM 792 N TYR A 53 3.723 6.619 -9.892 1.00 0.00 N ATOM 793 CA TYR A 53 3.455 5.900 -8.656 1.00 0.00 C ATOM 794 C TYR A 53 2.370 4.834 -8.837 1.00 0.00 C ATOM 795 O TYR A 53 1.835 4.325 -7.863 1.00 0.00 O ATOM 796 CB TYR A 53 3.058 6.860 -7.541 1.00 0.00 C ATOM 797 CG TYR A 53 4.167 7.740 -7.010 1.00 0.00 C ATOM 798 CD1 TYR A 53 4.946 7.315 -5.943 1.00 0.00 C ATOM 799 CD2 TYR A 53 4.417 8.993 -7.544 1.00 0.00 C ATOM 800 CE1 TYR A 53 5.942 8.110 -5.425 1.00 0.00 C ATOM 801 CE2 TYR A 53 5.419 9.797 -7.033 1.00 0.00 C ATOM 802 CZ TYR A 53 6.176 9.349 -5.972 1.00 0.00 C ATOM 803 OH TYR A 53 7.168 10.149 -5.446 1.00 0.00 O ATOM 0 H TYR A 53 2.918 7.117 -10.272 1.00 0.00 H new ATOM 0 HA TYR A 53 4.380 5.395 -8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.254 7.500 -7.906 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.652 6.279 -6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.767 6.341 -5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.821 9.347 -8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.537 7.763 -4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.607 10.770 -7.463 1.00 0.00 H new ATOM 0 HH TYR A 53 7.208 10.992 -5.945 1.00 0.00 H new ATOM 813 N SER A 54 2.104 4.457 -10.072 1.00 0.00 N ATOM 814 CA SER A 54 1.028 3.504 -10.399 1.00 0.00 C ATOM 815 C SER A 54 1.284 2.106 -9.807 1.00 0.00 C ATOM 816 O SER A 54 0.354 1.335 -9.565 1.00 0.00 O ATOM 817 CB SER A 54 0.924 3.385 -11.899 1.00 0.00 C ATOM 818 OG SER A 54 -0.158 2.536 -12.293 1.00 0.00 O ATOM 0 H SER A 54 2.619 4.794 -10.885 1.00 0.00 H new ATOM 0 HA SER A 54 0.103 3.885 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.785 4.375 -12.333 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.859 2.991 -12.298 1.00 0.00 H new ATOM 0 HG SER A 54 -0.790 2.446 -11.550 1.00 0.00 H new ATOM 824 N MET A 55 2.529 1.797 -9.584 1.00 0.00 N ATOM 825 CA MET A 55 2.931 0.508 -9.060 1.00 0.00 C ATOM 826 C MET A 55 2.708 0.439 -7.548 1.00 0.00 C ATOM 827 O MET A 55 2.720 -0.625 -6.956 1.00 0.00 O ATOM 828 CB MET A 55 4.392 0.193 -9.453 1.00 0.00 C ATOM 829 CG MET A 55 5.448 1.183 -8.950 1.00 0.00 C ATOM 830 SD MET A 55 5.202 2.894 -9.505 1.00 0.00 S ATOM 831 CE MET A 55 5.440 2.725 -11.279 1.00 0.00 C ATOM 0 H MET A 55 3.307 2.433 -9.760 1.00 0.00 H new ATOM 0 HA MET A 55 2.303 -0.263 -9.507 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.643 -0.799 -9.077 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.454 0.147 -10.540 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.454 1.165 -7.860 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.430 0.845 -9.280 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.478 3.713 -11.737 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.375 2.199 -11.472 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.611 2.160 -11.705 1.00 0.00 H new ATOM 841 N PHE A 56 2.506 1.594 -6.954 1.00 0.00 N ATOM 842 CA PHE A 56 2.166 1.720 -5.541 1.00 0.00 C ATOM 843 C PHE A 56 0.674 1.943 -5.383 1.00 0.00 C ATOM 844 O PHE A 56 0.053 1.391 -4.505 1.00 0.00 O ATOM 845 CB PHE A 56 2.865 2.928 -4.921 1.00 0.00 C ATOM 846 CG PHE A 56 4.334 2.813 -4.702 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.233 2.827 -5.754 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.815 2.710 -3.419 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.588 2.736 -5.516 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.151 2.625 -3.170 1.00 0.00 C ATOM 851 CZ PHE A 56 7.051 2.636 -4.217 1.00 0.00 C ATOM 0 H PHE A 56 2.573 2.489 -7.439 1.00 0.00 H new ATOM 0 HA PHE A 56 2.482 0.801 -5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.683 3.791 -5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.394 3.138 -3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.871 2.910 -6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.120 2.696 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.285 2.743 -6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.507 2.549 -2.153 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.111 2.567 -4.022 1.00 0.00 H new ATOM 861 N ALA A 57 0.133 2.740 -6.300 1.00 0.00 N ATOM 862 CA ALA A 57 -1.261 3.259 -6.326 1.00 0.00 C ATOM 863 C ALA A 57 -2.353 2.263 -5.952 1.00 0.00 C ATOM 864 O ALA A 57 -3.414 2.651 -5.502 1.00 0.00 O ATOM 865 CB ALA A 57 -1.534 3.801 -7.702 1.00 0.00 C ATOM 0 H ALA A 57 0.675 3.069 -7.099 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.308 4.023 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.552 4.188 -7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.831 4.604 -7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.417 3.004 -8.437 1.00 0.00 H new ATOM 871 N GLY A 58 -2.081 1.031 -6.119 1.00 0.00 N ATOM 872 CA GLY A 58 -3.050 0.020 -5.860 1.00 0.00 C ATOM 873 C GLY A 58 -2.391 -1.280 -5.700 1.00 0.00 C ATOM 874 O GLY A 58 -2.850 -2.293 -6.208 1.00 0.00 O ATOM 0 H GLY A 58 -1.178 0.682 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.611 0.266 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.767 -0.026 -6.679 1.00 0.00 H new ATOM 878 N LYS A 59 -1.284 -1.259 -5.038 1.00 0.00 N ATOM 879 CA LYS A 59 -0.579 -2.404 -4.772 1.00 0.00 C ATOM 880 C LYS A 59 0.063 -2.274 -3.429 1.00 0.00 C ATOM 881 O LYS A 59 0.589 -1.220 -3.077 1.00 0.00 O ATOM 882 CB LYS A 59 0.458 -2.717 -5.864 1.00 0.00 C ATOM 883 CG LYS A 59 1.269 -3.942 -5.538 1.00 0.00 C ATOM 884 CD LYS A 59 0.392 -5.145 -5.351 1.00 0.00 C ATOM 885 CE LYS A 59 1.049 -6.151 -4.475 1.00 0.00 C ATOM 886 NZ LYS A 59 0.113 -7.233 -4.119 1.00 0.00 N ATOM 0 H LYS A 59 -0.858 -0.408 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.270 -3.247 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.052 -2.863 -6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.124 -1.863 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.983 -4.131 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.847 -3.767 -4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.559 -4.842 -4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.169 -5.591 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.918 -6.569 -4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.413 -5.667 -3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.648 -8.099 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.438 -6.954 -3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.532 -7.410 -4.915 1.00 0.00 H new ATOM 900 N ASP A 60 -0.039 -3.317 -2.682 1.00 0.00 N ATOM 901 CA ASP A 60 0.553 -3.433 -1.389 1.00 0.00 C ATOM 902 C ASP A 60 2.049 -3.343 -1.577 1.00 0.00 C ATOM 903 O ASP A 60 2.668 -4.260 -2.109 1.00 0.00 O ATOM 904 CB ASP A 60 0.232 -4.796 -0.835 1.00 0.00 C ATOM 905 CG ASP A 60 -1.150 -5.273 -1.200 1.00 0.00 C ATOM 906 OD1 ASP A 60 -1.296 -5.836 -2.336 1.00 0.00 O ATOM 907 OD2 ASP A 60 -2.061 -5.105 -0.416 1.00 0.00 O ATOM 0 H ASP A 60 -0.558 -4.149 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 60 0.185 -2.658 -0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.966 -5.513 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.326 -4.772 0.251 1.00 0.00 H new ATOM 912 N ALA A 61 2.620 -2.266 -1.169 1.00 0.00 N ATOM 913 CA ALA A 61 4.010 -1.998 -1.423 1.00 0.00 C ATOM 914 C ALA A 61 4.873 -2.316 -0.218 1.00 0.00 C ATOM 915 O ALA A 61 5.995 -1.834 -0.112 1.00 0.00 O ATOM 916 CB ALA A 61 4.167 -0.552 -1.858 1.00 0.00 C ATOM 0 H ALA A 61 2.141 -1.534 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 61 4.354 -2.650 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.219 -0.343 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.589 -0.381 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.806 0.107 -1.068 1.00 0.00 H new ATOM 922 N SER A 62 4.379 -3.194 0.629 1.00 0.00 N ATOM 923 CA SER A 62 5.039 -3.571 1.862 1.00 0.00 C ATOM 924 C SER A 62 6.478 -4.055 1.617 1.00 0.00 C ATOM 925 O SER A 62 7.434 -3.466 2.132 1.00 0.00 O ATOM 926 CB SER A 62 4.238 -4.669 2.520 1.00 0.00 C ATOM 927 OG SER A 62 2.881 -4.287 2.653 1.00 0.00 O ATOM 0 H SER A 62 3.492 -3.674 0.478 1.00 0.00 H new ATOM 0 HA SER A 62 5.096 -2.694 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.308 -5.582 1.928 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.656 -4.893 3.501 1.00 0.00 H new ATOM 0 HG SER A 62 2.345 -5.067 2.906 1.00 0.00 H new ATOM 933 N ARG A 63 6.643 -5.093 0.816 1.00 0.00 N ATOM 934 CA ARG A 63 7.985 -5.596 0.565 1.00 0.00 C ATOM 935 C ARG A 63 8.799 -4.580 -0.259 1.00 0.00 C ATOM 936 O ARG A 63 9.987 -4.395 -0.027 1.00 0.00 O ATOM 937 CB ARG A 63 7.984 -6.931 -0.201 1.00 0.00 C ATOM 938 CG ARG A 63 9.392 -7.507 -0.300 1.00 0.00 C ATOM 939 CD ARG A 63 9.594 -8.439 -1.472 1.00 0.00 C ATOM 940 NE ARG A 63 8.816 -9.672 -1.452 1.00 0.00 N ATOM 941 CZ ARG A 63 8.824 -10.534 -2.490 1.00 0.00 C ATOM 942 NH1 ARG A 63 9.499 -10.224 -3.604 1.00 0.00 N ATOM 943 NH2 ARG A 63 8.189 -11.692 -2.416 1.00 0.00 N ATOM 0 H ARG A 63 5.891 -5.592 0.340 1.00 0.00 H new ATOM 0 HA ARG A 63 8.435 -5.753 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.331 -7.643 0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.578 -6.780 -1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.105 -6.686 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.620 -8.044 0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.354 -7.897 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.651 -8.701 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 63 8.250 -9.889 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.004 -9.340 -3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.508 -10.872 -4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.684 -11.944 -1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.204 -12.333 -3.209 1.00 0.00 H new ATOM 957 N ALA A 64 8.111 -3.848 -1.135 1.00 0.00 N ATOM 958 CA ALA A 64 8.764 -3.023 -2.153 1.00 0.00 C ATOM 959 C ALA A 64 9.464 -1.881 -1.508 1.00 0.00 C ATOM 960 O ALA A 64 10.504 -1.440 -1.956 1.00 0.00 O ATOM 961 CB ALA A 64 7.744 -2.502 -3.146 1.00 0.00 C ATOM 0 H ALA A 64 7.092 -3.809 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 64 9.490 -3.638 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.246 -1.891 -3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.249 -3.342 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.002 -1.898 -2.623 1.00 0.00 H new ATOM 967 N LEU A 65 8.879 -1.412 -0.450 1.00 0.00 N ATOM 968 CA LEU A 65 9.417 -0.348 0.330 1.00 0.00 C ATOM 969 C LEU A 65 10.715 -0.736 1.002 1.00 0.00 C ATOM 970 O LEU A 65 11.681 0.021 0.978 1.00 0.00 O ATOM 971 CB LEU A 65 8.414 0.071 1.359 1.00 0.00 C ATOM 972 CG LEU A 65 7.193 0.827 0.884 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.344 1.204 2.062 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.587 2.060 0.120 1.00 0.00 C ATOM 0 H LEU A 65 7.991 -1.770 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 65 9.635 0.483 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.073 -0.824 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.927 0.691 2.095 1.00 0.00 H new ATOM 0 HG LEU A 65 6.624 0.181 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.465 1.749 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.029 0.302 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.920 1.836 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.691 2.585 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.175 2.715 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.182 1.776 -0.748 1.00 0.00 H new ATOM 986 N GLY A 66 10.744 -1.922 1.577 1.00 0.00 N ATOM 987 CA GLY A 66 11.928 -2.365 2.276 1.00 0.00 C ATOM 988 C GLY A 66 13.051 -2.715 1.331 1.00 0.00 C ATOM 989 O GLY A 66 14.225 -2.677 1.698 1.00 0.00 O ATOM 0 H GLY A 66 9.971 -2.587 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.260 -1.582 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.684 -3.235 2.885 1.00 0.00 H new ATOM 993 N LYS A 67 12.690 -3.055 0.118 1.00 0.00 N ATOM 994 CA LYS A 67 13.661 -3.415 -0.888 1.00 0.00 C ATOM 995 C LYS A 67 14.116 -2.178 -1.636 1.00 0.00 C ATOM 996 O LYS A 67 15.274 -2.069 -2.023 1.00 0.00 O ATOM 997 CB LYS A 67 13.046 -4.382 -1.885 1.00 0.00 C ATOM 998 CG LYS A 67 12.368 -5.606 -1.282 1.00 0.00 C ATOM 999 CD LYS A 67 13.282 -6.439 -0.418 1.00 0.00 C ATOM 1000 CE LYS A 67 14.480 -6.897 -1.173 1.00 0.00 C ATOM 1001 NZ LYS A 67 15.336 -7.779 -0.361 1.00 0.00 N ATOM 0 H LYS A 67 11.721 -3.090 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 67 14.511 -3.884 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.313 -3.841 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.827 -4.720 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.515 -5.282 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.977 -6.228 -2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.597 -5.856 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.737 -7.304 -0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.163 -7.426 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.056 -6.031 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.986 -8.301 -0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.885 -7.207 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.742 -8.453 0.162 1.00 0.00 H new ATOM 1015 N MET A 68 13.167 -1.255 -1.820 1.00 0.00 N ATOM 1016 CA MET A 68 13.324 0.017 -2.545 1.00 0.00 C ATOM 1017 C MET A 68 13.174 -0.233 -4.037 1.00 0.00 C ATOM 1018 O MET A 68 13.566 0.573 -4.892 1.00 0.00 O ATOM 1019 CB MET A 68 14.616 0.783 -2.167 1.00 0.00 C ATOM 1020 CG MET A 68 14.702 1.110 -0.673 1.00 0.00 C ATOM 1021 SD MET A 68 16.129 2.131 -0.218 1.00 0.00 S ATOM 1022 CE MET A 68 15.773 3.643 -1.113 1.00 0.00 C ATOM 0 H MET A 68 12.224 -1.377 -1.452 1.00 0.00 H new ATOM 0 HA MET A 68 12.527 0.693 -2.235 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.482 0.187 -2.453 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.663 1.709 -2.739 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.790 1.625 -0.372 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.742 0.178 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 68 16.081 4.501 -0.515 1.00 0.00 H new ATOM 0 HE2 MET A 68 16.318 3.644 -2.057 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.703 3.705 -1.312 1.00 0.00 H new ATOM 1032 N SER A 69 12.529 -1.348 -4.320 1.00 0.00 N ATOM 1033 CA SER A 69 12.218 -1.801 -5.649 1.00 0.00 C ATOM 1034 C SER A 69 10.850 -1.262 -6.058 1.00 0.00 C ATOM 1035 O SER A 69 10.013 -0.967 -5.195 1.00 0.00 O ATOM 1036 CB SER A 69 12.132 -3.301 -5.605 1.00 0.00 C ATOM 1037 OG SER A 69 13.308 -3.868 -5.064 1.00 0.00 O ATOM 0 H SER A 69 12.197 -1.985 -3.596 1.00 0.00 H new ATOM 0 HA SER A 69 12.977 -1.462 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.272 -3.600 -5.005 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.969 -3.688 -6.611 1.00 0.00 H new ATOM 0 HG SER A 69 13.084 -4.696 -4.589 1.00 0.00 H new ATOM 1043 N LYS A 70 10.615 -1.105 -7.352 1.00 0.00 N ATOM 1044 CA LYS A 70 9.304 -0.651 -7.812 1.00 0.00 C ATOM 1045 C LYS A 70 8.720 -1.632 -8.816 1.00 0.00 C ATOM 1046 O LYS A 70 7.660 -1.400 -9.402 1.00 0.00 O ATOM 1047 CB LYS A 70 9.342 0.771 -8.406 1.00 0.00 C ATOM 1048 CG LYS A 70 9.945 1.836 -7.494 1.00 0.00 C ATOM 1049 CD LYS A 70 11.467 1.830 -7.553 1.00 0.00 C ATOM 1050 CE LYS A 70 12.065 2.896 -6.655 1.00 0.00 C ATOM 1051 NZ LYS A 70 13.544 2.926 -6.728 1.00 0.00 N ATOM 0 H LYS A 70 11.296 -1.280 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 70 8.659 -0.611 -6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.911 0.745 -9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.325 1.068 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.573 2.818 -7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.620 1.664 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.839 0.850 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.792 1.994 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.669 3.871 -6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.758 2.715 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.891 3.840 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.936 2.157 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.845 2.802 -7.716 1.00 0.00 H new ATOM 1065 N ASN A 71 9.407 -2.731 -8.995 1.00 0.00 N ATOM 1066 CA ASN A 71 8.978 -3.785 -9.888 1.00 0.00 C ATOM 1067 C ASN A 71 7.937 -4.633 -9.219 1.00 0.00 C ATOM 1068 O ASN A 71 8.096 -5.053 -8.076 1.00 0.00 O ATOM 1069 CB ASN A 71 10.183 -4.588 -10.425 1.00 0.00 C ATOM 1070 CG ASN A 71 11.107 -5.091 -9.327 1.00 0.00 C ATOM 1071 OD1 ASN A 71 12.008 -4.374 -8.893 1.00 0.00 O ATOM 1072 ND2 ASN A 71 10.940 -6.306 -8.908 1.00 0.00 N ATOM 0 H ASN A 71 10.290 -2.925 -8.522 1.00 0.00 H new ATOM 0 HA ASN A 71 8.507 -3.347 -10.768 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.817 -5.438 -11.000 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.753 -3.961 -11.111 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.565 -6.692 -8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.184 -6.877 -9.286 1.00 0.00 H new ATOM 1079 N GLU A 72 6.900 -4.898 -9.966 1.00 0.00 N ATOM 1080 CA GLU A 72 5.645 -5.477 -9.507 1.00 0.00 C ATOM 1081 C GLU A 72 5.864 -6.838 -8.816 1.00 0.00 C ATOM 1082 O GLU A 72 5.209 -7.146 -7.821 1.00 0.00 O ATOM 1083 CB GLU A 72 4.750 -5.582 -10.749 1.00 0.00 C ATOM 1084 CG GLU A 72 3.252 -5.615 -10.525 1.00 0.00 C ATOM 1085 CD GLU A 72 2.735 -6.851 -9.851 1.00 0.00 C ATOM 1086 OE1 GLU A 72 2.752 -7.925 -10.480 1.00 0.00 O ATOM 1087 OE2 GLU A 72 2.285 -6.769 -8.701 1.00 0.00 O ATOM 0 H GLU A 72 6.898 -4.709 -10.968 1.00 0.00 H new ATOM 0 HA GLU A 72 5.172 -4.855 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.975 -4.737 -11.400 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.030 -6.485 -11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.971 -4.749 -9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.754 -5.511 -11.489 1.00 0.00 H new ATOM 1094 N GLU A 73 6.816 -7.608 -9.305 1.00 0.00 N ATOM 1095 CA GLU A 73 7.133 -8.909 -8.711 1.00 0.00 C ATOM 1096 C GLU A 73 7.722 -8.787 -7.310 1.00 0.00 C ATOM 1097 O GLU A 73 7.626 -9.720 -6.509 1.00 0.00 O ATOM 1098 CB GLU A 73 8.071 -9.707 -9.607 1.00 0.00 C ATOM 1099 CG GLU A 73 7.426 -10.200 -10.884 1.00 0.00 C ATOM 1100 CD GLU A 73 6.325 -11.197 -10.612 1.00 0.00 C ATOM 1101 OE1 GLU A 73 6.633 -12.393 -10.424 1.00 0.00 O ATOM 1102 OE2 GLU A 73 5.153 -10.809 -10.597 1.00 0.00 O ATOM 0 H GLU A 73 7.389 -7.363 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 73 6.187 -9.444 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.930 -9.086 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.450 -10.563 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.020 -9.352 -11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.183 -10.660 -11.519 1.00 0.00 H new ATOM 1109 N ASP A 74 8.298 -7.642 -6.997 1.00 0.00 N ATOM 1110 CA ASP A 74 8.922 -7.468 -5.695 1.00 0.00 C ATOM 1111 C ASP A 74 8.010 -6.629 -4.804 1.00 0.00 C ATOM 1112 O ASP A 74 8.302 -6.373 -3.636 1.00 0.00 O ATOM 1113 CB ASP A 74 10.309 -6.835 -5.842 1.00 0.00 C ATOM 1114 CG ASP A 74 11.173 -6.977 -4.612 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.138 -8.051 -3.979 1.00 0.00 O ATOM 1116 OD2 ASP A 74 11.961 -6.061 -4.322 1.00 0.00 O ATOM 0 H ASP A 74 8.348 -6.830 -7.613 1.00 0.00 H new ATOM 0 HA ASP A 74 9.062 -8.441 -5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.820 -7.293 -6.689 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.193 -5.776 -6.074 1.00 0.00 H new ATOM 1121 N VAL A 75 6.895 -6.194 -5.375 1.00 0.00 N ATOM 1122 CA VAL A 75 5.892 -5.495 -4.618 1.00 0.00 C ATOM 1123 C VAL A 75 4.946 -6.587 -4.074 1.00 0.00 C ATOM 1124 O VAL A 75 4.662 -7.556 -4.785 1.00 0.00 O ATOM 1125 CB VAL A 75 5.116 -4.432 -5.467 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.326 -3.537 -4.573 1.00 0.00 C ATOM 1127 CG2 VAL A 75 6.053 -3.580 -6.297 1.00 0.00 C ATOM 0 H VAL A 75 6.672 -6.318 -6.362 1.00 0.00 H new ATOM 0 HA VAL A 75 6.352 -4.918 -3.816 1.00 0.00 H new ATOM 0 HB VAL A 75 4.455 -4.980 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.791 -2.802 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.610 -4.131 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.999 -3.023 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.474 -2.856 -6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.744 -3.053 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.616 -4.217 -6.979 1.00 0.00 H new ATOM 1137 N SER A 76 4.465 -6.442 -2.850 1.00 0.00 N ATOM 1138 CA SER A 76 3.806 -7.540 -2.140 1.00 0.00 C ATOM 1139 C SER A 76 3.299 -7.027 -0.778 1.00 0.00 C ATOM 1140 O SER A 76 3.938 -6.149 -0.182 1.00 0.00 O ATOM 1141 CB SER A 76 4.845 -8.683 -1.938 1.00 0.00 C ATOM 1142 OG SER A 76 4.279 -9.848 -1.339 1.00 0.00 O ATOM 0 H SER A 76 4.516 -5.572 -2.320 1.00 0.00 H new ATOM 0 HA SER A 76 2.956 -7.916 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.276 -8.950 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.661 -8.319 -1.313 1.00 0.00 H new ATOM 0 HG SER A 76 4.972 -10.533 -1.237 1.00 0.00 H new ATOM 1148 N PRO A 77 2.138 -7.558 -0.278 1.00 0.00 N ATOM 1149 CA PRO A 77 1.528 -7.125 1.008 1.00 0.00 C ATOM 1150 C PRO A 77 2.282 -7.611 2.228 1.00 0.00 C ATOM 1151 O PRO A 77 2.201 -7.013 3.301 1.00 0.00 O ATOM 1152 CB PRO A 77 0.135 -7.769 0.973 1.00 0.00 C ATOM 1153 CG PRO A 77 0.298 -8.972 0.109 1.00 0.00 C ATOM 1154 CD PRO A 77 1.315 -8.602 -0.938 1.00 0.00 C ATOM 0 HA PRO A 77 1.527 -6.038 1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.201 -8.042 1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.608 -7.085 0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.635 -9.828 0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.650 -9.253 -0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.918 -9.461 -1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.839 -8.224 -1.842 1.00 0.00 H new ATOM 1162 N SER A 78 3.014 -8.648 2.049 1.00 0.00 N ATOM 1163 CA SER A 78 3.723 -9.269 3.112 1.00 0.00 C ATOM 1164 C SER A 78 5.080 -8.706 3.208 1.00 0.00 C ATOM 1165 O SER A 78 5.592 -8.065 2.272 1.00 0.00 O ATOM 1166 CB SER A 78 3.834 -10.745 2.821 1.00 0.00 C ATOM 1167 OG SER A 78 4.413 -11.462 3.892 1.00 0.00 O ATOM 0 H SER A 78 3.141 -9.100 1.143 1.00 0.00 H new ATOM 0 HA SER A 78 3.192 -9.099 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.843 -11.147 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.434 -10.892 1.923 1.00 0.00 H new ATOM 0 HG SER A 78 4.463 -12.413 3.660 1.00 0.00 H new ATOM 1173 N LEU A 79 5.676 -8.950 4.329 1.00 0.00 N ATOM 1174 CA LEU A 79 7.004 -8.591 4.542 1.00 0.00 C ATOM 1175 C LEU A 79 7.881 -9.785 4.228 1.00 0.00 C ATOM 1176 O LEU A 79 9.065 -9.784 4.485 1.00 0.00 O ATOM 1177 CB LEU A 79 7.207 -8.050 5.947 1.00 0.00 C ATOM 1178 CG LEU A 79 6.334 -6.835 6.306 1.00 0.00 C ATOM 1179 CD1 LEU A 79 6.810 -6.153 7.583 1.00 0.00 C ATOM 1180 CD2 LEU A 79 6.264 -5.862 5.144 1.00 0.00 C ATOM 0 H LEU A 79 5.231 -9.412 5.122 1.00 0.00 H new ATOM 0 HA LEU A 79 7.289 -7.777 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.004 -8.848 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.255 -7.774 6.067 1.00 0.00 H new ATOM 0 HG LEU A 79 5.325 -7.197 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.167 -5.300 7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.768 -6.861 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.836 -5.810 7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.642 -5.010 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.268 -5.514 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.832 -6.361 4.277 1.00 0.00 H new ATOM 1192 N GLU A 80 7.232 -10.811 3.671 1.00 0.00 N ATOM 1193 CA GLU A 80 7.841 -11.983 3.093 1.00 0.00 C ATOM 1194 C GLU A 80 8.731 -12.728 4.073 1.00 0.00 C ATOM 1195 O GLU A 80 8.262 -13.598 4.813 1.00 0.00 O ATOM 1196 CB GLU A 80 8.586 -11.591 1.816 1.00 0.00 C ATOM 1197 CG GLU A 80 9.067 -12.745 0.994 1.00 0.00 C ATOM 1198 CD GLU A 80 7.927 -13.624 0.536 1.00 0.00 C ATOM 1199 OE1 GLU A 80 7.262 -13.277 -0.465 1.00 0.00 O ATOM 1200 OE2 GLU A 80 7.660 -14.655 1.174 1.00 0.00 O ATOM 0 H GLU A 80 6.214 -10.835 3.615 1.00 0.00 H new ATOM 0 HA GLU A 80 7.050 -12.687 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.929 -10.975 1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.442 -10.973 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.609 -12.371 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.771 -13.338 1.578 1.00 0.00 H new ATOM 1207 N GLY A 81 9.986 -12.373 4.090 1.00 0.00 N ATOM 1208 CA GLY A 81 10.896 -12.936 5.005 1.00 0.00 C ATOM 1209 C GLY A 81 11.972 -11.945 5.323 1.00 0.00 C ATOM 1210 O GLY A 81 13.091 -12.308 5.710 1.00 0.00 O ATOM 0 H GLY A 81 10.392 -11.681 3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.376 -13.227 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.335 -13.841 4.586 1.00 0.00 H new ATOM 1214 N LEU A 82 11.622 -10.683 5.143 1.00 0.00 N ATOM 1215 CA LEU A 82 12.500 -9.566 5.337 1.00 0.00 C ATOM 1216 C LEU A 82 13.034 -9.507 6.740 1.00 0.00 C ATOM 1217 O LEU A 82 12.327 -9.791 7.711 1.00 0.00 O ATOM 1218 CB LEU A 82 11.755 -8.281 4.994 1.00 0.00 C ATOM 1219 CG LEU A 82 11.334 -8.142 3.537 1.00 0.00 C ATOM 1220 CD1 LEU A 82 10.415 -6.965 3.357 1.00 0.00 C ATOM 1221 CD2 LEU A 82 12.531 -7.928 2.704 1.00 0.00 C ATOM 0 H LEU A 82 10.685 -10.410 4.848 1.00 0.00 H new ATOM 0 HA LEU A 82 13.359 -9.685 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.865 -8.219 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.388 -7.433 5.255 1.00 0.00 H new ATOM 0 HG LEU A 82 10.814 -9.053 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.127 -6.885 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.523 -7.103 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.928 -6.053 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.235 -7.828 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.040 -7.019 3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.205 -8.778 2.810 1.00 0.00 H new ATOM 1233 N THR A 83 14.271 -9.151 6.838 1.00 0.00 N ATOM 1234 CA THR A 83 14.922 -9.023 8.092 1.00 0.00 C ATOM 1235 C THR A 83 14.758 -7.574 8.585 1.00 0.00 C ATOM 1236 O THR A 83 14.150 -6.743 7.887 1.00 0.00 O ATOM 1237 CB THR A 83 16.425 -9.429 7.977 1.00 0.00 C ATOM 1238 OG1 THR A 83 17.065 -9.380 9.257 1.00 0.00 O ATOM 1239 CG2 THR A 83 17.169 -8.531 6.993 1.00 0.00 C ATOM 0 H THR A 83 14.864 -8.938 6.036 1.00 0.00 H new ATOM 0 HA THR A 83 14.469 -9.697 8.819 1.00 0.00 H new ATOM 0 HB THR A 83 16.458 -10.452 7.603 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.474 -9.773 9.933 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.213 -8.840 6.936 1.00 0.00 H new ATOM 0 HG22 THR A 83 16.712 -8.614 6.007 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.115 -7.496 7.332 1.00 0.00 H new ATOM 1247 N GLU A 84 15.300 -7.273 9.746 1.00 0.00 N ATOM 1248 CA GLU A 84 15.154 -5.967 10.362 1.00 0.00 C ATOM 1249 C GLU A 84 15.688 -4.839 9.494 1.00 0.00 C ATOM 1250 O GLU A 84 15.058 -3.808 9.396 1.00 0.00 O ATOM 1251 CB GLU A 84 15.755 -5.950 11.755 1.00 0.00 C ATOM 1252 CG GLU A 84 15.037 -6.882 12.707 1.00 0.00 C ATOM 1253 CD GLU A 84 15.622 -6.877 14.089 1.00 0.00 C ATOM 1254 OE1 GLU A 84 15.288 -5.973 14.888 1.00 0.00 O ATOM 1255 OE2 GLU A 84 16.403 -7.784 14.411 1.00 0.00 O ATOM 0 H GLU A 84 15.857 -7.929 10.293 1.00 0.00 H new ATOM 0 HA GLU A 84 14.084 -5.782 10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.806 -6.234 11.697 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.720 -4.935 12.150 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.987 -6.596 12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.071 -7.896 12.308 1.00 0.00 H new ATOM 1262 N LYS A 85 16.820 -5.057 8.847 1.00 0.00 N ATOM 1263 CA LYS A 85 17.414 -4.070 7.920 1.00 0.00 C ATOM 1264 C LYS A 85 16.387 -3.661 6.869 1.00 0.00 C ATOM 1265 O LYS A 85 16.094 -2.474 6.653 1.00 0.00 O ATOM 1266 CB LYS A 85 18.563 -4.730 7.166 1.00 0.00 C ATOM 1267 CG LYS A 85 19.181 -3.842 6.098 1.00 0.00 C ATOM 1268 CD LYS A 85 19.972 -4.653 5.088 1.00 0.00 C ATOM 1269 CE LYS A 85 21.090 -5.464 5.724 1.00 0.00 C ATOM 1270 NZ LYS A 85 21.803 -6.289 4.717 1.00 0.00 N ATOM 0 H LYS A 85 17.363 -5.916 8.939 1.00 0.00 H new ATOM 0 HA LYS A 85 17.747 -3.207 8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.336 -5.018 7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.201 -5.647 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.395 -3.288 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.835 -3.107 6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.296 -5.327 4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.397 -3.981 4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.796 -4.792 6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.677 -6.110 6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.559 -6.830 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.133 -6.946 4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.217 -5.670 3.991 1.00 0.00 H new ATOM 1284 N GLU A 86 15.853 -4.669 6.251 1.00 0.00 N ATOM 1285 CA GLU A 86 14.910 -4.557 5.190 1.00 0.00 C ATOM 1286 C GLU A 86 13.641 -3.890 5.666 1.00 0.00 C ATOM 1287 O GLU A 86 13.179 -2.908 5.093 1.00 0.00 O ATOM 1288 CB GLU A 86 14.568 -5.951 4.750 1.00 0.00 C ATOM 1289 CG GLU A 86 15.727 -6.773 4.211 1.00 0.00 C ATOM 1290 CD GLU A 86 16.340 -6.214 2.960 1.00 0.00 C ATOM 1291 OE1 GLU A 86 15.833 -6.489 1.869 1.00 0.00 O ATOM 1292 OE2 GLU A 86 17.356 -5.522 3.050 1.00 0.00 O ATOM 0 H GLU A 86 16.076 -5.636 6.487 1.00 0.00 H new ATOM 0 HA GLU A 86 15.337 -3.962 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.131 -6.483 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.799 -5.891 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.496 -6.846 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.379 -7.787 4.012 1.00 0.00 H new ATOM 1299 N ILE A 87 13.103 -4.417 6.731 1.00 0.00 N ATOM 1300 CA ILE A 87 11.870 -3.948 7.259 1.00 0.00 C ATOM 1301 C ILE A 87 11.983 -2.505 7.811 1.00 0.00 C ATOM 1302 O ILE A 87 11.078 -1.690 7.602 1.00 0.00 O ATOM 1303 CB ILE A 87 11.305 -4.924 8.297 1.00 0.00 C ATOM 1304 CG1 ILE A 87 10.889 -6.230 7.620 1.00 0.00 C ATOM 1305 CG2 ILE A 87 10.144 -4.323 9.051 1.00 0.00 C ATOM 1306 CD1 ILE A 87 10.341 -7.272 8.573 1.00 0.00 C ATOM 0 H ILE A 87 13.517 -5.189 7.254 1.00 0.00 H new ATOM 0 HA ILE A 87 11.158 -3.904 6.435 1.00 0.00 H new ATOM 0 HB ILE A 87 12.091 -5.135 9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.134 -6.011 6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 87 11.750 -6.647 7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.770 -5.044 9.778 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.474 -3.423 9.570 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.349 -4.068 8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.069 -8.168 8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.100 -7.522 9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.459 -6.876 9.077 1.00 0.00 H new ATOM 1318 N ASN A 88 13.110 -2.184 8.478 1.00 0.00 N ATOM 1319 CA ASN A 88 13.364 -0.798 8.962 1.00 0.00 C ATOM 1320 C ASN A 88 13.285 0.191 7.837 1.00 0.00 C ATOM 1321 O ASN A 88 12.883 1.340 8.025 1.00 0.00 O ATOM 1322 CB ASN A 88 14.716 -0.630 9.676 1.00 0.00 C ATOM 1323 CG ASN A 88 14.682 -0.946 11.171 1.00 0.00 C ATOM 1324 OD1 ASN A 88 14.421 -0.070 11.988 1.00 0.00 O ATOM 1325 ND2 ASN A 88 14.960 -2.164 11.535 1.00 0.00 N ATOM 0 H ASN A 88 13.853 -2.849 8.695 1.00 0.00 H new ATOM 0 HA ASN A 88 12.579 -0.604 9.693 1.00 0.00 H new ATOM 0 HB2 ASN A 88 15.450 -1.278 9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.060 0.396 9.541 1.00 0.00 H new ATOM 0 HD21 ASN A 88 14.965 -2.412 12.524 1.00 0.00 H new ATOM 0 HD22 ASN A 88 15.173 -2.871 10.831 1.00 0.00 H new ATOM 1332 N THR A 89 13.674 -0.246 6.675 1.00 0.00 N ATOM 1333 CA THR A 89 13.604 0.562 5.511 1.00 0.00 C ATOM 1334 C THR A 89 12.131 0.896 5.157 1.00 0.00 C ATOM 1335 O THR A 89 11.807 2.042 4.865 1.00 0.00 O ATOM 1336 CB THR A 89 14.340 -0.119 4.350 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.715 -0.336 4.745 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.308 0.745 3.117 1.00 0.00 C ATOM 0 H THR A 89 14.050 -1.181 6.516 1.00 0.00 H new ATOM 0 HA THR A 89 14.104 1.511 5.707 1.00 0.00 H new ATOM 0 HB THR A 89 13.850 -1.065 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.756 -1.061 5.403 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.836 0.242 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.273 0.920 2.822 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.792 1.699 3.328 1.00 0.00 H new ATOM 1346 N LEU A 90 11.231 -0.087 5.259 1.00 0.00 N ATOM 1347 CA LEU A 90 9.829 0.178 4.952 1.00 0.00 C ATOM 1348 C LEU A 90 9.194 0.982 6.040 1.00 0.00 C ATOM 1349 O LEU A 90 8.351 1.823 5.787 1.00 0.00 O ATOM 1350 CB LEU A 90 8.997 -1.064 4.612 1.00 0.00 C ATOM 1351 CG LEU A 90 7.706 -1.232 5.428 1.00 0.00 C ATOM 1352 CD1 LEU A 90 6.646 -1.829 4.603 1.00 0.00 C ATOM 1353 CD2 LEU A 90 7.937 -2.114 6.625 1.00 0.00 C ATOM 0 H LEU A 90 11.442 -1.044 5.543 1.00 0.00 H new ATOM 0 HA LEU A 90 9.838 0.761 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.737 -1.029 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.618 -1.948 4.758 1.00 0.00 H new ATOM 0 HG LEU A 90 7.400 -0.240 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.740 -1.940 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.442 -1.183 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.969 -2.808 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.008 -2.217 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.272 -3.097 6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.699 -1.668 7.264 1.00 0.00 H new ATOM 1365 N ASN A 91 9.633 0.710 7.261 1.00 0.00 N ATOM 1366 CA ASN A 91 9.225 1.456 8.455 1.00 0.00 C ATOM 1367 C ASN A 91 9.423 2.937 8.232 1.00 0.00 C ATOM 1368 O ASN A 91 8.645 3.775 8.711 1.00 0.00 O ATOM 1369 CB ASN A 91 10.074 1.015 9.654 1.00 0.00 C ATOM 1370 CG ASN A 91 9.611 -0.253 10.371 1.00 0.00 C ATOM 1371 OD1 ASN A 91 8.907 -1.116 9.693 1.00 0.00 O flip ATOM 1372 ND2 ASN A 91 9.872 -0.425 11.565 1.00 0.00 N flip ATOM 0 H ASN A 91 10.291 -0.044 7.458 1.00 0.00 H new ATOM 0 HA ASN A 91 8.172 1.255 8.652 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.098 0.863 9.313 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.097 1.830 10.377 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.425 0.267 12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.535 -1.259 12.046 1.00 0.00 H new ATOM 1379 N ASP A 92 10.443 3.244 7.478 1.00 0.00 N ATOM 1380 CA ASP A 92 10.809 4.619 7.194 1.00 0.00 C ATOM 1381 C ASP A 92 9.827 5.162 6.206 1.00 0.00 C ATOM 1382 O ASP A 92 9.252 6.209 6.423 1.00 0.00 O ATOM 1383 CB ASP A 92 12.218 4.693 6.630 1.00 0.00 C ATOM 1384 CG ASP A 92 12.786 6.087 6.598 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.992 6.677 7.680 1.00 0.00 O ATOM 1386 OD2 ASP A 92 13.056 6.602 5.496 1.00 0.00 O ATOM 0 H ASP A 92 11.050 2.552 7.039 1.00 0.00 H new ATOM 0 HA ASP A 92 10.789 5.207 8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.872 4.057 7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.216 4.288 5.618 1.00 0.00 H new ATOM 1391 N TRP A 93 9.586 4.397 5.141 1.00 0.00 N ATOM 1392 CA TRP A 93 8.641 4.775 4.117 1.00 0.00 C ATOM 1393 C TRP A 93 7.261 4.979 4.670 1.00 0.00 C ATOM 1394 O TRP A 93 6.600 5.948 4.292 1.00 0.00 O ATOM 1395 CB TRP A 93 8.644 3.809 2.949 1.00 0.00 C ATOM 1396 CG TRP A 93 9.887 3.872 2.106 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.969 3.056 2.176 1.00 0.00 C ATOM 1398 CD2 TRP A 93 10.165 4.811 1.056 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.902 3.424 1.243 1.00 0.00 N ATOM 1400 CE2 TRP A 93 11.433 4.495 0.541 1.00 0.00 C ATOM 1401 CE3 TRP A 93 9.463 5.884 0.504 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 12.014 5.217 -0.499 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 10.040 6.596 -0.526 1.00 0.00 C ATOM 1404 CH2 TRP A 93 11.302 6.260 -1.018 1.00 0.00 C ATOM 0 H TRP A 93 10.045 3.502 4.974 1.00 0.00 H new ATOM 0 HA TRP A 93 8.973 5.738 3.729 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.527 2.794 3.330 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.779 4.015 2.318 1.00 0.00 H new ATOM 0 HD1 TRP A 93 11.079 2.234 2.868 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.803 2.970 1.097 1.00 0.00 H new ATOM 0 HE3 TRP A 93 8.485 6.152 0.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.991 4.961 -0.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 9.506 7.428 -0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 93 11.725 6.838 -1.827 1.00 0.00 H new ATOM 1415 N GLU A 94 6.835 4.087 5.586 1.00 0.00 N ATOM 1416 CA GLU A 94 5.556 4.238 6.279 1.00 0.00 C ATOM 1417 C GLU A 94 5.472 5.640 6.813 1.00 0.00 C ATOM 1418 O GLU A 94 4.708 6.431 6.344 1.00 0.00 O ATOM 1419 CB GLU A 94 5.433 3.261 7.470 1.00 0.00 C ATOM 1420 CG GLU A 94 5.448 1.800 7.107 1.00 0.00 C ATOM 1421 CD GLU A 94 5.232 0.894 8.297 1.00 0.00 C ATOM 1422 OE1 GLU A 94 4.059 0.726 8.717 1.00 0.00 O ATOM 1423 OE2 GLU A 94 6.218 0.329 8.831 1.00 0.00 O ATOM 0 H GLU A 94 7.363 3.258 5.858 1.00 0.00 H new ATOM 0 HA GLU A 94 4.755 4.024 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.251 3.455 8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.506 3.477 8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.673 1.608 6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.403 1.557 6.641 1.00 0.00 H new ATOM 1430 N THR A 95 6.355 5.918 7.734 1.00 0.00 N ATOM 1431 CA THR A 95 6.508 7.188 8.437 1.00 0.00 C ATOM 1432 C THR A 95 6.444 8.401 7.501 1.00 0.00 C ATOM 1433 O THR A 95 5.813 9.421 7.820 1.00 0.00 O ATOM 1434 CB THR A 95 7.892 7.209 9.128 1.00 0.00 C ATOM 1435 OG1 THR A 95 8.032 6.041 9.970 1.00 0.00 O ATOM 1436 CG2 THR A 95 8.051 8.456 9.988 1.00 0.00 C ATOM 0 H THR A 95 7.037 5.225 8.042 1.00 0.00 H new ATOM 0 HA THR A 95 5.684 7.260 9.147 1.00 0.00 H new ATOM 0 HB THR A 95 8.659 7.211 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.591 5.376 9.517 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.032 8.448 10.463 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.958 9.344 9.362 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.277 8.470 10.755 1.00 0.00 H new ATOM 1444 N LYS A 96 7.065 8.275 6.355 1.00 0.00 N ATOM 1445 CA LYS A 96 7.214 9.373 5.468 1.00 0.00 C ATOM 1446 C LYS A 96 5.918 9.622 4.763 1.00 0.00 C ATOM 1447 O LYS A 96 5.462 10.750 4.648 1.00 0.00 O ATOM 1448 CB LYS A 96 8.390 9.131 4.523 1.00 0.00 C ATOM 1449 CG LYS A 96 9.700 8.887 5.291 1.00 0.00 C ATOM 1450 CD LYS A 96 10.898 8.751 4.403 1.00 0.00 C ATOM 1451 CE LYS A 96 10.865 7.481 3.588 1.00 0.00 C ATOM 1452 NZ LYS A 96 12.062 7.345 2.744 1.00 0.00 N ATOM 0 H LYS A 96 7.477 7.403 6.022 1.00 0.00 H new ATOM 0 HA LYS A 96 7.453 10.282 6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.175 8.271 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.510 9.991 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.864 9.712 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.597 7.982 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.950 9.609 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.802 8.766 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.791 6.622 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.974 7.475 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.903 6.602 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.253 8.248 2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.877 7.089 3.337 1.00 0.00 H new ATOM 1466 N PHE A 97 5.298 8.551 4.341 1.00 0.00 N ATOM 1467 CA PHE A 97 4.019 8.609 3.706 1.00 0.00 C ATOM 1468 C PHE A 97 2.921 8.935 4.711 1.00 0.00 C ATOM 1469 O PHE A 97 1.982 9.654 4.396 1.00 0.00 O ATOM 1470 CB PHE A 97 3.722 7.315 2.984 1.00 0.00 C ATOM 1471 CG PHE A 97 4.539 7.088 1.733 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.510 8.009 0.697 1.00 0.00 C ATOM 1473 CD2 PHE A 97 5.315 5.955 1.584 1.00 0.00 C ATOM 1474 CE1 PHE A 97 5.238 7.803 -0.457 1.00 0.00 C ATOM 1475 CE2 PHE A 97 6.047 5.744 0.434 1.00 0.00 C ATOM 1476 CZ PHE A 97 6.009 6.669 -0.588 1.00 0.00 C ATOM 0 H PHE A 97 5.675 7.608 4.432 1.00 0.00 H new ATOM 0 HA PHE A 97 4.045 9.412 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.894 6.485 3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.665 7.297 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.909 8.901 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.349 5.224 2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.203 8.529 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.650 4.854 0.334 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.582 6.505 -1.489 1.00 0.00 H new ATOM 1486 N GLU A 98 3.087 8.436 5.927 1.00 0.00 N ATOM 1487 CA GLU A 98 2.181 8.653 7.070 1.00 0.00 C ATOM 1488 C GLU A 98 1.947 10.124 7.377 1.00 0.00 C ATOM 1489 O GLU A 98 0.957 10.479 8.015 1.00 0.00 O ATOM 1490 CB GLU A 98 2.712 7.954 8.338 1.00 0.00 C ATOM 1491 CG GLU A 98 2.582 6.452 8.386 1.00 0.00 C ATOM 1492 CD GLU A 98 2.951 5.934 9.735 1.00 0.00 C ATOM 1493 OE1 GLU A 98 2.087 5.927 10.630 1.00 0.00 O ATOM 1494 OE2 GLU A 98 4.097 5.541 9.941 1.00 0.00 O ATOM 0 H GLU A 98 3.884 7.845 6.165 1.00 0.00 H new ATOM 0 HA GLU A 98 1.226 8.218 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.766 8.209 8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.189 8.369 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.559 6.163 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.225 6.002 7.630 1.00 0.00 H new ATOM 1501 N ALA A 99 2.833 10.979 6.910 1.00 0.00 N ATOM 1502 CA ALA A 99 2.759 12.374 7.230 1.00 0.00 C ATOM 1503 C ALA A 99 1.904 13.082 6.216 1.00 0.00 C ATOM 1504 O ALA A 99 1.593 14.262 6.356 1.00 0.00 O ATOM 1505 CB ALA A 99 4.150 12.975 7.274 1.00 0.00 C ATOM 0 H ALA A 99 3.613 10.723 6.305 1.00 0.00 H new ATOM 0 HA ALA A 99 2.305 12.494 8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.081 14.035 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.743 12.466 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.628 12.857 6.302 1.00 0.00 H new ATOM 1511 N LYS A 100 1.512 12.359 5.191 1.00 0.00 N ATOM 1512 CA LYS A 100 0.704 12.931 4.158 1.00 0.00 C ATOM 1513 C LYS A 100 -0.537 12.112 3.935 1.00 0.00 C ATOM 1514 O LYS A 100 -1.645 12.637 3.877 1.00 0.00 O ATOM 1515 CB LYS A 100 1.462 13.063 2.829 1.00 0.00 C ATOM 1516 CG LYS A 100 2.665 14.002 2.813 1.00 0.00 C ATOM 1517 CD LYS A 100 3.914 13.309 3.274 1.00 0.00 C ATOM 1518 CE LYS A 100 4.332 12.219 2.285 1.00 0.00 C ATOM 1519 NZ LYS A 100 4.707 12.758 0.959 1.00 0.00 N ATOM 0 H LYS A 100 1.744 11.375 5.058 1.00 0.00 H new ATOM 0 HA LYS A 100 0.433 13.931 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.802 12.071 2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.758 13.400 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.813 14.387 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.466 14.860 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.719 14.036 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.748 12.869 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.175 11.665 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.512 11.510 2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.185 12.018 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.851 13.068 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.348 13.567 1.082 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.356 10.831 3.819 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.441 9.947 3.515 1.00 0.00 C ATOM 1535 C TYR A 101 -2.051 9.366 4.771 1.00 0.00 C ATOM 1536 O TYR A 101 -1.335 8.943 5.693 1.00 0.00 O ATOM 1537 CB TYR A 101 -0.989 8.840 2.571 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.385 9.358 1.292 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -0.995 10.387 0.585 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.795 8.829 0.795 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.446 10.878 -0.570 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.351 9.307 -0.368 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.719 10.343 -1.048 1.00 0.00 C ATOM 1544 OH TYR A 101 1.273 10.859 -2.193 1.00 0.00 O ATOM 0 H TYR A 101 0.547 10.369 3.932 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.212 10.532 3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.259 8.212 3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -1.842 8.206 2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -1.919 10.808 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.286 8.029 1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.931 11.684 -1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.268 8.883 -0.749 1.00 0.00 H new ATOM 0 HH TYR A 101 2.247 10.757 -2.160 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.378 9.377 4.847 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.103 8.829 5.966 1.00 0.00 C ATOM 1556 C PRO A 102 -4.337 7.329 5.810 1.00 0.00 C ATOM 1557 O PRO A 102 -4.622 6.833 4.703 1.00 0.00 O ATOM 1558 CB PRO A 102 -5.438 9.568 5.877 1.00 0.00 C ATOM 1559 CG PRO A 102 -5.659 9.724 4.416 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.295 9.961 3.833 1.00 0.00 C ATOM 0 HA PRO A 102 -3.574 8.949 6.912 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.242 9.000 6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.395 10.534 6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.119 8.832 3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.327 10.559 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.183 9.475 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.102 11.023 3.682 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.208 6.614 6.886 1.00 0.00 N ATOM 1569 CA VAL A 103 -4.522 5.209 6.876 1.00 0.00 C ATOM 1570 C VAL A 103 -6.025 5.076 6.968 1.00 0.00 C ATOM 1571 O VAL A 103 -6.635 5.438 7.982 1.00 0.00 O ATOM 1572 CB VAL A 103 -3.857 4.416 8.037 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.206 2.936 7.938 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -2.354 4.590 8.020 1.00 0.00 C ATOM 0 H VAL A 103 -3.888 6.976 7.784 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.127 4.781 5.954 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.242 4.812 8.977 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.733 2.395 8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.287 2.812 7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.848 2.540 6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.913 4.026 8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.956 4.224 7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.109 5.646 8.132 1.00 0.00 H new ATOM 1584 N VAL A 104 -6.618 4.603 5.918 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.059 4.475 5.854 1.00 0.00 C ATOM 1586 C VAL A 104 -8.531 3.052 6.156 1.00 0.00 C ATOM 1587 O VAL A 104 -9.734 2.776 6.163 1.00 0.00 O ATOM 1588 CB VAL A 104 -8.637 4.973 4.502 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.397 6.471 4.351 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.004 4.227 3.336 1.00 0.00 C ATOM 0 H VAL A 104 -6.129 4.293 5.078 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.450 5.124 6.637 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.709 4.778 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.806 6.811 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -8.887 7.002 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.326 6.672 4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.424 4.593 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.927 4.393 3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.207 3.161 3.433 1.00 0.00 H new ATOM 1600 N GLY A 105 -7.597 2.158 6.410 1.00 0.00 N ATOM 1601 CA GLY A 105 -7.978 0.821 6.765 1.00 0.00 C ATOM 1602 C GLY A 105 -6.847 -0.171 6.701 1.00 0.00 C ATOM 1603 O GLY A 105 -5.673 0.201 6.725 1.00 0.00 O ATOM 0 H GLY A 105 -6.593 2.334 6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.388 0.826 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.776 0.492 6.099 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.213 -1.421 6.598 1.00 0.00 N ATOM 1608 CA ARG A 106 -6.281 -2.537 6.567 1.00 0.00 C ATOM 1609 C ARG A 106 -6.268 -3.166 5.222 1.00 0.00 C ATOM 1610 O ARG A 106 -7.209 -3.005 4.431 1.00 0.00 O ATOM 1611 CB ARG A 106 -6.735 -3.668 7.500 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.171 -4.065 7.286 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.472 -5.417 7.851 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.165 -5.580 9.265 1.00 0.00 N ATOM 1615 CZ ARG A 106 -8.481 -6.676 9.968 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -9.240 -7.641 9.415 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -8.075 -6.793 11.222 1.00 0.00 N ATOM 0 H ARG A 106 -8.190 -1.707 6.531 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.313 -2.127 6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.096 -4.538 7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.601 -3.354 8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.824 -3.325 7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.392 -4.061 6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.530 -5.630 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.912 -6.162 7.286 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.684 -4.820 9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.577 -7.539 8.458 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.478 -8.474 9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.523 -6.050 11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.314 -7.626 11.760 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.242 -3.904 4.971 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.240 -4.764 3.862 1.00 0.00 C ATOM 1633 C VAL A 107 -5.077 -6.168 4.404 1.00 0.00 C ATOM 1634 O VAL A 107 -4.328 -6.394 5.365 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.175 -4.454 2.792 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -2.785 -4.735 3.280 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -4.480 -5.228 1.549 1.00 0.00 C ATOM 0 H VAL A 107 -4.390 -3.921 5.532 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.180 -4.630 3.327 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.213 -3.388 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.069 -4.502 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.575 -4.120 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.699 -5.788 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.728 -5.010 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.471 -6.295 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.464 -4.944 1.176 1.00 0.00 H new ATOM 1647 N VAL A 108 -5.801 -7.063 3.862 1.00 0.00 N ATOM 1648 CA VAL A 108 -5.815 -8.404 4.306 1.00 0.00 C ATOM 1649 C VAL A 108 -5.449 -9.301 3.174 1.00 0.00 C ATOM 1650 O VAL A 108 -5.768 -9.015 2.017 1.00 0.00 O ATOM 1651 CB VAL A 108 -7.202 -8.775 4.898 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -7.470 -7.877 6.024 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.289 -8.527 3.925 1.00 0.00 C ATOM 0 H VAL A 108 -6.421 -6.882 3.073 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.082 -8.529 5.103 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.177 -9.828 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.440 -8.117 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.694 -7.999 6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.475 -6.845 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.246 -8.797 4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.301 -7.471 3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.122 -9.129 3.032 1.00 0.00 H new ATOM 1663 N SER A 109 -4.753 -10.329 3.471 1.00 0.00 N ATOM 1664 CA SER A 109 -4.330 -11.220 2.472 1.00 0.00 C ATOM 1665 C SER A 109 -4.291 -12.632 3.043 1.00 0.00 C ATOM 1666 O SER A 109 -3.211 -13.097 3.458 1.00 0.00 O ATOM 1667 CB SER A 109 -2.968 -10.744 1.949 1.00 0.00 C ATOM 1668 OG SER A 109 -2.007 -10.685 2.996 1.00 0.00 O ATOM 1669 OXT SER A 109 -5.357 -13.254 3.153 1.00 0.00 O ATOM 0 H SER A 109 -4.461 -10.575 4.417 1.00 0.00 H new ATOM 0 HA SER A 109 -5.021 -11.240 1.630 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.619 -11.420 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.074 -9.759 1.493 1.00 0.00 H new ATOM 0 HG SER A 109 -2.091 -11.481 3.562 1.00 0.00 H new TER 1675 SER A 109