USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 717 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 45 THR OG1 : rot 1:sc= 0.925! USER MOD Set 1.2: A 48 SER OG : rot -30:sc= 0.963 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0354 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.686 X(o=-0.69,f=-0.33) USER MOD Single : A 10 THR OG1 : rot -130:sc= -0.475 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 30:sc= -0.538 USER MOD Single : A 16 ASN : amide:sc= -0.0283 X(o=-0.028,f=-0.38) USER MOD Single : A 20 ASN : amide:sc= -0.0331 K(o=-0.033,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.103 F(o=-0.99,f=-0.1) USER MOD Single : A 34 SER OG : rot -51:sc= 1.09 USER MOD Single : A 36 ASN : amide:sc= -0.385 K(o=-0.39,f=-1.2!) USER MOD Single : A 37 CYS SG : rot 97:sc= 0.685 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 25:sc= 0.885 USER MOD Single : A 47 CYS SG : rot 180:sc= 0.139 USER MOD Single : A 55 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.6) USER MOD Single : A 56 GLN : amide:sc=-0.00303 K(o=-0.003,f=-0.82) USER MOD Single : A 58 SER OG : rot -150:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -2.1 K(o=-2.1,f=-5.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -117:sc= -3.31! (180deg=-5.43!) USER MOD Single : A 68 ASN : amide:sc= -0.0711 X(o=-0.071,f=-0.27) USER MOD Single : A 74 ASN : amide:sc= 0.223 X(o=0.22,f=-0.07) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.0471 X(o=-0.047,f=0) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -57:sc= 0.0486 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.506 29.033 8.099 1.00 0.00 N ATOM 2 CA GLY A 1 4.950 29.239 6.774 1.00 0.00 C ATOM 3 C GLY A 1 5.132 28.033 5.875 1.00 0.00 C ATOM 4 O GLY A 1 5.218 26.901 6.352 1.00 0.00 O ATOM 0 H1 GLY A 1 4.792 29.274 8.816 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.784 28.037 8.208 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.341 29.641 8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.888 29.467 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.425 30.106 6.315 1.00 0.00 H new ATOM 8 N SER A 2 5.188 28.273 4.569 1.00 0.00 N ATOM 9 CA SER A 2 5.355 27.197 3.600 1.00 0.00 C ATOM 10 C SER A 2 6.754 27.226 2.991 1.00 0.00 C ATOM 11 O SER A 2 7.046 28.042 2.117 1.00 0.00 O ATOM 12 CB SER A 2 4.303 27.309 2.495 1.00 0.00 C ATOM 13 OG SER A 2 4.295 26.150 1.679 1.00 0.00 O ATOM 0 H SER A 2 5.120 29.204 4.158 1.00 0.00 H new ATOM 0 HA SER A 2 5.224 26.249 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.318 27.451 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.506 28.187 1.883 1.00 0.00 H new ATOM 0 HG SER A 2 3.613 26.246 0.982 1.00 0.00 H new ATOM 19 N SER A 3 7.615 26.329 3.460 1.00 0.00 N ATOM 20 CA SER A 3 8.985 26.253 2.966 1.00 0.00 C ATOM 21 C SER A 3 9.128 25.142 1.929 1.00 0.00 C ATOM 22 O SER A 3 10.107 24.397 1.932 1.00 0.00 O ATOM 23 CB SER A 3 9.955 26.013 4.124 1.00 0.00 C ATOM 24 OG SER A 3 9.740 24.742 4.714 1.00 0.00 O ATOM 0 H SER A 3 7.388 25.645 4.181 1.00 0.00 H new ATOM 0 HA SER A 3 9.227 27.204 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.981 26.081 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.829 26.792 4.876 1.00 0.00 H new ATOM 0 HG SER A 3 10.373 24.612 5.450 1.00 0.00 H new ATOM 30 N GLY A 4 8.142 25.038 1.043 1.00 0.00 N ATOM 31 CA GLY A 4 8.176 24.017 0.012 1.00 0.00 C ATOM 32 C GLY A 4 7.069 22.993 0.175 1.00 0.00 C ATOM 33 O GLY A 4 6.956 22.352 1.219 1.00 0.00 O ATOM 0 H GLY A 4 7.321 25.642 1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.089 24.490 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.141 23.511 0.037 1.00 0.00 H new ATOM 37 N SER A 5 6.250 22.841 -0.861 1.00 0.00 N ATOM 38 CA SER A 5 5.143 21.892 -0.827 1.00 0.00 C ATOM 39 C SER A 5 5.429 20.691 -1.724 1.00 0.00 C ATOM 40 O SER A 5 5.438 19.549 -1.266 1.00 0.00 O ATOM 41 CB SER A 5 3.846 22.573 -1.265 1.00 0.00 C ATOM 42 OG SER A 5 3.407 23.508 -0.295 1.00 0.00 O ATOM 0 H SER A 5 6.332 23.362 -1.734 1.00 0.00 H new ATOM 0 HA SER A 5 5.031 21.539 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.001 23.079 -2.218 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.073 21.821 -1.426 1.00 0.00 H new ATOM 0 HG SER A 5 2.577 23.931 -0.600 1.00 0.00 H new ATOM 48 N SER A 6 5.663 20.960 -3.004 1.00 0.00 N ATOM 49 CA SER A 6 5.945 19.902 -3.968 1.00 0.00 C ATOM 50 C SER A 6 7.417 19.503 -3.920 1.00 0.00 C ATOM 51 O SER A 6 8.266 20.143 -4.538 1.00 0.00 O ATOM 52 CB SER A 6 5.575 20.358 -5.381 1.00 0.00 C ATOM 53 OG SER A 6 4.240 20.833 -5.430 1.00 0.00 O ATOM 0 H SER A 6 5.663 21.901 -3.398 1.00 0.00 H new ATOM 0 HA SER A 6 5.341 19.034 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.257 21.145 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.695 19.528 -6.078 1.00 0.00 H new ATOM 0 HG SER A 6 4.028 21.120 -6.343 1.00 0.00 H new ATOM 59 N GLY A 7 7.711 18.438 -3.179 1.00 0.00 N ATOM 60 CA GLY A 7 9.080 17.970 -3.063 1.00 0.00 C ATOM 61 C GLY A 7 9.242 16.914 -1.988 1.00 0.00 C ATOM 62 O GLY A 7 9.723 15.813 -2.258 1.00 0.00 O ATOM 0 H GLY A 7 7.026 17.892 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.404 17.562 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.732 18.815 -2.840 1.00 0.00 H new ATOM 66 N CYS A 8 8.842 17.249 -0.767 1.00 0.00 N ATOM 67 CA CYS A 8 8.947 16.321 0.354 1.00 0.00 C ATOM 68 C CYS A 8 7.894 15.223 0.252 1.00 0.00 C ATOM 69 O CYS A 8 6.693 15.496 0.267 1.00 0.00 O ATOM 70 CB CYS A 8 8.795 17.069 1.679 1.00 0.00 C ATOM 71 SG CYS A 8 9.611 16.266 3.079 1.00 0.00 S ATOM 0 H CYS A 8 8.442 18.156 -0.527 1.00 0.00 H new ATOM 0 HA CYS A 8 9.933 15.858 0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.200 18.075 1.565 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.734 17.176 1.904 1.00 0.00 H new ATOM 0 HG CYS A 8 9.428 16.975 4.153 1.00 0.00 H new ATOM 77 N HIS A 9 8.351 13.979 0.146 1.00 0.00 N ATOM 78 CA HIS A 9 7.448 12.839 0.040 1.00 0.00 C ATOM 79 C HIS A 9 6.628 12.675 1.317 1.00 0.00 C ATOM 80 O HIS A 9 7.094 12.991 2.412 1.00 0.00 O ATOM 81 CB HIS A 9 8.237 11.560 -0.241 1.00 0.00 C ATOM 82 CG HIS A 9 8.436 11.287 -1.700 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.469 11.832 -2.433 1.00 0.00 N ATOM 84 CD2 HIS A 9 7.729 10.520 -2.562 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.387 11.414 -3.684 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.339 10.615 -3.788 1.00 0.00 N ATOM 0 H HIS A 9 9.341 13.735 0.131 1.00 0.00 H new ATOM 0 HA HIS A 9 6.765 13.024 -0.789 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.211 11.630 0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.717 10.715 0.211 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.848 9.940 -2.329 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.061 11.680 -4.485 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.033 10.146 -4.640 1.00 0.00 H new ATOM 94 N THR A 10 5.404 12.178 1.168 1.00 0.00 N ATOM 95 CA THR A 10 4.519 11.974 2.308 1.00 0.00 C ATOM 96 C THR A 10 4.149 10.503 2.460 1.00 0.00 C ATOM 97 O THR A 10 3.332 9.976 1.704 1.00 0.00 O ATOM 98 CB THR A 10 3.228 12.805 2.173 1.00 0.00 C ATOM 99 OG1 THR A 10 3.552 14.191 2.018 1.00 0.00 O ATOM 100 CG2 THR A 10 2.336 12.621 3.392 1.00 0.00 C ATOM 0 H THR A 10 5.003 11.909 0.269 1.00 0.00 H new ATOM 0 HA THR A 10 5.063 12.303 3.193 1.00 0.00 H new ATOM 0 HB THR A 10 2.689 12.457 1.292 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.027 14.723 2.652 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.431 13.217 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.067 11.569 3.491 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.870 12.945 4.286 1.00 0.00 H new ATOM 108 N LEU A 11 4.753 9.845 3.443 1.00 0.00 N ATOM 109 CA LEU A 11 4.487 8.433 3.695 1.00 0.00 C ATOM 110 C LEU A 11 3.266 8.261 4.593 1.00 0.00 C ATOM 111 O LEU A 11 3.000 9.092 5.463 1.00 0.00 O ATOM 112 CB LEU A 11 5.705 7.771 4.340 1.00 0.00 C ATOM 113 CG LEU A 11 7.033 7.946 3.603 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.192 7.969 4.588 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.224 6.837 2.578 1.00 0.00 C ATOM 0 H LEU A 11 5.430 10.266 4.079 1.00 0.00 H new ATOM 0 HA LEU A 11 4.283 7.951 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.817 8.168 5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.504 6.704 4.438 1.00 0.00 H new ATOM 0 HG LEU A 11 7.011 8.900 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.129 8.094 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.062 8.798 5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.217 7.031 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.174 6.977 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.224 5.871 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.410 6.867 1.853 1.00 0.00 H new ATOM 127 N LEU A 12 2.527 7.179 4.378 1.00 0.00 N ATOM 128 CA LEU A 12 1.334 6.896 5.170 1.00 0.00 C ATOM 129 C LEU A 12 1.558 5.693 6.080 1.00 0.00 C ATOM 130 O LEU A 12 2.340 4.797 5.762 1.00 0.00 O ATOM 131 CB LEU A 12 0.138 6.640 4.252 1.00 0.00 C ATOM 132 CG LEU A 12 -0.455 7.870 3.564 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.785 7.527 2.910 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.627 9.008 4.560 1.00 0.00 C ATOM 0 H LEU A 12 2.732 6.482 3.662 1.00 0.00 H new ATOM 0 HA LEU A 12 1.126 7.766 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.441 5.929 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.648 6.161 4.837 1.00 0.00 H new ATOM 0 HG LEU A 12 0.236 8.195 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.192 8.415 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.634 6.745 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.484 7.176 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.050 9.875 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.297 8.693 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.343 9.272 4.982 1.00 0.00 H new ATOM 146 N TYR A 13 0.864 5.678 7.213 1.00 0.00 N ATOM 147 CA TYR A 13 0.986 4.585 8.170 1.00 0.00 C ATOM 148 C TYR A 13 -0.350 3.874 8.359 1.00 0.00 C ATOM 149 O TYR A 13 -1.315 4.460 8.851 1.00 0.00 O ATOM 150 CB TYR A 13 1.491 5.111 9.515 1.00 0.00 C ATOM 151 CG TYR A 13 2.825 5.818 9.426 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.717 5.535 8.399 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.192 6.771 10.369 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.937 6.178 8.315 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.409 7.420 10.292 1.00 0.00 C ATOM 156 CZ TYR A 13 5.278 7.120 9.263 1.00 0.00 C ATOM 157 OH TYR A 13 6.492 7.763 9.182 1.00 0.00 O ATOM 0 H TYR A 13 0.211 6.411 7.491 1.00 0.00 H new ATOM 0 HA TYR A 13 1.705 3.868 7.774 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.752 5.798 9.928 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.577 4.278 10.213 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.452 4.800 7.654 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.514 7.008 11.176 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.620 5.944 7.512 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.679 8.158 11.033 1.00 0.00 H new ATOM 0 HH TYR A 13 6.577 8.397 9.925 1.00 0.00 H new ATOM 167 N VAL A 14 -0.399 2.605 7.964 1.00 0.00 N ATOM 168 CA VAL A 14 -1.615 1.812 8.091 1.00 0.00 C ATOM 169 C VAL A 14 -1.543 0.885 9.299 1.00 0.00 C ATOM 170 O VAL A 14 -0.472 0.394 9.656 1.00 0.00 O ATOM 171 CB VAL A 14 -1.871 0.970 6.827 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.230 0.292 6.902 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.766 1.836 5.581 1.00 0.00 C ATOM 0 H VAL A 14 0.390 2.105 7.554 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.438 2.514 8.224 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.108 0.194 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.392 -0.298 6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.263 -0.361 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.010 1.049 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.950 1.225 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.506 2.635 5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.767 2.269 5.522 1.00 0.00 H new ATOM 183 N TYR A 15 -2.691 0.649 9.926 1.00 0.00 N ATOM 184 CA TYR A 15 -2.758 -0.219 11.096 1.00 0.00 C ATOM 185 C TYR A 15 -4.010 -1.089 11.057 1.00 0.00 C ATOM 186 O TYR A 15 -4.881 -0.906 10.208 1.00 0.00 O ATOM 187 CB TYR A 15 -2.743 0.617 12.377 1.00 0.00 C ATOM 188 CG TYR A 15 -1.639 1.648 12.415 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.835 2.924 11.902 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.398 1.346 12.964 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.828 3.870 11.934 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.614 2.286 13.002 1.00 0.00 C ATOM 193 CZ TYR A 15 0.395 3.546 12.485 1.00 0.00 C ATOM 194 OH TYR A 15 1.400 4.485 12.520 1.00 0.00 O ATOM 0 H TYR A 15 -3.587 1.046 9.644 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.885 -0.871 11.085 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.703 1.122 12.483 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.637 -0.048 13.234 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.791 3.181 11.471 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.222 0.360 13.368 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.997 4.857 11.530 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.572 2.036 13.434 1.00 0.00 H new ATOM 0 HH TYR A 15 1.008 5.381 12.584 1.00 0.00 H new ATOM 204 N ASN A 16 -4.093 -2.037 11.985 1.00 0.00 N ATOM 205 CA ASN A 16 -5.238 -2.938 12.059 1.00 0.00 C ATOM 206 C ASN A 16 -5.382 -3.741 10.770 1.00 0.00 C ATOM 207 O ASN A 16 -6.454 -3.777 10.164 1.00 0.00 O ATOM 208 CB ASN A 16 -6.519 -2.145 12.325 1.00 0.00 C ATOM 209 CG ASN A 16 -6.754 -1.906 13.804 1.00 0.00 C ATOM 210 OD1 ASN A 16 -5.962 -1.238 14.469 1.00 0.00 O ATOM 211 ND2 ASN A 16 -7.847 -2.451 14.325 1.00 0.00 N ATOM 0 H ASN A 16 -3.381 -2.201 12.696 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.071 -3.633 12.882 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.463 -1.186 11.809 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.370 -2.683 11.907 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.058 -2.324 15.315 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.475 -2.997 13.736 1.00 0.00 H new ATOM 218 N LEU A 17 -4.296 -4.384 10.356 1.00 0.00 N ATOM 219 CA LEU A 17 -4.300 -5.189 9.139 1.00 0.00 C ATOM 220 C LEU A 17 -4.704 -6.629 9.439 1.00 0.00 C ATOM 221 O LEU A 17 -4.529 -7.130 10.550 1.00 0.00 O ATOM 222 CB LEU A 17 -2.920 -5.161 8.481 1.00 0.00 C ATOM 223 CG LEU A 17 -2.620 -3.948 7.600 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.119 -3.780 7.416 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.313 -4.082 6.253 1.00 0.00 C ATOM 0 H LEU A 17 -3.401 -4.364 10.845 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.032 -4.762 8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.165 -5.211 9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.810 -6.061 7.875 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.006 -3.058 8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.925 -2.912 6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.647 -3.636 8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.709 -4.671 6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.088 -3.210 5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.958 -4.981 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.390 -4.152 6.403 1.00 0.00 H new ATOM 237 N PRO A 18 -5.257 -7.312 8.426 1.00 0.00 N ATOM 238 CA PRO A 18 -5.695 -8.705 8.557 1.00 0.00 C ATOM 239 C PRO A 18 -4.523 -9.670 8.697 1.00 0.00 C ATOM 240 O PRO A 18 -4.068 -10.255 7.715 1.00 0.00 O ATOM 241 CB PRO A 18 -6.448 -8.964 7.249 1.00 0.00 C ATOM 242 CG PRO A 18 -5.862 -7.999 6.277 1.00 0.00 C ATOM 243 CD PRO A 18 -5.497 -6.778 7.075 1.00 0.00 C ATOM 0 HA PRO A 18 -6.299 -8.860 9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.317 -9.993 6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.519 -8.803 7.370 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.985 -8.422 5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.577 -7.753 5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.611 -6.286 6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.300 -6.041 7.071 1.00 0.00 H new ATOM 251 N ALA A 19 -4.041 -9.832 9.925 1.00 0.00 N ATOM 252 CA ALA A 19 -2.923 -10.729 10.194 1.00 0.00 C ATOM 253 C ALA A 19 -3.151 -12.096 9.559 1.00 0.00 C ATOM 254 O ALA A 19 -2.329 -12.573 8.778 1.00 0.00 O ATOM 255 CB ALA A 19 -2.710 -10.871 11.694 1.00 0.00 C ATOM 0 H ALA A 19 -4.407 -9.354 10.749 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.027 -10.296 9.750 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.873 -11.543 11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.494 -9.893 12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.611 -11.278 12.153 1.00 0.00 H new ATOM 261 N ASN A 20 -4.273 -12.722 9.899 1.00 0.00 N ATOM 262 CA ASN A 20 -4.609 -14.036 9.362 1.00 0.00 C ATOM 263 C ASN A 20 -4.382 -14.082 7.854 1.00 0.00 C ATOM 264 O ASN A 20 -3.800 -15.032 7.331 1.00 0.00 O ATOM 265 CB ASN A 20 -6.064 -14.384 9.682 1.00 0.00 C ATOM 266 CG ASN A 20 -6.347 -15.868 9.546 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.482 -16.703 9.811 1.00 0.00 O ATOM 268 ND2 ASN A 20 -7.563 -16.203 9.131 1.00 0.00 N ATOM 0 H ASN A 20 -4.965 -12.341 10.544 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.955 -14.771 9.832 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.296 -14.064 10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.723 -13.829 9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.811 -17.186 9.021 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.249 -15.477 8.923 1.00 0.00 H new ATOM 275 N LYS A 21 -4.846 -13.047 7.161 1.00 0.00 N ATOM 276 CA LYS A 21 -4.693 -12.967 5.713 1.00 0.00 C ATOM 277 C LYS A 21 -3.221 -12.869 5.326 1.00 0.00 C ATOM 278 O LYS A 21 -2.573 -11.849 5.565 1.00 0.00 O ATOM 279 CB LYS A 21 -5.457 -11.759 5.165 1.00 0.00 C ATOM 280 CG LYS A 21 -6.943 -11.785 5.480 1.00 0.00 C ATOM 281 CD LYS A 21 -7.613 -13.021 4.903 1.00 0.00 C ATOM 282 CE LYS A 21 -7.385 -13.130 3.403 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.147 -14.261 2.807 1.00 0.00 N ATOM 0 H LYS A 21 -5.331 -12.253 7.579 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.105 -13.878 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.023 -10.848 5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.324 -11.715 4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.087 -11.762 6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.417 -10.891 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.224 -13.911 5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.683 -12.985 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.682 -12.198 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.321 -13.265 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.965 -14.301 1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.845 -15.153 3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.164 -14.120 2.972 1.00 0.00 H new ATOM 297 N ASP A 22 -2.700 -13.933 4.726 1.00 0.00 N ATOM 298 CA ASP A 22 -1.304 -13.966 4.303 1.00 0.00 C ATOM 299 C ASP A 22 -0.854 -12.595 3.808 1.00 0.00 C ATOM 300 O ASP A 22 -1.466 -12.016 2.911 1.00 0.00 O ATOM 301 CB ASP A 22 -1.107 -15.009 3.202 1.00 0.00 C ATOM 302 CG ASP A 22 -1.461 -16.410 3.662 1.00 0.00 C ATOM 303 OD1 ASP A 22 -1.358 -16.678 4.877 1.00 0.00 O ATOM 304 OD2 ASP A 22 -1.839 -17.238 2.807 1.00 0.00 O ATOM 0 H ASP A 22 -3.223 -14.785 4.521 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.695 -14.239 5.165 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.722 -14.746 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.069 -14.990 2.869 1.00 0.00 H new ATOM 309 N GLY A 23 0.219 -12.080 4.400 1.00 0.00 N ATOM 310 CA GLY A 23 0.732 -10.781 4.007 1.00 0.00 C ATOM 311 C GLY A 23 0.741 -10.591 2.503 1.00 0.00 C ATOM 312 O GLY A 23 0.154 -9.641 1.986 1.00 0.00 O ATOM 0 H GLY A 23 0.742 -12.540 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.125 -10.000 4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.745 -10.663 4.391 1.00 0.00 H new ATOM 316 N LYS A 24 1.409 -11.498 1.798 1.00 0.00 N ATOM 317 CA LYS A 24 1.493 -11.427 0.344 1.00 0.00 C ATOM 318 C LYS A 24 0.173 -10.953 -0.255 1.00 0.00 C ATOM 319 O LYS A 24 0.136 -9.978 -1.005 1.00 0.00 O ATOM 320 CB LYS A 24 1.865 -12.795 -0.233 1.00 0.00 C ATOM 321 CG LYS A 24 2.205 -12.759 -1.713 1.00 0.00 C ATOM 322 CD LYS A 24 2.094 -14.137 -2.344 1.00 0.00 C ATOM 323 CE LYS A 24 0.661 -14.453 -2.743 1.00 0.00 C ATOM 324 NZ LYS A 24 0.465 -15.906 -3.002 1.00 0.00 N ATOM 0 H LYS A 24 1.900 -12.291 2.210 1.00 0.00 H new ATOM 0 HA LYS A 24 2.269 -10.707 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.718 -13.192 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.035 -13.484 -0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.535 -12.068 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.217 -12.378 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.737 -14.189 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.452 -14.890 -1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.016 -14.131 -1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.399 -13.886 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.524 -16.080 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.092 -16.209 -3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.690 -16.445 -2.142 1.00 0.00 H new ATOM 338 N SER A 25 -0.909 -11.647 0.083 1.00 0.00 N ATOM 339 CA SER A 25 -2.231 -11.298 -0.423 1.00 0.00 C ATOM 340 C SER A 25 -2.637 -9.902 0.038 1.00 0.00 C ATOM 341 O SER A 25 -3.140 -9.098 -0.748 1.00 0.00 O ATOM 342 CB SER A 25 -3.266 -12.323 0.044 1.00 0.00 C ATOM 343 OG SER A 25 -2.873 -13.640 -0.303 1.00 0.00 O ATOM 0 H SER A 25 -0.896 -12.455 0.706 1.00 0.00 H new ATOM 0 HA SER A 25 -2.190 -11.305 -1.512 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.392 -12.251 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.233 -12.098 -0.406 1.00 0.00 H new ATOM 0 HG SER A 25 -3.550 -14.276 0.008 1.00 0.00 H new ATOM 349 N VAL A 26 -2.416 -9.620 1.318 1.00 0.00 N ATOM 350 CA VAL A 26 -2.758 -8.321 1.885 1.00 0.00 C ATOM 351 C VAL A 26 -2.130 -7.188 1.081 1.00 0.00 C ATOM 352 O VAL A 26 -2.830 -6.314 0.570 1.00 0.00 O ATOM 353 CB VAL A 26 -2.299 -8.210 3.351 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.798 -6.914 3.970 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.779 -9.412 4.151 1.00 0.00 C ATOM 0 H VAL A 26 -2.002 -10.274 1.982 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.844 -8.234 1.844 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.209 -8.199 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.464 -6.853 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.401 -6.067 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.887 -6.891 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.446 -9.318 5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.868 -9.456 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.368 -10.324 3.719 1.00 0.00 H new ATOM 365 N SER A 27 -0.806 -7.210 0.972 1.00 0.00 N ATOM 366 CA SER A 27 -0.082 -6.183 0.232 1.00 0.00 C ATOM 367 C SER A 27 -0.774 -5.878 -1.093 1.00 0.00 C ATOM 368 O SER A 27 -1.329 -4.797 -1.282 1.00 0.00 O ATOM 369 CB SER A 27 1.359 -6.627 -0.023 1.00 0.00 C ATOM 370 OG SER A 27 2.148 -5.552 -0.502 1.00 0.00 O ATOM 0 H SER A 27 -0.212 -7.928 1.387 1.00 0.00 H new ATOM 0 HA SER A 27 -0.073 -5.275 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.791 -7.016 0.899 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.369 -7.441 -0.748 1.00 0.00 H new ATOM 0 HG SER A 27 3.065 -5.862 -0.655 1.00 0.00 H new ATOM 376 N ASN A 28 -0.737 -6.841 -2.008 1.00 0.00 N ATOM 377 CA ASN A 28 -1.360 -6.677 -3.316 1.00 0.00 C ATOM 378 C ASN A 28 -2.627 -5.834 -3.214 1.00 0.00 C ATOM 379 O ASN A 28 -2.753 -4.802 -3.872 1.00 0.00 O ATOM 380 CB ASN A 28 -1.690 -8.043 -3.922 1.00 0.00 C ATOM 381 CG ASN A 28 -2.070 -7.949 -5.387 1.00 0.00 C ATOM 382 OD1 ASN A 28 -3.257 -7.420 -5.658 1.00 0.00 O flip ATOM 383 ND2 ASN A 28 -1.304 -8.348 -6.265 1.00 0.00 N flip ATOM 0 H ASN A 28 -0.282 -7.743 -1.868 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.653 -6.160 -3.965 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.829 -8.703 -3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.510 -8.496 -3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.401 -8.748 -6.011 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.573 -8.279 -7.246 1.00 0.00 H new ATOM 390 N ARG A 29 -3.563 -6.282 -2.383 1.00 0.00 N ATOM 391 CA ARG A 29 -4.821 -5.569 -2.194 1.00 0.00 C ATOM 392 C ARG A 29 -4.575 -4.079 -1.979 1.00 0.00 C ATOM 393 O ARG A 29 -5.231 -3.235 -2.591 1.00 0.00 O ATOM 394 CB ARG A 29 -5.585 -6.148 -1.002 1.00 0.00 C ATOM 395 CG ARG A 29 -6.794 -5.321 -0.594 1.00 0.00 C ATOM 396 CD ARG A 29 -7.876 -5.352 -1.661 1.00 0.00 C ATOM 397 NE ARG A 29 -8.781 -6.486 -1.491 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.927 -6.616 -2.149 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.307 -5.688 -3.016 1.00 0.00 N ATOM 400 NH2 ARG A 29 -10.696 -7.677 -1.940 1.00 0.00 N ATOM 0 H ARG A 29 -3.474 -7.135 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.420 -5.694 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.912 -7.158 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.908 -6.230 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.196 -5.702 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.488 -4.290 -0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.447 -4.424 -1.625 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.412 -5.403 -2.646 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.518 -7.218 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.718 -4.871 -3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.188 -5.791 -3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.407 -8.393 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.576 -7.776 -2.446 1.00 0.00 H new ATOM 414 N LEU A 30 -3.625 -3.761 -1.106 1.00 0.00 N ATOM 415 CA LEU A 30 -3.292 -2.372 -0.809 1.00 0.00 C ATOM 416 C LEU A 30 -2.623 -1.705 -2.007 1.00 0.00 C ATOM 417 O LEU A 30 -2.995 -0.599 -2.401 1.00 0.00 O ATOM 418 CB LEU A 30 -2.371 -2.298 0.411 1.00 0.00 C ATOM 419 CG LEU A 30 -3.025 -2.580 1.764 1.00 0.00 C ATOM 420 CD1 LEU A 30 -3.030 -4.073 2.053 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.307 -1.822 2.871 1.00 0.00 C ATOM 0 H LEU A 30 -3.072 -4.446 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.218 -1.840 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.556 -3.007 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.926 -1.304 0.445 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.058 -2.235 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.499 -4.255 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.589 -4.592 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.005 -4.443 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.786 -2.034 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.264 -2.136 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.356 -0.752 2.670 1.00 0.00 H new ATOM 433 N ARG A 31 -1.637 -2.385 -2.582 1.00 0.00 N ATOM 434 CA ARG A 31 -0.918 -1.859 -3.736 1.00 0.00 C ATOM 435 C ARG A 31 -1.864 -1.116 -4.674 1.00 0.00 C ATOM 436 O ARG A 31 -1.593 0.015 -5.079 1.00 0.00 O ATOM 437 CB ARG A 31 -0.221 -2.992 -4.490 1.00 0.00 C ATOM 438 CG ARG A 31 1.120 -3.387 -3.893 1.00 0.00 C ATOM 439 CD ARG A 31 1.699 -4.611 -4.585 1.00 0.00 C ATOM 440 NE ARG A 31 2.488 -4.253 -5.761 1.00 0.00 N ATOM 441 CZ ARG A 31 3.174 -5.133 -6.482 1.00 0.00 C ATOM 442 NH1 ARG A 31 3.168 -6.416 -6.148 1.00 0.00 N ATOM 443 NH2 ARG A 31 3.868 -4.731 -7.539 1.00 0.00 N ATOM 0 H ARG A 31 -1.318 -3.301 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.167 -1.157 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.874 -3.864 -4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.073 -2.690 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.818 -2.554 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.000 -3.592 -2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.324 -5.162 -3.883 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.889 -5.277 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 31 2.514 -3.273 -6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.636 -6.729 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.695 -7.090 -6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.875 -3.745 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.394 -5.408 -8.091 1.00 0.00 H new ATOM 457 N ARG A 32 -2.976 -1.759 -5.016 1.00 0.00 N ATOM 458 CA ARG A 32 -3.962 -1.160 -5.908 1.00 0.00 C ATOM 459 C ARG A 32 -4.491 0.150 -5.332 1.00 0.00 C ATOM 460 O ARG A 32 -4.595 1.154 -6.038 1.00 0.00 O ATOM 461 CB ARG A 32 -5.120 -2.130 -6.147 1.00 0.00 C ATOM 462 CG ARG A 32 -4.922 -3.031 -7.355 1.00 0.00 C ATOM 463 CD ARG A 32 -5.462 -2.389 -8.623 1.00 0.00 C ATOM 464 NE ARG A 32 -6.892 -2.109 -8.528 1.00 0.00 N ATOM 465 CZ ARG A 32 -7.388 -0.940 -8.139 1.00 0.00 C ATOM 466 NH1 ARG A 32 -6.574 0.053 -7.810 1.00 0.00 N ATOM 467 NH2 ARG A 32 -8.702 -0.763 -8.078 1.00 0.00 N ATOM 0 H ARG A 32 -3.217 -2.695 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.474 -0.947 -6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.252 -2.750 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.040 -1.559 -6.277 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.861 -3.247 -7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.424 -3.984 -7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.923 -1.462 -8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.277 -3.049 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.546 -2.852 -8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.564 -0.079 -7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.958 0.950 -7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.331 -1.525 -8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.082 0.135 -7.779 1.00 0.00 H new ATOM 481 N LEU A 33 -4.825 0.132 -4.046 1.00 0.00 N ATOM 482 CA LEU A 33 -5.345 1.319 -3.374 1.00 0.00 C ATOM 483 C LEU A 33 -4.301 2.430 -3.347 1.00 0.00 C ATOM 484 O LEU A 33 -4.631 3.602 -3.166 1.00 0.00 O ATOM 485 CB LEU A 33 -5.776 0.973 -1.948 1.00 0.00 C ATOM 486 CG LEU A 33 -6.959 0.013 -1.819 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.903 -0.728 -0.492 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.274 0.767 -1.955 1.00 0.00 C ATOM 0 H LEU A 33 -4.745 -0.690 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.211 1.674 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.923 0.538 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.027 1.899 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.897 -0.720 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.753 -1.407 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.976 -1.299 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.940 -0.010 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.105 0.068 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.343 1.522 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.316 1.252 -2.930 1.00 0.00 H new ATOM 500 N SER A 34 -3.039 2.054 -3.530 1.00 0.00 N ATOM 501 CA SER A 34 -1.945 3.019 -3.525 1.00 0.00 C ATOM 502 C SER A 34 -1.657 3.521 -4.937 1.00 0.00 C ATOM 503 O SER A 34 -1.382 4.704 -5.143 1.00 0.00 O ATOM 504 CB SER A 34 -0.685 2.390 -2.928 1.00 0.00 C ATOM 505 OG SER A 34 -0.008 1.597 -3.888 1.00 0.00 O ATOM 0 H SER A 34 -2.749 1.088 -3.684 1.00 0.00 H new ATOM 0 HA SER A 34 -2.245 3.868 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.020 3.174 -2.565 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.953 1.776 -2.068 1.00 0.00 H new ATOM 0 HG SER A 34 -0.641 0.976 -4.305 1.00 0.00 H new ATOM 511 N ASP A 35 -1.724 2.615 -5.905 1.00 0.00 N ATOM 512 CA ASP A 35 -1.471 2.964 -7.298 1.00 0.00 C ATOM 513 C ASP A 35 -2.463 4.018 -7.782 1.00 0.00 C ATOM 514 O ASP A 35 -2.111 4.905 -8.559 1.00 0.00 O ATOM 515 CB ASP A 35 -1.558 1.720 -8.183 1.00 0.00 C ATOM 516 CG ASP A 35 -1.055 1.973 -9.590 1.00 0.00 C ATOM 517 OD1 ASP A 35 -1.521 2.944 -10.221 1.00 0.00 O ATOM 518 OD2 ASP A 35 -0.195 1.199 -10.061 1.00 0.00 O ATOM 0 H ASP A 35 -1.951 1.633 -5.751 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.465 3.378 -7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.977 0.916 -7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.593 1.380 -8.226 1.00 0.00 H new ATOM 523 N ASN A 36 -3.704 3.912 -7.319 1.00 0.00 N ATOM 524 CA ASN A 36 -4.747 4.855 -7.706 1.00 0.00 C ATOM 525 C ASN A 36 -4.558 6.195 -7.002 1.00 0.00 C ATOM 526 O ASN A 36 -4.703 7.255 -7.613 1.00 0.00 O ATOM 527 CB ASN A 36 -6.128 4.284 -7.376 1.00 0.00 C ATOM 528 CG ASN A 36 -7.247 5.050 -8.053 1.00 0.00 C ATOM 529 OD1 ASN A 36 -7.097 6.226 -8.387 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.379 4.386 -8.259 1.00 0.00 N ATOM 0 H ASN A 36 -4.012 3.183 -6.676 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.675 5.016 -8.782 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.169 3.239 -7.683 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.278 4.305 -6.297 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.167 4.850 -8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.460 3.412 -7.966 1.00 0.00 H new ATOM 537 N CYS A 37 -4.233 6.140 -5.715 1.00 0.00 N ATOM 538 CA CYS A 37 -4.024 7.350 -4.927 1.00 0.00 C ATOM 539 C CYS A 37 -2.583 7.834 -5.046 1.00 0.00 C ATOM 540 O CYS A 37 -2.088 8.560 -4.185 1.00 0.00 O ATOM 541 CB CYS A 37 -4.369 7.093 -3.459 1.00 0.00 C ATOM 542 SG CYS A 37 -5.873 6.119 -3.214 1.00 0.00 S ATOM 0 H CYS A 37 -4.109 5.271 -5.195 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.682 8.126 -5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.534 6.577 -2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.482 8.050 -2.950 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.557 4.872 -3.029 1.00 0.00 H new ATOM 548 N GLY A 38 -1.913 7.425 -6.119 1.00 0.00 N ATOM 549 CA GLY A 38 -0.534 7.824 -6.330 1.00 0.00 C ATOM 550 C GLY A 38 0.360 7.461 -5.162 1.00 0.00 C ATOM 551 O GLY A 38 0.844 8.336 -4.445 1.00 0.00 O ATOM 0 H GLY A 38 -2.301 6.824 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.156 7.348 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.492 8.901 -6.495 1.00 0.00 H new ATOM 555 N GLY A 39 0.580 6.164 -4.967 1.00 0.00 N ATOM 556 CA GLY A 39 1.420 5.710 -3.875 1.00 0.00 C ATOM 557 C GLY A 39 2.001 4.332 -4.125 1.00 0.00 C ATOM 558 O GLY A 39 1.685 3.688 -5.125 1.00 0.00 O ATOM 0 H GLY A 39 0.191 5.420 -5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.232 6.422 -3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.837 5.693 -2.954 1.00 0.00 H new ATOM 562 N LYS A 40 2.856 3.878 -3.214 1.00 0.00 N ATOM 563 CA LYS A 40 3.484 2.568 -3.339 1.00 0.00 C ATOM 564 C LYS A 40 3.796 1.981 -1.966 1.00 0.00 C ATOM 565 O LYS A 40 4.590 2.537 -1.208 1.00 0.00 O ATOM 566 CB LYS A 40 4.768 2.673 -4.165 1.00 0.00 C ATOM 567 CG LYS A 40 5.324 1.327 -4.597 1.00 0.00 C ATOM 568 CD LYS A 40 6.321 1.475 -5.735 1.00 0.00 C ATOM 569 CE LYS A 40 7.562 2.235 -5.293 1.00 0.00 C ATOM 570 NZ LYS A 40 8.563 1.338 -4.652 1.00 0.00 N ATOM 0 H LYS A 40 3.130 4.399 -2.381 1.00 0.00 H new ATOM 0 HA LYS A 40 2.785 1.904 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.572 3.277 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.524 3.199 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.808 0.843 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.506 0.678 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.608 0.489 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.850 1.998 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.014 2.726 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.277 3.020 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.394 1.894 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.141 0.889 -3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.855 0.604 -5.328 1.00 0.00 H new ATOM 584 N VAL A 41 3.167 0.853 -1.654 1.00 0.00 N ATOM 585 CA VAL A 41 3.380 0.188 -0.373 1.00 0.00 C ATOM 586 C VAL A 41 4.852 -0.151 -0.168 1.00 0.00 C ATOM 587 O VAL A 41 5.320 -1.211 -0.585 1.00 0.00 O ATOM 588 CB VAL A 41 2.546 -1.103 -0.265 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.682 -1.933 -1.532 1.00 0.00 C ATOM 590 CG2 VAL A 41 2.966 -1.906 0.956 1.00 0.00 C ATOM 0 H VAL A 41 2.506 0.380 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 41 3.060 0.884 0.402 1.00 0.00 H new ATOM 0 HB VAL A 41 1.497 -0.830 -0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.086 -2.841 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.329 -1.354 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.728 -2.199 -1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.367 -2.815 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.020 -2.171 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.812 -1.309 1.855 1.00 0.00 H new ATOM 600 N LEU A 42 5.578 0.755 0.477 1.00 0.00 N ATOM 601 CA LEU A 42 6.998 0.552 0.739 1.00 0.00 C ATOM 602 C LEU A 42 7.243 -0.802 1.397 1.00 0.00 C ATOM 603 O LEU A 42 8.036 -1.607 0.908 1.00 0.00 O ATOM 604 CB LEU A 42 7.537 1.671 1.633 1.00 0.00 C ATOM 605 CG LEU A 42 7.632 3.056 0.992 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.547 3.958 1.804 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.124 2.946 -0.444 1.00 0.00 C ATOM 0 H LEU A 42 5.207 1.638 0.828 1.00 0.00 H new ATOM 0 HA LEU A 42 7.524 0.572 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.899 1.744 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.530 1.385 1.980 1.00 0.00 H new ATOM 0 HG LEU A 42 6.636 3.500 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.602 4.939 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.152 4.063 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.544 3.520 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.186 3.941 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.110 2.482 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.429 2.336 -1.021 1.00 0.00 H new ATOM 619 N SER A 43 6.554 -1.048 2.507 1.00 0.00 N ATOM 620 CA SER A 43 6.698 -2.305 3.233 1.00 0.00 C ATOM 621 C SER A 43 5.490 -2.554 4.131 1.00 0.00 C ATOM 622 O SER A 43 4.640 -1.679 4.304 1.00 0.00 O ATOM 623 CB SER A 43 7.977 -2.290 4.072 1.00 0.00 C ATOM 624 OG SER A 43 9.107 -2.626 3.284 1.00 0.00 O ATOM 0 H SER A 43 5.891 -0.394 2.923 1.00 0.00 H new ATOM 0 HA SER A 43 6.760 -3.113 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.116 -1.302 4.511 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.883 -2.995 4.898 1.00 0.00 H new ATOM 0 HG SER A 43 8.928 -2.408 2.345 1.00 0.00 H new ATOM 630 N ILE A 44 5.421 -3.753 4.700 1.00 0.00 N ATOM 631 CA ILE A 44 4.319 -4.117 5.581 1.00 0.00 C ATOM 632 C ILE A 44 4.825 -4.846 6.822 1.00 0.00 C ATOM 633 O ILE A 44 5.225 -6.008 6.754 1.00 0.00 O ATOM 634 CB ILE A 44 3.292 -5.010 4.859 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.638 -4.243 3.708 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.239 -5.505 5.839 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.220 -5.126 2.553 1.00 0.00 C ATOM 0 H ILE A 44 6.115 -4.488 4.566 1.00 0.00 H new ATOM 0 HA ILE A 44 3.834 -3.188 5.880 1.00 0.00 H new ATOM 0 HB ILE A 44 3.811 -5.875 4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.763 -3.714 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.334 -3.488 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.521 -6.135 5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.720 -6.083 6.628 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.721 -4.652 6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.764 -4.515 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.095 -5.635 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.499 -5.865 2.902 1.00 0.00 H new ATOM 649 N THR A 45 4.802 -4.155 7.958 1.00 0.00 N ATOM 650 CA THR A 45 5.257 -4.735 9.214 1.00 0.00 C ATOM 651 C THR A 45 4.079 -5.117 10.102 1.00 0.00 C ATOM 652 O THR A 45 3.222 -4.288 10.405 1.00 0.00 O ATOM 653 CB THR A 45 6.171 -3.762 9.984 1.00 0.00 C ATOM 654 OG1 THR A 45 5.384 -2.741 10.607 1.00 0.00 O ATOM 655 CG2 THR A 45 7.191 -3.126 9.052 1.00 0.00 C ATOM 0 H THR A 45 4.473 -3.193 8.033 1.00 0.00 H new ATOM 0 HA THR A 45 5.823 -5.631 8.961 1.00 0.00 H new ATOM 0 HB THR A 45 6.704 -4.327 10.749 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.436 -2.894 10.412 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.825 -2.443 9.618 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.807 -3.904 8.602 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.673 -2.574 8.268 1.00 0.00 H new ATOM 663 N GLY A 46 4.041 -6.380 10.518 1.00 0.00 N ATOM 664 CA GLY A 46 2.963 -6.850 11.368 1.00 0.00 C ATOM 665 C GLY A 46 1.601 -6.398 10.879 1.00 0.00 C ATOM 666 O GLY A 46 1.306 -6.474 9.686 1.00 0.00 O ATOM 0 H GLY A 46 4.738 -7.086 10.281 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.987 -7.939 11.412 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.120 -6.487 12.384 1.00 0.00 H new ATOM 670 N CYS A 47 0.769 -5.930 11.803 1.00 0.00 N ATOM 671 CA CYS A 47 -0.571 -5.467 11.460 1.00 0.00 C ATOM 672 C CYS A 47 -0.541 -4.016 10.989 1.00 0.00 C ATOM 673 O CYS A 47 -1.557 -3.321 11.025 1.00 0.00 O ATOM 674 CB CYS A 47 -1.505 -5.607 12.663 1.00 0.00 C ATOM 675 SG CYS A 47 -0.800 -5.009 14.217 1.00 0.00 S ATOM 0 H CYS A 47 0.998 -5.861 12.794 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.945 -6.086 10.645 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.426 -5.061 12.460 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.776 -6.656 12.779 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.664 -5.167 15.175 1.00 0.00 H new ATOM 681 N SER A 48 0.630 -3.566 10.551 1.00 0.00 N ATOM 682 CA SER A 48 0.793 -2.196 10.078 1.00 0.00 C ATOM 683 C SER A 48 1.507 -2.168 8.730 1.00 0.00 C ATOM 684 O SER A 48 2.050 -3.177 8.282 1.00 0.00 O ATOM 685 CB SER A 48 1.578 -1.372 11.101 1.00 0.00 C ATOM 686 OG SER A 48 2.812 -1.991 11.416 1.00 0.00 O ATOM 0 H SER A 48 1.480 -4.129 10.514 1.00 0.00 H new ATOM 0 HA SER A 48 -0.198 -1.760 9.953 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.760 -0.373 10.705 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.986 -1.253 12.008 1.00 0.00 H new ATOM 0 HG SER A 48 2.724 -2.963 11.322 1.00 0.00 H new ATOM 692 N ALA A 49 1.502 -1.004 8.089 1.00 0.00 N ATOM 693 CA ALA A 49 2.150 -0.842 6.794 1.00 0.00 C ATOM 694 C ALA A 49 2.614 0.596 6.588 1.00 0.00 C ATOM 695 O ALA A 49 2.192 1.503 7.306 1.00 0.00 O ATOM 696 CB ALA A 49 1.206 -1.259 5.676 1.00 0.00 C ATOM 0 H ALA A 49 1.056 -0.159 8.446 1.00 0.00 H new ATOM 0 HA ALA A 49 3.029 -1.486 6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.703 -1.133 4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.927 -2.305 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.310 -0.639 5.706 1.00 0.00 H new ATOM 702 N ILE A 50 3.485 0.797 5.604 1.00 0.00 N ATOM 703 CA ILE A 50 4.005 2.125 5.304 1.00 0.00 C ATOM 704 C ILE A 50 4.018 2.384 3.802 1.00 0.00 C ATOM 705 O ILE A 50 4.735 1.719 3.052 1.00 0.00 O ATOM 706 CB ILE A 50 5.430 2.309 5.858 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.423 2.221 7.386 1.00 0.00 C ATOM 708 CG2 ILE A 50 6.008 3.641 5.402 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.800 2.314 8.003 1.00 0.00 C ATOM 0 H ILE A 50 3.845 0.057 5.001 1.00 0.00 H new ATOM 0 HA ILE A 50 3.340 2.841 5.787 1.00 0.00 H new ATOM 0 HB ILE A 50 6.060 1.509 5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.800 3.022 7.785 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.962 1.280 7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.015 3.756 5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.044 3.668 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.379 4.454 5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.718 2.244 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.420 1.498 7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.256 3.267 7.734 1.00 0.00 H new ATOM 721 N LEU A 51 3.222 3.355 3.367 1.00 0.00 N ATOM 722 CA LEU A 51 3.143 3.704 1.953 1.00 0.00 C ATOM 723 C LEU A 51 3.929 4.979 1.663 1.00 0.00 C ATOM 724 O LEU A 51 4.201 5.771 2.565 1.00 0.00 O ATOM 725 CB LEU A 51 1.683 3.884 1.533 1.00 0.00 C ATOM 726 CG LEU A 51 0.840 2.610 1.472 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.173 2.347 2.813 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.201 2.711 0.367 1.00 0.00 C ATOM 0 H LEU A 51 2.622 3.914 3.973 1.00 0.00 H new ATOM 0 HA LEU A 51 3.582 2.889 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.209 4.577 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.664 4.356 0.551 1.00 0.00 H new ATOM 0 HG LEU A 51 1.499 1.772 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.423 1.436 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.936 2.229 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.473 3.187 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.791 1.795 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.857 3.560 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.298 2.851 -0.592 1.00 0.00 H new ATOM 740 N ARG A 52 4.288 5.171 0.397 1.00 0.00 N ATOM 741 CA ARG A 52 5.041 6.350 -0.012 1.00 0.00 C ATOM 742 C ARG A 52 4.284 7.135 -1.079 1.00 0.00 C ATOM 743 O ARG A 52 3.934 6.597 -2.130 1.00 0.00 O ATOM 744 CB ARG A 52 6.417 5.943 -0.543 1.00 0.00 C ATOM 745 CG ARG A 52 7.057 6.990 -1.440 1.00 0.00 C ATOM 746 CD ARG A 52 8.572 6.988 -1.305 1.00 0.00 C ATOM 747 NE ARG A 52 9.202 6.051 -2.232 1.00 0.00 N ATOM 748 CZ ARG A 52 9.391 6.308 -3.521 1.00 0.00 C ATOM 749 NH1 ARG A 52 9.000 7.466 -4.034 1.00 0.00 N ATOM 750 NH2 ARG A 52 9.973 5.405 -4.301 1.00 0.00 N ATOM 0 H ARG A 52 4.069 4.525 -0.362 1.00 0.00 H new ATOM 0 HA ARG A 52 5.170 6.989 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.079 5.746 0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.321 5.010 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.783 6.799 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.669 7.976 -1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.954 7.992 -1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.845 6.726 -0.283 1.00 0.00 H new ATOM 0 HE ARG A 52 9.514 5.150 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.553 8.163 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.147 7.660 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.275 4.513 -3.910 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.118 5.604 -5.291 1.00 0.00 H new ATOM 764 N PHE A 53 4.033 8.410 -0.802 1.00 0.00 N ATOM 765 CA PHE A 53 3.316 9.269 -1.737 1.00 0.00 C ATOM 766 C PHE A 53 4.178 10.457 -2.155 1.00 0.00 C ATOM 767 O PHE A 53 5.074 10.875 -1.422 1.00 0.00 O ATOM 768 CB PHE A 53 2.013 9.767 -1.109 1.00 0.00 C ATOM 769 CG PHE A 53 1.027 8.670 -0.825 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.181 7.851 0.282 1.00 0.00 C ATOM 771 CD2 PHE A 53 -0.054 8.458 -1.666 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.275 6.841 0.546 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.963 7.449 -1.407 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.798 6.639 -0.300 1.00 0.00 C ATOM 0 H PHE A 53 4.316 8.871 0.063 1.00 0.00 H new ATOM 0 HA PHE A 53 3.082 8.681 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.243 10.288 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.552 10.495 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.019 8.004 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.188 9.088 -2.533 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.406 6.210 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.802 7.294 -2.070 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.506 5.850 -0.097 1.00 0.00 H new ATOM 784 N ILE A 54 3.900 10.994 -3.339 1.00 0.00 N ATOM 785 CA ILE A 54 4.650 12.133 -3.854 1.00 0.00 C ATOM 786 C ILE A 54 4.612 13.304 -2.878 1.00 0.00 C ATOM 787 O ILE A 54 5.651 13.833 -2.487 1.00 0.00 O ATOM 788 CB ILE A 54 4.101 12.597 -5.216 1.00 0.00 C ATOM 789 CG1 ILE A 54 4.865 13.829 -5.706 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.613 12.897 -5.114 1.00 0.00 C ATOM 791 CD1 ILE A 54 6.068 13.494 -6.560 1.00 0.00 C ATOM 0 H ILE A 54 3.162 10.659 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 54 5.681 11.802 -3.979 1.00 0.00 H new ATOM 0 HB ILE A 54 4.241 11.794 -5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.188 14.462 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.192 14.410 -4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.240 13.224 -6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.081 11.997 -4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.450 13.685 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.561 14.415 -6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.765 12.886 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.746 12.939 -7.441 1.00 0.00 H new ATOM 803 N ASN A 55 3.406 13.702 -2.486 1.00 0.00 N ATOM 804 CA ASN A 55 3.232 14.809 -1.553 1.00 0.00 C ATOM 805 C ASN A 55 2.045 14.560 -0.628 1.00 0.00 C ATOM 806 O ASN A 55 1.339 13.562 -0.764 1.00 0.00 O ATOM 807 CB ASN A 55 3.031 16.120 -2.317 1.00 0.00 C ATOM 808 CG ASN A 55 2.070 15.970 -3.480 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.925 15.552 -3.303 1.00 0.00 O ATOM 810 ND2 ASN A 55 2.532 16.310 -4.678 1.00 0.00 N ATOM 0 H ASN A 55 2.535 13.274 -2.800 1.00 0.00 H new ATOM 0 HA ASN A 55 4.134 14.884 -0.945 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.654 16.881 -1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.993 16.473 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.931 16.229 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.488 16.652 -4.778 1.00 0.00 H new ATOM 817 N GLN A 56 1.833 15.475 0.313 1.00 0.00 N ATOM 818 CA GLN A 56 0.732 15.354 1.261 1.00 0.00 C ATOM 819 C GLN A 56 -0.578 15.057 0.538 1.00 0.00 C ATOM 820 O GLN A 56 -1.154 13.980 0.695 1.00 0.00 O ATOM 821 CB GLN A 56 0.595 16.637 2.083 1.00 0.00 C ATOM 822 CG GLN A 56 -0.650 16.671 2.954 1.00 0.00 C ATOM 823 CD GLN A 56 -0.494 17.577 4.160 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.407 18.414 4.209 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.374 17.413 5.141 1.00 0.00 N ATOM 0 H GLN A 56 2.409 16.307 0.439 1.00 0.00 H new ATOM 0 HA GLN A 56 0.953 14.523 1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.475 16.748 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.579 17.492 1.407 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.497 17.009 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.881 15.660 3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.105 16.706 5.058 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.319 17.994 5.978 1.00 0.00 H new ATOM 834 N ASP A 57 -1.043 16.018 -0.252 1.00 0.00 N ATOM 835 CA ASP A 57 -2.285 15.859 -1.000 1.00 0.00 C ATOM 836 C ASP A 57 -2.476 14.409 -1.435 1.00 0.00 C ATOM 837 O ASP A 57 -3.348 13.707 -0.924 1.00 0.00 O ATOM 838 CB ASP A 57 -2.290 16.777 -2.223 1.00 0.00 C ATOM 839 CG ASP A 57 -3.693 17.121 -2.683 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.376 16.226 -3.224 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.108 18.285 -2.503 1.00 0.00 O ATOM 0 H ASP A 57 -0.579 16.916 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.112 16.135 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.753 17.696 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.752 16.294 -3.038 1.00 0.00 H new ATOM 846 N SER A 58 -1.655 13.969 -2.383 1.00 0.00 N ATOM 847 CA SER A 58 -1.736 12.604 -2.891 1.00 0.00 C ATOM 848 C SER A 58 -1.967 11.614 -1.753 1.00 0.00 C ATOM 849 O SER A 58 -2.846 10.757 -1.831 1.00 0.00 O ATOM 850 CB SER A 58 -0.456 12.241 -3.646 1.00 0.00 C ATOM 851 OG SER A 58 -0.531 12.648 -5.001 1.00 0.00 O ATOM 0 H SER A 58 -0.926 14.537 -2.815 1.00 0.00 H new ATOM 0 HA SER A 58 -2.582 12.547 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.400 12.717 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.293 11.165 -3.595 1.00 0.00 H new ATOM 0 HG SER A 58 0.004 12.042 -5.555 1.00 0.00 H new ATOM 857 N ALA A 59 -1.170 11.739 -0.697 1.00 0.00 N ATOM 858 CA ALA A 59 -1.287 10.857 0.457 1.00 0.00 C ATOM 859 C ALA A 59 -2.676 10.951 1.080 1.00 0.00 C ATOM 860 O ALA A 59 -3.287 9.935 1.410 1.00 0.00 O ATOM 861 CB ALA A 59 -0.221 11.194 1.489 1.00 0.00 C ATOM 0 H ALA A 59 -0.436 12.443 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.137 9.832 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.320 10.527 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.767 11.070 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.345 12.226 1.816 1.00 0.00 H new ATOM 867 N GLU A 60 -3.168 12.176 1.238 1.00 0.00 N ATOM 868 CA GLU A 60 -4.485 12.400 1.823 1.00 0.00 C ATOM 869 C GLU A 60 -5.548 11.579 1.100 1.00 0.00 C ATOM 870 O GLU A 60 -6.177 10.701 1.691 1.00 0.00 O ATOM 871 CB GLU A 60 -4.846 13.886 1.766 1.00 0.00 C ATOM 872 CG GLU A 60 -3.832 14.786 2.451 1.00 0.00 C ATOM 873 CD GLU A 60 -4.439 16.090 2.931 1.00 0.00 C ATOM 874 OE1 GLU A 60 -4.506 17.045 2.130 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.848 16.154 4.110 1.00 0.00 O ATOM 0 H GLU A 60 -2.675 13.028 0.969 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.451 12.081 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.941 14.188 0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.821 14.032 2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.398 14.258 3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.018 15.002 1.759 1.00 0.00 H new ATOM 882 N ARG A 61 -5.744 11.871 -0.181 1.00 0.00 N ATOM 883 CA ARG A 61 -6.732 11.161 -0.985 1.00 0.00 C ATOM 884 C ARG A 61 -6.692 9.663 -0.697 1.00 0.00 C ATOM 885 O ARG A 61 -7.696 8.966 -0.841 1.00 0.00 O ATOM 886 CB ARG A 61 -6.486 11.412 -2.473 1.00 0.00 C ATOM 887 CG ARG A 61 -6.397 12.886 -2.836 1.00 0.00 C ATOM 888 CD ARG A 61 -6.157 13.079 -4.325 1.00 0.00 C ATOM 889 NE ARG A 61 -6.746 14.322 -4.817 1.00 0.00 N ATOM 890 CZ ARG A 61 -6.489 14.833 -6.016 1.00 0.00 C ATOM 891 NH1 ARG A 61 -5.657 14.211 -6.841 1.00 0.00 N ATOM 892 NH2 ARG A 61 -7.064 15.968 -6.393 1.00 0.00 N ATOM 0 H ARG A 61 -5.232 12.595 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.719 11.539 -0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.561 10.917 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.290 10.953 -3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.319 13.389 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.589 13.353 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.085 13.083 -4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.579 12.236 -4.873 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.390 14.825 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.213 13.338 -6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.461 14.605 -7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.704 16.449 -5.762 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.866 16.359 -7.314 1.00 0.00 H new ATOM 906 N ALA A 62 -5.525 9.175 -0.290 1.00 0.00 N ATOM 907 CA ALA A 62 -5.354 7.761 0.019 1.00 0.00 C ATOM 908 C ALA A 62 -5.645 7.481 1.489 1.00 0.00 C ATOM 909 O ALA A 62 -6.171 6.424 1.837 1.00 0.00 O ATOM 910 CB ALA A 62 -3.946 7.309 -0.338 1.00 0.00 C ATOM 0 H ALA A 62 -4.684 9.738 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.068 7.195 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.833 6.251 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.773 7.464 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.222 7.888 0.235 1.00 0.00 H new ATOM 916 N GLN A 63 -5.298 8.435 2.348 1.00 0.00 N ATOM 917 CA GLN A 63 -5.521 8.289 3.782 1.00 0.00 C ATOM 918 C GLN A 63 -6.994 8.482 4.126 1.00 0.00 C ATOM 919 O GLN A 63 -7.464 8.024 5.167 1.00 0.00 O ATOM 920 CB GLN A 63 -4.667 9.295 4.556 1.00 0.00 C ATOM 921 CG GLN A 63 -4.793 9.164 6.066 1.00 0.00 C ATOM 922 CD GLN A 63 -5.997 9.901 6.617 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.679 10.629 5.895 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.267 9.715 7.904 1.00 0.00 N ATOM 0 H GLN A 63 -4.862 9.316 2.076 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.230 7.279 4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.622 9.165 4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.953 10.305 4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.865 8.109 6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.889 9.550 6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.675 9.103 8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.066 10.184 8.330 1.00 0.00 H new ATOM 933 N LYS A 64 -7.718 9.164 3.245 1.00 0.00 N ATOM 934 CA LYS A 64 -9.138 9.418 3.454 1.00 0.00 C ATOM 935 C LYS A 64 -9.985 8.305 2.845 1.00 0.00 C ATOM 936 O LYS A 64 -11.141 8.114 3.223 1.00 0.00 O ATOM 937 CB LYS A 64 -9.532 10.765 2.843 1.00 0.00 C ATOM 938 CG LYS A 64 -9.342 10.829 1.338 1.00 0.00 C ATOM 939 CD LYS A 64 -10.590 10.378 0.598 1.00 0.00 C ATOM 940 CE LYS A 64 -11.611 11.500 0.492 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.554 11.287 -0.640 1.00 0.00 N ATOM 0 H LYS A 64 -7.344 9.551 2.379 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.322 9.445 4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.577 10.969 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.940 11.553 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.093 11.849 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.500 10.200 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.318 10.036 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.034 9.528 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.172 11.569 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.094 12.450 0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.234 12.073 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.022 11.246 -1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.066 10.393 -0.501 1.00 0.00 H new ATOM 955 N ARG A 65 -9.402 7.573 1.901 1.00 0.00 N ATOM 956 CA ARG A 65 -10.104 6.479 1.240 1.00 0.00 C ATOM 957 C ARG A 65 -9.822 5.152 1.939 1.00 0.00 C ATOM 958 O ARG A 65 -10.705 4.302 2.058 1.00 0.00 O ATOM 959 CB ARG A 65 -9.688 6.391 -0.229 1.00 0.00 C ATOM 960 CG ARG A 65 -8.510 5.463 -0.475 1.00 0.00 C ATOM 961 CD ARG A 65 -8.960 4.018 -0.619 1.00 0.00 C ATOM 962 NE ARG A 65 -9.270 3.677 -2.005 1.00 0.00 N ATOM 963 CZ ARG A 65 -10.493 3.734 -2.520 1.00 0.00 C ATOM 964 NH1 ARG A 65 -11.516 4.115 -1.767 1.00 0.00 N ATOM 965 NH2 ARG A 65 -10.696 3.408 -3.790 1.00 0.00 N ATOM 0 H ARG A 65 -8.446 7.718 1.577 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.174 6.681 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.538 6.048 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.434 7.389 -0.586 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.984 5.773 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.803 5.544 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.177 3.356 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.840 3.849 0.002 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.505 3.379 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.365 4.365 -0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.454 4.158 -2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.912 3.113 -4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.636 3.452 -4.184 1.00 0.00 H new ATOM 979 N MET A 66 -8.587 4.981 2.399 1.00 0.00 N ATOM 980 CA MET A 66 -8.190 3.758 3.087 1.00 0.00 C ATOM 981 C MET A 66 -8.864 3.658 4.451 1.00 0.00 C ATOM 982 O MET A 66 -9.361 2.599 4.831 1.00 0.00 O ATOM 983 CB MET A 66 -6.670 3.710 3.251 1.00 0.00 C ATOM 984 CG MET A 66 -5.930 3.378 1.966 1.00 0.00 C ATOM 985 SD MET A 66 -4.265 2.754 2.265 1.00 0.00 S ATOM 986 CE MET A 66 -3.313 3.781 1.148 1.00 0.00 C ATOM 0 H MET A 66 -7.844 5.674 2.308 1.00 0.00 H new ATOM 0 HA MET A 66 -8.509 2.910 2.481 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.322 4.674 3.622 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.418 2.967 4.008 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.497 2.634 1.406 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.873 4.271 1.343 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.841 3.155 0.391 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.973 4.501 0.664 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.545 4.313 1.709 1.00 0.00 H new ATOM 996 N GLU A 67 -8.877 4.768 5.183 1.00 0.00 N ATOM 997 CA GLU A 67 -9.489 4.803 6.506 1.00 0.00 C ATOM 998 C GLU A 67 -10.840 4.094 6.499 1.00 0.00 C ATOM 999 O GLU A 67 -11.207 3.424 7.464 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.662 6.250 6.974 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.777 6.992 6.256 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.941 8.417 6.749 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -10.473 8.715 7.868 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.537 9.233 6.016 1.00 0.00 O ATOM 0 H GLU A 67 -8.471 5.654 4.882 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.828 4.281 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.864 6.255 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.725 6.786 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.571 7.003 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.715 6.453 6.394 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.577 4.247 5.403 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.888 3.623 5.270 1.00 0.00 C ATOM 1013 C ASN A 68 -12.801 2.348 4.437 1.00 0.00 C ATOM 1014 O ASN A 68 -13.718 1.527 4.444 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.878 4.598 4.630 1.00 0.00 C ATOM 1016 CG ASN A 68 -14.280 5.716 5.572 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -14.007 6.888 5.316 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.934 5.356 6.671 1.00 0.00 N ATOM 0 H ASN A 68 -11.288 4.798 4.595 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.241 3.361 6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.433 5.026 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.768 4.053 4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.231 6.064 7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.139 4.372 6.843 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.693 2.191 3.719 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.488 1.016 2.880 1.00 0.00 C ATOM 1027 C GLU A 69 -11.384 -0.248 3.729 1.00 0.00 C ATOM 1028 O GLU A 69 -11.318 -0.180 4.957 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.223 1.181 2.035 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.156 0.232 0.849 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.520 -0.050 0.250 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.245 0.920 -0.057 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -11.863 -1.239 0.088 1.00 0.00 O ATOM 0 H GLU A 69 -10.925 2.862 3.702 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.349 0.919 2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.170 2.207 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.350 1.021 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.508 0.659 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.701 -0.707 1.165 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.370 -1.399 3.067 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.274 -2.679 3.760 1.00 0.00 C ATOM 1042 C ASP A 70 -10.442 -3.671 2.954 1.00 0.00 C ATOM 1043 O ASP A 70 -10.840 -4.094 1.868 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.669 -3.252 4.014 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.625 -2.978 2.869 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.196 -3.082 1.701 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.801 -2.658 3.141 1.00 0.00 O ATOM 0 H ASP A 70 -11.424 -1.473 2.051 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.780 -2.510 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.594 -4.328 4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.073 -2.824 4.931 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.284 -4.039 3.493 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.395 -4.982 2.825 1.00 0.00 C ATOM 1054 C VAL A 71 -9.035 -6.362 2.722 1.00 0.00 C ATOM 1055 O VAL A 71 -9.042 -6.977 1.655 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.050 -5.106 3.564 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.194 -6.196 2.937 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.316 -3.773 3.562 1.00 0.00 C ATOM 0 H VAL A 71 -8.940 -3.698 4.391 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.216 -4.592 1.823 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.249 -5.384 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.248 -6.269 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.719 -7.150 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.002 -5.952 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.368 -3.879 4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.128 -3.463 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.926 -3.021 4.062 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.572 -6.844 3.838 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.215 -8.152 3.874 1.00 0.00 C ATOM 1070 C PHE A 72 -10.996 -8.338 5.171 1.00 0.00 C ATOM 1071 O PHE A 72 -10.416 -8.412 6.254 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.170 -9.261 3.731 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.748 -9.507 2.311 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.692 -9.748 1.325 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.407 -9.499 1.962 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.306 -9.974 0.017 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.016 -9.724 0.656 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.967 -9.964 -0.318 1.00 0.00 C ATOM 0 H PHE A 72 -9.575 -6.348 4.729 1.00 0.00 H new ATOM 0 HA PHE A 72 -10.913 -8.210 3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.292 -9.001 4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.573 -10.184 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.741 -9.759 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.659 -9.315 2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.052 -10.158 -0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.968 -9.712 0.396 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.663 -10.143 -1.339 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.319 -8.414 5.053 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.159 -8.590 6.223 1.00 0.00 C ATOM 1090 C GLY A 73 -12.612 -7.876 7.443 1.00 0.00 C ATOM 1091 O GLY A 73 -12.752 -8.357 8.567 1.00 0.00 O ATOM 0 H GLY A 73 -12.823 -8.357 4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.160 -8.218 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.255 -9.654 6.441 1.00 0.00 H new ATOM 1095 N ASN A 74 -11.984 -6.726 7.222 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.411 -5.946 8.313 1.00 0.00 C ATOM 1097 C ASN A 74 -11.068 -4.533 7.850 1.00 0.00 C ATOM 1098 O ASN A 74 -10.502 -4.342 6.773 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.157 -6.635 8.856 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.153 -5.647 9.419 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -9.304 -5.161 10.540 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.120 -5.345 8.640 1.00 0.00 N ATOM 0 H ASN A 74 -11.859 -6.314 6.298 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.154 -5.879 9.108 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.443 -7.342 9.635 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.688 -7.211 8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.412 -4.686 8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.035 -5.772 7.718 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.415 -3.547 8.670 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.145 -2.152 8.345 1.00 0.00 C ATOM 1111 C ARG A 75 -9.737 -1.755 8.780 1.00 0.00 C ATOM 1112 O ARG A 75 -9.280 -2.135 9.859 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.174 -1.241 9.017 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.459 0.033 8.239 1.00 0.00 C ATOM 1115 CD ARG A 75 -13.490 -0.201 7.146 1.00 0.00 C ATOM 1116 NE ARG A 75 -14.854 0.000 7.628 1.00 0.00 N ATOM 1117 CZ ARG A 75 -15.936 -0.334 6.933 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -15.813 -0.882 5.732 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -17.144 -0.121 7.440 1.00 0.00 N ATOM 0 H ARG A 75 -11.884 -3.688 9.565 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.219 -2.036 7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.105 -1.793 9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.818 -0.977 10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.818 0.804 8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.535 0.404 7.796 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.296 0.476 6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.387 -1.216 6.762 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.983 0.420 8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.886 -1.048 5.340 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.645 -1.138 5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.242 0.300 8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.974 -0.378 6.906 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.056 -0.988 7.935 1.00 0.00 N ATOM 1134 CA ILE A 76 -7.702 -0.539 8.233 1.00 0.00 C ATOM 1135 C ILE A 76 -7.693 0.915 8.693 1.00 0.00 C ATOM 1136 O ILE A 76 -8.604 1.681 8.378 1.00 0.00 O ATOM 1137 CB ILE A 76 -6.778 -0.685 7.009 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.365 0.063 5.810 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.570 -2.154 6.675 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.550 -0.093 4.544 1.00 0.00 C ATOM 0 H ILE A 76 -9.420 -0.665 7.039 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.329 -1.174 9.037 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.809 -0.247 7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.378 -0.297 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.442 1.122 6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.915 -2.241 5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.114 -2.660 7.526 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.532 -2.616 6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.024 0.463 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.544 0.293 4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.494 -1.148 4.275 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.658 1.288 9.437 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.529 2.651 9.938 1.00 0.00 C ATOM 1154 C ILE A 77 -5.302 3.339 9.349 1.00 0.00 C ATOM 1155 O ILE A 77 -4.168 2.926 9.594 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.432 2.679 11.475 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.602 1.914 12.096 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.405 4.115 11.977 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.454 1.688 13.584 1.00 0.00 C ATOM 0 H ILE A 77 -5.896 0.666 9.707 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.426 3.187 9.629 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.504 2.192 11.775 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.525 2.464 11.910 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.700 0.949 11.598 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.336 4.119 13.065 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.542 4.631 11.557 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.318 4.625 11.669 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.319 1.140 13.957 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.549 1.111 13.776 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.387 2.649 14.093 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.536 4.392 8.573 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.450 5.140 7.951 1.00 0.00 C ATOM 1173 C VAL A 78 -4.183 6.443 8.698 1.00 0.00 C ATOM 1174 O VAL A 78 -5.097 7.231 8.938 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.761 5.461 6.477 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.523 5.995 5.774 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.298 4.228 5.766 1.00 0.00 C ATOM 0 H VAL A 78 -6.468 4.747 8.360 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.563 4.508 7.998 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.529 6.234 6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.762 6.216 4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.187 6.905 6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.731 5.247 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.513 4.472 4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.554 3.432 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.213 3.895 6.256 1.00 0.00 H new ATOM 1187 N SER A 79 -2.923 6.662 9.061 1.00 0.00 N ATOM 1188 CA SER A 79 -2.535 7.867 9.784 1.00 0.00 C ATOM 1189 C SER A 79 -1.196 8.396 9.278 1.00 0.00 C ATOM 1190 O SER A 79 -0.345 7.631 8.823 1.00 0.00 O ATOM 1191 CB SER A 79 -2.450 7.583 11.285 1.00 0.00 C ATOM 1192 OG SER A 79 -2.782 8.734 12.041 1.00 0.00 O ATOM 0 H SER A 79 -2.154 6.021 8.866 1.00 0.00 H new ATOM 0 HA SER A 79 -3.296 8.627 9.609 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.126 6.767 11.543 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.442 7.255 11.540 1.00 0.00 H new ATOM 0 HG SER A 79 -2.722 8.526 12.997 1.00 0.00 H new ATOM 1198 N PHE A 80 -1.017 9.710 9.361 1.00 0.00 N ATOM 1199 CA PHE A 80 0.218 10.343 8.911 1.00 0.00 C ATOM 1200 C PHE A 80 1.305 10.232 9.975 1.00 0.00 C ATOM 1201 O PHE A 80 2.497 10.275 9.669 1.00 0.00 O ATOM 1202 CB PHE A 80 -0.033 11.815 8.574 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.629 12.025 7.211 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.831 11.426 6.867 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.011 12.820 6.275 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.381 11.617 5.614 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.535 13.015 5.021 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.734 12.414 4.690 1.00 0.00 C ATOM 0 H PHE A 80 -1.711 10.357 9.735 1.00 0.00 H new ATOM 0 HA PHE A 80 0.558 9.824 8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.700 12.242 9.323 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.909 12.360 8.638 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.343 10.804 7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.948 13.293 6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.317 11.143 5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.025 13.637 4.300 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.164 12.567 3.711 1.00 0.00 H new ATOM 1218 N THR A 81 0.886 10.088 11.229 1.00 0.00 N ATOM 1219 CA THR A 81 1.823 9.972 12.339 1.00 0.00 C ATOM 1220 C THR A 81 1.909 8.534 12.838 1.00 0.00 C ATOM 1221 O THR A 81 1.012 7.720 12.616 1.00 0.00 O ATOM 1222 CB THR A 81 1.420 10.886 13.511 1.00 0.00 C ATOM 1223 OG1 THR A 81 -0.006 10.962 13.607 1.00 0.00 O ATOM 1224 CG2 THR A 81 1.996 12.283 13.331 1.00 0.00 C ATOM 0 H THR A 81 -0.096 10.049 11.501 1.00 0.00 H new ATOM 0 HA THR A 81 2.798 10.282 11.964 1.00 0.00 H new ATOM 0 HB THR A 81 1.823 10.459 14.430 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.253 11.544 14.356 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.698 12.910 14.171 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.084 12.225 13.289 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.620 12.715 12.404 1.00 0.00 H new ATOM 1232 N PRO A 82 3.012 8.211 13.529 1.00 0.00 N ATOM 1233 CA PRO A 82 3.240 6.870 14.075 1.00 0.00 C ATOM 1234 C PRO A 82 2.302 6.548 15.233 1.00 0.00 C ATOM 1235 O PRO A 82 1.975 7.417 16.041 1.00 0.00 O ATOM 1236 CB PRO A 82 4.691 6.927 14.561 1.00 0.00 C ATOM 1237 CG PRO A 82 4.941 8.370 14.836 1.00 0.00 C ATOM 1238 CD PRO A 82 4.121 9.131 13.831 1.00 0.00 C ATOM 0 HA PRO A 82 3.054 6.092 13.335 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.833 6.323 15.457 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.377 6.543 13.806 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.650 8.629 15.854 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.000 8.609 14.737 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.760 10.075 14.239 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.699 9.370 12.939 1.00 0.00 H new ATOM 1246 N LYS A 83 1.872 5.293 15.308 1.00 0.00 N ATOM 1247 CA LYS A 83 0.973 4.854 16.369 1.00 0.00 C ATOM 1248 C LYS A 83 1.721 4.027 17.409 1.00 0.00 C ATOM 1249 O LYS A 83 1.238 2.985 17.851 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.179 4.035 15.782 1.00 0.00 C ATOM 1251 CG LYS A 83 -1.238 4.879 15.095 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.571 4.153 15.024 1.00 0.00 C ATOM 1253 CE LYS A 83 -3.437 4.457 16.237 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.214 5.715 16.063 1.00 0.00 N ATOM 0 H LYS A 83 2.132 4.562 14.646 1.00 0.00 H new ATOM 0 HA LYS A 83 0.569 5.740 16.859 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.224 3.319 15.066 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.647 3.459 16.580 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.362 5.818 15.634 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.906 5.132 14.088 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.098 4.447 14.116 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.398 3.079 14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.123 3.628 16.410 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.806 4.539 17.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.791 5.887 16.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.559 6.511 15.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.835 5.627 15.233 1.00 0.00 H new ATOM 1268 N ASN A 84 2.901 4.500 17.797 1.00 0.00 N ATOM 1269 CA ASN A 84 3.715 3.804 18.787 1.00 0.00 C ATOM 1270 C ASN A 84 3.292 4.183 20.203 1.00 0.00 C ATOM 1271 O ASN A 84 4.131 4.489 21.051 1.00 0.00 O ATOM 1272 CB ASN A 84 5.195 4.129 18.580 1.00 0.00 C ATOM 1273 CG ASN A 84 5.852 3.214 17.564 1.00 0.00 C ATOM 1274 OD1 ASN A 84 6.306 3.662 16.511 1.00 0.00 O ATOM 1275 ND2 ASN A 84 5.904 1.924 17.876 1.00 0.00 N ATOM 0 H ASN A 84 3.315 5.362 17.441 1.00 0.00 H new ATOM 0 HA ASN A 84 3.564 2.732 18.657 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.294 5.163 18.251 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.719 4.046 19.532 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.333 1.260 17.231 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.515 1.597 18.760 1.00 0.00 H new ATOM 1282 N ARG A 85 1.987 4.161 20.451 1.00 0.00 N ATOM 1283 CA ARG A 85 1.453 4.503 21.764 1.00 0.00 C ATOM 1284 C ARG A 85 1.899 5.900 22.185 1.00 0.00 C ATOM 1285 O ARG A 85 2.376 6.100 23.301 1.00 0.00 O ATOM 1286 CB ARG A 85 1.904 3.477 22.805 1.00 0.00 C ATOM 1287 CG ARG A 85 1.607 2.039 22.412 1.00 0.00 C ATOM 1288 CD ARG A 85 0.115 1.748 22.448 1.00 0.00 C ATOM 1289 NE ARG A 85 -0.203 0.444 21.873 1.00 0.00 N ATOM 1290 CZ ARG A 85 -1.439 0.042 21.600 1.00 0.00 C ATOM 1291 NH1 ARG A 85 -2.469 0.840 21.848 1.00 0.00 N ATOM 1292 NH2 ARG A 85 -1.648 -1.159 21.078 1.00 0.00 N ATOM 0 H ARG A 85 1.280 3.910 19.760 1.00 0.00 H new ATOM 0 HA ARG A 85 0.365 4.491 21.700 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.976 3.586 22.969 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.413 3.694 23.753 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.992 1.848 21.410 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.127 1.361 23.088 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.237 1.785 23.479 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.419 2.525 21.901 1.00 0.00 H new ATOM 0 HE ARG A 85 0.567 -0.194 21.670 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.313 1.765 22.249 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.417 0.529 21.637 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.859 -1.776 20.886 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.598 -1.466 20.869 1.00 0.00 H new ATOM 1306 N GLU A 86 1.739 6.864 21.283 1.00 0.00 N ATOM 1307 CA GLU A 86 2.127 8.242 21.561 1.00 0.00 C ATOM 1308 C GLU A 86 1.636 9.178 20.460 1.00 0.00 C ATOM 1309 O GLU A 86 1.524 8.783 19.298 1.00 0.00 O ATOM 1310 CB GLU A 86 3.647 8.350 21.697 1.00 0.00 C ATOM 1311 CG GLU A 86 4.392 8.132 20.391 1.00 0.00 C ATOM 1312 CD GLU A 86 4.253 9.302 19.438 1.00 0.00 C ATOM 1313 OE1 GLU A 86 4.149 10.450 19.918 1.00 0.00 O ATOM 1314 OE2 GLU A 86 4.247 9.070 18.211 1.00 0.00 O ATOM 0 H GLU A 86 1.344 6.716 20.354 1.00 0.00 H new ATOM 0 HA GLU A 86 1.663 8.540 22.501 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.899 9.335 22.089 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.991 7.618 22.428 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.448 7.964 20.603 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.017 7.229 19.909 1.00 0.00 H new ATOM 1321 N LEU A 87 1.346 10.419 20.833 1.00 0.00 N ATOM 1322 CA LEU A 87 0.866 11.413 19.878 1.00 0.00 C ATOM 1323 C LEU A 87 1.670 12.704 19.987 1.00 0.00 C ATOM 1324 O LEU A 87 2.222 13.189 18.999 1.00 0.00 O ATOM 1325 CB LEU A 87 -0.617 11.700 20.114 1.00 0.00 C ATOM 1326 CG LEU A 87 -1.564 10.508 19.968 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -2.927 10.834 20.558 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -1.695 10.106 18.507 1.00 0.00 C ATOM 0 H LEU A 87 1.435 10.762 21.790 1.00 0.00 H new ATOM 0 HA LEU A 87 0.996 11.010 18.874 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.732 12.109 21.118 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.932 12.476 19.416 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.145 9.666 20.519 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.587 9.974 20.445 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.818 11.071 21.616 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.354 11.690 20.036 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.373 9.256 18.423 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.091 10.944 17.933 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.716 9.829 18.117 1.00 0.00 H new ATOM 1340 N CYS A 88 1.733 13.256 21.194 1.00 0.00 N ATOM 1341 CA CYS A 88 2.471 14.491 21.433 1.00 0.00 C ATOM 1342 C CYS A 88 2.372 15.424 20.231 1.00 0.00 C ATOM 1343 O CYS A 88 3.371 15.994 19.792 1.00 0.00 O ATOM 1344 CB CYS A 88 3.938 14.183 21.736 1.00 0.00 C ATOM 1345 SG CYS A 88 4.283 13.882 23.485 1.00 0.00 S ATOM 0 H CYS A 88 1.282 12.868 22.022 1.00 0.00 H new ATOM 0 HA CYS A 88 2.027 14.990 22.295 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.241 13.308 21.161 1.00 0.00 H new ATOM 0 HB3 CYS A 88 4.551 15.017 21.394 1.00 0.00 H new ATOM 0 HG CYS A 88 5.549 13.628 23.640 1.00 0.00 H new ATOM 1351 N GLU A 89 1.162 15.574 19.702 1.00 0.00 N ATOM 1352 CA GLU A 89 0.934 16.436 18.548 1.00 0.00 C ATOM 1353 C GLU A 89 1.627 17.784 18.731 1.00 0.00 C ATOM 1354 O GLU A 89 1.833 18.242 19.855 1.00 0.00 O ATOM 1355 CB GLU A 89 -0.565 16.647 18.329 1.00 0.00 C ATOM 1356 CG GLU A 89 -1.266 15.446 17.718 1.00 0.00 C ATOM 1357 CD GLU A 89 -0.857 15.202 16.278 1.00 0.00 C ATOM 1358 OE1 GLU A 89 -1.156 16.061 15.422 1.00 0.00 O ATOM 1359 OE2 GLU A 89 -0.238 14.152 16.007 1.00 0.00 O ATOM 0 H GLU A 89 0.325 15.110 20.054 1.00 0.00 H new ATOM 0 HA GLU A 89 1.356 15.945 17.671 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.033 16.883 19.284 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.711 17.511 17.680 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.042 14.559 18.311 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.344 15.597 17.765 1.00 0.00 H new ATOM 1366 N THR A 90 1.986 18.414 17.617 1.00 0.00 N ATOM 1367 CA THR A 90 2.657 19.707 17.652 1.00 0.00 C ATOM 1368 C THR A 90 1.789 20.758 18.335 1.00 0.00 C ATOM 1369 O THR A 90 1.018 21.460 17.681 1.00 0.00 O ATOM 1370 CB THR A 90 3.014 20.194 16.235 1.00 0.00 C ATOM 1371 OG1 THR A 90 3.796 19.203 15.559 1.00 0.00 O ATOM 1372 CG2 THR A 90 3.784 21.505 16.291 1.00 0.00 C ATOM 0 H THR A 90 1.823 18.049 16.679 1.00 0.00 H new ATOM 0 HA THR A 90 3.576 19.571 18.223 1.00 0.00 H new ATOM 0 HB THR A 90 2.086 20.360 15.687 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.017 19.519 14.658 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.025 21.829 15.279 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.174 22.265 16.780 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.706 21.362 16.855 1.00 0.00 H new ATOM 1380 N SER A 91 1.921 20.862 19.654 1.00 0.00 N ATOM 1381 CA SER A 91 1.146 21.826 20.426 1.00 0.00 C ATOM 1382 C SER A 91 1.779 22.061 21.794 1.00 0.00 C ATOM 1383 O SER A 91 2.370 21.155 22.381 1.00 0.00 O ATOM 1384 CB SER A 91 -0.293 21.337 20.595 1.00 0.00 C ATOM 1385 OG SER A 91 -0.339 20.133 21.341 1.00 0.00 O ATOM 0 H SER A 91 2.557 20.291 20.210 1.00 0.00 H new ATOM 0 HA SER A 91 1.140 22.770 19.881 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.884 22.103 21.098 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.744 21.179 19.615 1.00 0.00 H new ATOM 0 HG SER A 91 0.208 19.452 20.897 1.00 0.00 H new ATOM 1391 N GLY A 92 1.651 23.285 22.296 1.00 0.00 N ATOM 1392 CA GLY A 92 2.215 23.619 23.591 1.00 0.00 C ATOM 1393 C GLY A 92 2.754 25.035 23.642 1.00 0.00 C ATOM 1394 O GLY A 92 3.948 25.274 23.459 1.00 0.00 O ATOM 0 H GLY A 92 1.167 24.052 21.829 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.451 23.497 24.359 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.017 22.920 23.825 1.00 0.00 H new ATOM 1398 N PRO A 93 1.861 26.003 23.893 1.00 0.00 N ATOM 1399 CA PRO A 93 2.231 27.420 23.971 1.00 0.00 C ATOM 1400 C PRO A 93 3.065 27.734 25.208 1.00 0.00 C ATOM 1401 O PRO A 93 2.936 27.074 26.239 1.00 0.00 O ATOM 1402 CB PRO A 93 0.879 28.136 24.042 1.00 0.00 C ATOM 1403 CG PRO A 93 -0.054 27.127 24.618 1.00 0.00 C ATOM 1404 CD PRO A 93 0.422 25.790 24.120 1.00 0.00 C ATOM 0 HA PRO A 93 2.848 27.727 23.127 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.935 29.026 24.668 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.551 28.461 23.055 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.044 27.164 25.707 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.079 27.319 24.302 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.243 25.002 24.851 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.090 25.497 23.204 1.00 0.00 H new ATOM 1412 N SER A 94 3.921 28.745 25.098 1.00 0.00 N ATOM 1413 CA SER A 94 4.779 29.144 26.207 1.00 0.00 C ATOM 1414 C SER A 94 4.601 30.625 26.526 1.00 0.00 C ATOM 1415 O SER A 94 4.405 31.446 25.629 1.00 0.00 O ATOM 1416 CB SER A 94 6.244 28.855 25.875 1.00 0.00 C ATOM 1417 OG SER A 94 6.454 27.470 25.660 1.00 0.00 O ATOM 0 H SER A 94 4.039 29.303 24.252 1.00 0.00 H new ATOM 0 HA SER A 94 4.491 28.564 27.084 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.535 29.413 24.985 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.880 29.200 26.690 1.00 0.00 H new ATOM 0 HG SER A 94 7.397 27.311 25.448 1.00 0.00 H new ATOM 1423 N SER A 95 4.671 30.960 27.810 1.00 0.00 N ATOM 1424 CA SER A 95 4.514 32.342 28.249 1.00 0.00 C ATOM 1425 C SER A 95 5.808 32.868 28.863 1.00 0.00 C ATOM 1426 O SER A 95 6.765 32.119 29.057 1.00 0.00 O ATOM 1427 CB SER A 95 3.374 32.450 29.265 1.00 0.00 C ATOM 1428 OG SER A 95 2.190 31.851 28.768 1.00 0.00 O ATOM 0 H SER A 95 4.835 30.294 28.565 1.00 0.00 H new ATOM 0 HA SER A 95 4.273 32.949 27.376 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.666 31.967 30.197 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.186 33.499 29.495 1.00 0.00 H new ATOM 0 HG SER A 95 1.477 31.932 29.436 1.00 0.00 H new ATOM 1434 N GLY A 96 5.830 34.162 29.165 1.00 0.00 N ATOM 1435 CA GLY A 96 7.011 34.767 29.752 1.00 0.00 C ATOM 1436 C GLY A 96 7.778 35.622 28.762 1.00 0.00 C ATOM 1437 O GLY A 96 8.649 36.400 29.149 1.00 0.00 O ATOM 0 H GLY A 96 5.051 34.803 29.014 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.716 35.379 30.604 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.665 33.983 30.134 1.00 0.00 H new TER 1441 GLY A 96