USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0158) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 13 THR OG1 : rot 162:sc= 1.04 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot -27:sc= 0.49 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 40:sc= 0.221 USER MOD Single : A 20 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.8!) USER MOD Single : A 21 SER OG : rot 28:sc= 0.291 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -143:sc= 0.954 (180deg=-0.85!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= 1.08 (180deg=0.639) USER MOD Single : A 39 ASN : amide:sc= -4.79! C(o=-4.8!,f=-12!) USER MOD Single : A 45 TYR OH : rot -39:sc= -0.0702 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0326) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.158 19.037 2.535 1.00 0.00 N ATOM 2 CA GLY A 1 -7.543 20.209 3.300 1.00 0.00 C ATOM 3 C GLY A 1 -7.132 20.111 4.756 1.00 0.00 C ATOM 4 O GLY A 1 -5.953 19.951 5.067 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.461 19.153 1.547 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.125 18.924 2.569 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.612 18.194 2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.088 21.095 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.623 20.341 3.239 1.00 0.00 H new ATOM 8 N SER A 2 -8.110 20.211 5.652 1.00 0.00 N ATOM 9 CA SER A 2 -7.844 20.139 7.084 1.00 0.00 C ATOM 10 C SER A 2 -7.081 18.863 7.431 1.00 0.00 C ATOM 11 O SER A 2 -6.012 18.913 8.039 1.00 0.00 O ATOM 12 CB SER A 2 -9.155 20.191 7.870 1.00 0.00 C ATOM 13 OG SER A 2 -8.923 20.525 9.228 1.00 0.00 O ATOM 0 H SER A 2 -9.093 20.342 5.411 1.00 0.00 H new ATOM 0 HA SER A 2 -7.229 20.996 7.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.823 20.926 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.657 19.225 7.810 1.00 0.00 H new ATOM 0 HG SER A 2 -9.777 20.553 9.708 1.00 0.00 H new ATOM 19 N SER A 3 -7.639 17.723 7.039 1.00 0.00 N ATOM 20 CA SER A 3 -7.014 16.433 7.311 1.00 0.00 C ATOM 21 C SER A 3 -5.704 16.291 6.542 1.00 0.00 C ATOM 22 O SER A 3 -5.696 16.237 5.313 1.00 0.00 O ATOM 23 CB SER A 3 -7.963 15.293 6.939 1.00 0.00 C ATOM 24 OG SER A 3 -7.673 14.123 7.682 1.00 0.00 O ATOM 0 H SER A 3 -8.522 17.665 6.532 1.00 0.00 H new ATOM 0 HA SER A 3 -6.797 16.381 8.378 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.993 15.599 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.880 15.080 5.873 1.00 0.00 H new ATOM 0 HG SER A 3 -8.295 13.410 7.426 1.00 0.00 H new ATOM 30 N GLY A 4 -4.597 16.231 7.275 1.00 0.00 N ATOM 31 CA GLY A 4 -3.296 16.096 6.646 1.00 0.00 C ATOM 32 C GLY A 4 -3.345 15.246 5.393 1.00 0.00 C ATOM 33 O GLY A 4 -4.102 14.277 5.320 1.00 0.00 O ATOM 0 H GLY A 4 -4.578 16.273 8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.912 17.085 6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.597 15.653 7.355 1.00 0.00 H new ATOM 37 N SER A 5 -2.536 15.607 4.402 1.00 0.00 N ATOM 38 CA SER A 5 -2.493 14.874 3.143 1.00 0.00 C ATOM 39 C SER A 5 -2.084 13.421 3.374 1.00 0.00 C ATOM 40 O SER A 5 -1.226 13.131 4.207 1.00 0.00 O ATOM 41 CB SER A 5 -1.517 15.541 2.172 1.00 0.00 C ATOM 42 OG SER A 5 -2.157 16.565 1.429 1.00 0.00 O ATOM 0 H SER A 5 -1.901 16.404 4.447 1.00 0.00 H new ATOM 0 HA SER A 5 -3.493 14.888 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.677 15.960 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.109 14.794 1.491 1.00 0.00 H new ATOM 0 HG SER A 5 -1.512 16.977 0.817 1.00 0.00 H new ATOM 48 N SER A 6 -2.707 12.513 2.629 1.00 0.00 N ATOM 49 CA SER A 6 -2.413 11.090 2.755 1.00 0.00 C ATOM 50 C SER A 6 -1.451 10.637 1.662 1.00 0.00 C ATOM 51 O SER A 6 -1.823 10.533 0.494 1.00 0.00 O ATOM 52 CB SER A 6 -3.704 10.273 2.685 1.00 0.00 C ATOM 53 OG SER A 6 -4.344 10.221 3.948 1.00 0.00 O ATOM 0 H SER A 6 -3.418 12.737 1.933 1.00 0.00 H new ATOM 0 HA SER A 6 -1.940 10.925 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.378 10.714 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.480 9.262 2.345 1.00 0.00 H new ATOM 0 HG SER A 6 -5.167 9.695 3.876 1.00 0.00 H new ATOM 59 N GLY A 7 -0.208 10.366 2.050 1.00 0.00 N ATOM 60 CA GLY A 7 0.790 9.926 1.092 1.00 0.00 C ATOM 61 C GLY A 7 2.190 10.369 1.469 1.00 0.00 C ATOM 62 O GLY A 7 2.859 11.056 0.699 1.00 0.00 O ATOM 0 H GLY A 7 0.126 10.443 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.764 8.839 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.541 10.319 0.106 1.00 0.00 H new ATOM 66 N GLU A 8 2.632 9.975 2.660 1.00 0.00 N ATOM 67 CA GLU A 8 3.962 10.337 3.137 1.00 0.00 C ATOM 68 C GLU A 8 5.009 9.346 2.637 1.00 0.00 C ATOM 69 O GLU A 8 6.094 9.739 2.210 1.00 0.00 O ATOM 70 CB GLU A 8 3.982 10.387 4.667 1.00 0.00 C ATOM 71 CG GLU A 8 3.461 11.696 5.240 1.00 0.00 C ATOM 72 CD GLU A 8 4.041 12.006 6.605 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.420 11.053 7.319 1.00 0.00 O ATOM 74 OE2 GLU A 8 4.116 13.201 6.961 1.00 0.00 O ATOM 0 H GLU A 8 2.090 9.406 3.311 1.00 0.00 H new ATOM 0 HA GLU A 8 4.205 11.324 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.382 9.565 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.003 10.229 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.700 12.509 4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.374 11.650 5.313 1.00 0.00 H new ATOM 81 N GLU A 9 4.675 8.061 2.695 1.00 0.00 N ATOM 82 CA GLU A 9 5.587 7.014 2.248 1.00 0.00 C ATOM 83 C GLU A 9 4.953 6.173 1.144 1.00 0.00 C ATOM 84 O GLU A 9 3.842 5.664 1.296 1.00 0.00 O ATOM 85 CB GLU A 9 5.984 6.118 3.423 1.00 0.00 C ATOM 86 CG GLU A 9 6.890 6.802 4.432 1.00 0.00 C ATOM 87 CD GLU A 9 7.417 5.847 5.485 1.00 0.00 C ATOM 88 OE1 GLU A 9 6.701 4.880 5.820 1.00 0.00 O ATOM 89 OE2 GLU A 9 8.545 6.066 5.975 1.00 0.00 O ATOM 0 H GLU A 9 3.780 7.720 3.047 1.00 0.00 H new ATOM 0 HA GLU A 9 6.480 7.493 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.081 5.778 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.487 5.231 3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.730 7.259 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.341 7.608 4.920 1.00 0.00 H new ATOM 96 N LYS A 10 5.665 6.033 0.032 1.00 0.00 N ATOM 97 CA LYS A 10 5.175 5.254 -1.098 1.00 0.00 C ATOM 98 C LYS A 10 5.804 3.865 -1.117 1.00 0.00 C ATOM 99 O LYS A 10 7.023 3.726 -1.222 1.00 0.00 O ATOM 100 CB LYS A 10 5.476 5.979 -2.413 1.00 0.00 C ATOM 101 CG LYS A 10 4.458 7.051 -2.764 1.00 0.00 C ATOM 102 CD LYS A 10 4.500 7.398 -4.242 1.00 0.00 C ATOM 103 CE LYS A 10 3.424 8.407 -4.609 1.00 0.00 C ATOM 104 NZ LYS A 10 2.112 7.750 -4.867 1.00 0.00 N ATOM 0 H LYS A 10 6.585 6.450 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 10 4.096 5.143 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.464 6.435 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.514 5.248 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.459 6.706 -2.499 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.653 7.946 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.480 7.802 -4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.367 6.492 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.315 9.131 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.733 8.961 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.370 8.475 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.163 7.208 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.885 7.108 -4.081 1.00 0.00 H new ATOM 118 N TYR A 11 4.965 2.840 -1.013 1.00 0.00 N ATOM 119 CA TYR A 11 5.439 1.461 -1.017 1.00 0.00 C ATOM 120 C TYR A 11 5.153 0.790 -2.356 1.00 0.00 C ATOM 121 O TYR A 11 4.550 1.387 -3.248 1.00 0.00 O ATOM 122 CB TYR A 11 4.781 0.670 0.114 1.00 0.00 C ATOM 123 CG TYR A 11 5.555 0.710 1.412 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.997 1.915 1.943 1.00 0.00 C ATOM 125 CD2 TYR A 11 5.846 -0.457 2.106 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.706 1.957 3.129 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.552 -0.425 3.293 1.00 0.00 C ATOM 128 CZ TYR A 11 6.980 0.783 3.801 1.00 0.00 C ATOM 129 OH TYR A 11 7.686 0.819 4.981 1.00 0.00 O ATOM 0 H TYR A 11 3.954 2.938 -0.925 1.00 0.00 H new ATOM 0 HA TYR A 11 6.518 1.474 -0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.779 1.064 0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.666 -0.368 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.783 2.835 1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.515 -1.406 1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.043 2.903 3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.768 -1.342 3.821 1.00 0.00 H new ATOM 0 HH TYR A 11 7.793 -0.092 5.326 1.00 0.00 H new ATOM 139 N VAL A 12 5.591 -0.459 -2.491 1.00 0.00 N ATOM 140 CA VAL A 12 5.381 -1.214 -3.720 1.00 0.00 C ATOM 141 C VAL A 12 4.843 -2.609 -3.423 1.00 0.00 C ATOM 142 O VAL A 12 5.210 -3.229 -2.425 1.00 0.00 O ATOM 143 CB VAL A 12 6.685 -1.341 -4.530 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.426 -2.049 -5.852 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.302 0.030 -4.763 1.00 0.00 C ATOM 0 H VAL A 12 6.093 -0.968 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 12 4.648 -0.663 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 12 7.392 -1.941 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.359 -2.129 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.031 -3.047 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.702 -1.479 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.223 -0.078 -5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.601 0.655 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.525 0.496 -3.803 1.00 0.00 H new ATOM 155 N THR A 13 3.968 -3.099 -4.297 1.00 0.00 N ATOM 156 CA THR A 13 3.377 -4.420 -4.128 1.00 0.00 C ATOM 157 C THR A 13 4.141 -5.470 -4.928 1.00 0.00 C ATOM 158 O THR A 13 4.237 -5.382 -6.152 1.00 0.00 O ATOM 159 CB THR A 13 1.900 -4.435 -4.562 1.00 0.00 C ATOM 160 OG1 THR A 13 1.803 -4.244 -5.978 1.00 0.00 O ATOM 161 CG2 THR A 13 1.114 -3.347 -3.845 1.00 0.00 C ATOM 0 H THR A 13 3.654 -2.600 -5.129 1.00 0.00 H new ATOM 0 HA THR A 13 3.438 -4.660 -3.066 1.00 0.00 H new ATOM 0 HB THR A 13 1.477 -5.404 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.920 -4.535 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.073 -3.377 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.165 -3.511 -2.769 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.540 -2.373 -4.084 1.00 0.00 H new ATOM 169 N VAL A 14 4.682 -6.462 -4.228 1.00 0.00 N ATOM 170 CA VAL A 14 5.436 -7.530 -4.874 1.00 0.00 C ATOM 171 C VAL A 14 4.542 -8.727 -5.180 1.00 0.00 C ATOM 172 O VAL A 14 4.951 -9.657 -5.873 1.00 0.00 O ATOM 173 CB VAL A 14 6.615 -7.994 -3.997 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.681 -6.913 -3.919 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.127 -8.375 -2.608 1.00 0.00 C ATOM 0 H VAL A 14 4.612 -6.548 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 14 5.825 -7.123 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 14 7.061 -8.877 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.505 -7.259 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.051 -6.694 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.252 -6.010 -3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.972 -8.700 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.655 -7.512 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.403 -9.186 -2.686 1.00 0.00 H new ATOM 185 N GLN A 15 3.320 -8.694 -4.658 1.00 0.00 N ATOM 186 CA GLN A 15 2.368 -9.777 -4.875 1.00 0.00 C ATOM 187 C GLN A 15 0.941 -9.243 -4.936 1.00 0.00 C ATOM 188 O GLN A 15 0.568 -8.314 -4.218 1.00 0.00 O ATOM 189 CB GLN A 15 2.487 -10.820 -3.763 1.00 0.00 C ATOM 190 CG GLN A 15 3.870 -11.442 -3.659 1.00 0.00 C ATOM 191 CD GLN A 15 3.977 -12.441 -2.523 1.00 0.00 C ATOM 192 OE1 GLN A 15 4.441 -12.109 -1.431 1.00 0.00 O ATOM 193 NE2 GLN A 15 3.546 -13.671 -2.774 1.00 0.00 N ATOM 0 H GLN A 15 2.966 -7.930 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 15 2.602 -10.247 -5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.235 -10.354 -2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.755 -11.609 -3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.112 -11.939 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.609 -10.654 -3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.169 -13.902 -3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.592 -14.386 -2.048 1.00 0.00 H new ATOM 202 N PRO A 16 0.122 -9.840 -5.814 1.00 0.00 N ATOM 203 CA PRO A 16 -1.277 -9.441 -5.990 1.00 0.00 C ATOM 204 C PRO A 16 -2.140 -9.807 -4.787 1.00 0.00 C ATOM 205 O PRO A 16 -1.863 -10.780 -4.085 1.00 0.00 O ATOM 206 CB PRO A 16 -1.720 -10.230 -7.224 1.00 0.00 C ATOM 207 CG PRO A 16 -0.820 -11.417 -7.257 1.00 0.00 C ATOM 208 CD PRO A 16 0.499 -10.953 -6.702 1.00 0.00 C ATOM 0 HA PRO A 16 -1.381 -8.361 -6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.766 -10.528 -7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.623 -9.634 -8.131 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.229 -12.233 -6.661 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.705 -11.791 -8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.008 -11.748 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.175 -10.626 -7.492 1.00 0.00 H new ATOM 216 N TYR A 17 -3.186 -9.021 -4.554 1.00 0.00 N ATOM 217 CA TYR A 17 -4.088 -9.261 -3.433 1.00 0.00 C ATOM 218 C TYR A 17 -5.544 -9.205 -3.884 1.00 0.00 C ATOM 219 O TYR A 17 -5.914 -8.391 -4.733 1.00 0.00 O ATOM 220 CB TYR A 17 -3.845 -8.233 -2.326 1.00 0.00 C ATOM 221 CG TYR A 17 -4.617 -8.517 -1.058 1.00 0.00 C ATOM 222 CD1 TYR A 17 -5.928 -8.084 -0.907 1.00 0.00 C ATOM 223 CD2 TYR A 17 -4.034 -9.217 -0.008 1.00 0.00 C ATOM 224 CE1 TYR A 17 -6.637 -8.341 0.251 1.00 0.00 C ATOM 225 CE2 TYR A 17 -4.735 -9.479 1.153 1.00 0.00 C ATOM 226 CZ TYR A 17 -6.036 -9.039 1.278 1.00 0.00 C ATOM 227 OH TYR A 17 -6.737 -9.297 2.433 1.00 0.00 O ATOM 0 H TYR A 17 -3.430 -8.213 -5.126 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.885 -10.259 -3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.780 -8.205 -2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.118 -7.244 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.402 -7.537 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.015 -9.562 -0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.656 -7.997 0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.267 -10.025 1.958 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.420 -8.606 2.563 1.00 0.00 H new ATOM 237 N THR A 18 -6.369 -10.076 -3.311 1.00 0.00 N ATOM 238 CA THR A 18 -7.784 -10.127 -3.654 1.00 0.00 C ATOM 239 C THR A 18 -8.651 -9.695 -2.476 1.00 0.00 C ATOM 240 O THR A 18 -8.751 -10.403 -1.474 1.00 0.00 O ATOM 241 CB THR A 18 -8.206 -11.542 -4.093 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.284 -12.046 -5.068 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.611 -11.532 -4.674 1.00 0.00 C ATOM 0 H THR A 18 -6.081 -10.756 -2.607 1.00 0.00 H new ATOM 0 HA THR A 18 -7.932 -9.437 -4.485 1.00 0.00 H new ATOM 0 HB THR A 18 -8.198 -12.189 -3.216 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.557 -12.947 -5.342 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.887 -12.542 -4.977 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.313 -11.174 -3.921 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.641 -10.872 -5.541 1.00 0.00 H new ATOM 251 N SER A 19 -9.275 -8.529 -2.604 1.00 0.00 N ATOM 252 CA SER A 19 -10.132 -8.001 -1.548 1.00 0.00 C ATOM 253 C SER A 19 -11.311 -8.933 -1.288 1.00 0.00 C ATOM 254 O SER A 19 -12.208 -9.063 -2.121 1.00 0.00 O ATOM 255 CB SER A 19 -10.641 -6.608 -1.924 1.00 0.00 C ATOM 256 OG SER A 19 -11.172 -6.597 -3.238 1.00 0.00 O ATOM 0 H SER A 19 -9.204 -7.932 -3.428 1.00 0.00 H new ATOM 0 HA SER A 19 -9.540 -7.930 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.408 -6.294 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.826 -5.888 -1.852 1.00 0.00 H new ATOM 0 HG SER A 19 -11.675 -7.424 -3.395 1.00 0.00 H new ATOM 262 N GLN A 20 -11.302 -9.578 -0.126 1.00 0.00 N ATOM 263 CA GLN A 20 -12.371 -10.499 0.244 1.00 0.00 C ATOM 264 C GLN A 20 -13.178 -9.952 1.416 1.00 0.00 C ATOM 265 O GLN A 20 -13.773 -10.712 2.181 1.00 0.00 O ATOM 266 CB GLN A 20 -11.791 -11.868 0.603 1.00 0.00 C ATOM 267 CG GLN A 20 -11.255 -12.635 -0.595 1.00 0.00 C ATOM 268 CD GLN A 20 -11.185 -14.129 -0.349 1.00 0.00 C ATOM 269 OE1 GLN A 20 -11.914 -14.667 0.486 1.00 0.00 O ATOM 270 NE2 GLN A 20 -10.306 -14.810 -1.074 1.00 0.00 N ATOM 0 H GLN A 20 -10.567 -9.480 0.575 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.036 -10.608 -0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.988 -11.734 1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.563 -12.464 1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.891 -12.443 -1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.260 -12.265 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.722 -14.325 -1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.215 -15.818 -0.950 1.00 0.00 H new ATOM 279 N SER A 21 -13.195 -8.630 1.553 1.00 0.00 N ATOM 280 CA SER A 21 -13.926 -7.982 2.634 1.00 0.00 C ATOM 281 C SER A 21 -14.372 -6.581 2.227 1.00 0.00 C ATOM 282 O SER A 21 -13.788 -5.967 1.332 1.00 0.00 O ATOM 283 CB SER A 21 -13.059 -7.908 3.892 1.00 0.00 C ATOM 284 OG SER A 21 -13.155 -9.102 4.649 1.00 0.00 O ATOM 0 H SER A 21 -12.710 -7.987 0.928 1.00 0.00 H new ATOM 0 HA SER A 21 -14.813 -8.579 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.020 -7.734 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.370 -7.061 4.503 1.00 0.00 H new ATOM 0 HG SER A 21 -13.367 -9.851 4.053 1.00 0.00 H new ATOM 290 N LYS A 22 -15.408 -6.080 2.889 1.00 0.00 N ATOM 291 CA LYS A 22 -15.933 -4.751 2.598 1.00 0.00 C ATOM 292 C LYS A 22 -14.875 -3.681 2.849 1.00 0.00 C ATOM 293 O LYS A 22 -14.882 -2.627 2.214 1.00 0.00 O ATOM 294 CB LYS A 22 -17.171 -4.470 3.453 1.00 0.00 C ATOM 295 CG LYS A 22 -16.891 -4.475 4.946 1.00 0.00 C ATOM 296 CD LYS A 22 -18.118 -4.070 5.745 1.00 0.00 C ATOM 297 CE LYS A 22 -17.933 -4.341 7.230 1.00 0.00 C ATOM 298 NZ LYS A 22 -19.082 -3.841 8.033 1.00 0.00 N ATOM 0 H LYS A 22 -15.902 -6.575 3.632 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.212 -4.721 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.584 -3.501 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.933 -5.218 3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.568 -5.470 5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.071 -3.791 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.320 -3.010 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.987 -4.617 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.816 -5.413 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.015 -3.865 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.917 -4.045 9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.178 -2.814 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.955 -4.314 7.722 1.00 0.00 H new ATOM 312 N ASP A 23 -13.966 -3.961 3.777 1.00 0.00 N ATOM 313 CA ASP A 23 -12.899 -3.024 4.109 1.00 0.00 C ATOM 314 C ASP A 23 -11.550 -3.540 3.619 1.00 0.00 C ATOM 315 O ASP A 23 -10.523 -3.323 4.262 1.00 0.00 O ATOM 316 CB ASP A 23 -12.852 -2.788 5.619 1.00 0.00 C ATOM 317 CG ASP A 23 -12.349 -1.401 5.973 1.00 0.00 C ATOM 318 OD1 ASP A 23 -12.921 -0.415 5.462 1.00 0.00 O ATOM 319 OD2 ASP A 23 -11.387 -1.303 6.761 1.00 0.00 O ATOM 0 H ASP A 23 -13.947 -4.829 4.312 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.109 -2.079 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.849 -2.927 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.206 -3.535 6.081 1.00 0.00 H new ATOM 324 N GLU A 24 -11.562 -4.225 2.480 1.00 0.00 N ATOM 325 CA GLU A 24 -10.339 -4.774 1.906 1.00 0.00 C ATOM 326 C GLU A 24 -10.134 -4.271 0.480 1.00 0.00 C ATOM 327 O GLU A 24 -11.089 -4.137 -0.285 1.00 0.00 O ATOM 328 CB GLU A 24 -10.384 -6.303 1.919 1.00 0.00 C ATOM 329 CG GLU A 24 -9.818 -6.918 3.187 1.00 0.00 C ATOM 330 CD GLU A 24 -8.349 -6.600 3.384 1.00 0.00 C ATOM 331 OE1 GLU A 24 -7.563 -6.812 2.436 1.00 0.00 O ATOM 332 OE2 GLU A 24 -7.983 -6.140 4.486 1.00 0.00 O ATOM 0 H GLU A 24 -12.405 -4.413 1.937 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.500 -4.438 2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.417 -6.629 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.827 -6.682 1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.383 -6.555 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.950 -7.999 3.152 1.00 0.00 H new ATOM 339 N ILE A 25 -8.881 -3.995 0.131 1.00 0.00 N ATOM 340 CA ILE A 25 -8.551 -3.509 -1.202 1.00 0.00 C ATOM 341 C ILE A 25 -7.674 -4.507 -1.950 1.00 0.00 C ATOM 342 O ILE A 25 -6.742 -5.076 -1.384 1.00 0.00 O ATOM 343 CB ILE A 25 -7.827 -2.151 -1.144 1.00 0.00 C ATOM 344 CG1 ILE A 25 -7.852 -1.474 -2.515 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.395 -2.334 -0.662 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.573 0.011 -2.462 1.00 0.00 C ATOM 0 H ILE A 25 -8.079 -4.100 0.753 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.494 -3.386 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.349 -1.509 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.114 -1.951 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.828 -1.636 -2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.896 -1.365 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.400 -2.776 0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.861 -2.992 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.607 0.424 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.325 0.501 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.585 0.181 -2.034 1.00 0.00 H new ATOM 358 N GLY A 26 -7.977 -4.714 -3.229 1.00 0.00 N ATOM 359 CA GLY A 26 -7.207 -5.642 -4.034 1.00 0.00 C ATOM 360 C GLY A 26 -6.349 -4.939 -5.068 1.00 0.00 C ATOM 361 O GLY A 26 -6.862 -4.220 -5.925 1.00 0.00 O ATOM 0 H GLY A 26 -8.743 -4.254 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.569 -6.240 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.885 -6.331 -4.537 1.00 0.00 H new ATOM 365 N PHE A 27 -5.039 -5.146 -4.987 1.00 0.00 N ATOM 366 CA PHE A 27 -4.107 -4.524 -5.921 1.00 0.00 C ATOM 367 C PHE A 27 -3.287 -5.581 -6.654 1.00 0.00 C ATOM 368 O PHE A 27 -3.166 -6.716 -6.196 1.00 0.00 O ATOM 369 CB PHE A 27 -3.176 -3.561 -5.182 1.00 0.00 C ATOM 370 CG PHE A 27 -2.642 -4.115 -3.892 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.734 -5.162 -3.896 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.049 -3.590 -2.676 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.240 -5.673 -2.712 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.557 -4.098 -1.488 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.652 -5.142 -1.505 1.00 0.00 C ATOM 0 H PHE A 27 -4.598 -5.740 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.686 -3.964 -6.655 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.339 -3.306 -5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.713 -2.635 -4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.409 -5.583 -4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.758 -2.775 -2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.531 -6.488 -2.730 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.880 -3.679 -0.547 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.268 -5.541 -0.578 1.00 0.00 H new ATOM 385 N GLU A 28 -2.724 -5.197 -7.796 1.00 0.00 N ATOM 386 CA GLU A 28 -1.916 -6.112 -8.594 1.00 0.00 C ATOM 387 C GLU A 28 -0.441 -6.005 -8.216 1.00 0.00 C ATOM 388 O GLU A 28 -0.053 -5.155 -7.414 1.00 0.00 O ATOM 389 CB GLU A 28 -2.093 -5.818 -10.085 1.00 0.00 C ATOM 390 CG GLU A 28 -3.547 -5.756 -10.523 1.00 0.00 C ATOM 391 CD GLU A 28 -3.730 -6.112 -11.985 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.013 -5.538 -12.831 1.00 0.00 O ATOM 393 OE2 GLU A 28 -4.593 -6.965 -12.284 1.00 0.00 O ATOM 0 H GLU A 28 -2.813 -4.260 -8.189 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.255 -7.128 -8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.610 -4.869 -10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.581 -6.588 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.137 -6.438 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.934 -4.752 -10.346 1.00 0.00 H new ATOM 400 N LYS A 29 0.378 -6.875 -8.798 1.00 0.00 N ATOM 401 CA LYS A 29 1.810 -6.880 -8.525 1.00 0.00 C ATOM 402 C LYS A 29 2.560 -6.022 -9.539 1.00 0.00 C ATOM 403 O LYS A 29 2.441 -6.224 -10.746 1.00 0.00 O ATOM 404 CB LYS A 29 2.350 -8.312 -8.553 1.00 0.00 C ATOM 405 CG LYS A 29 3.845 -8.392 -8.812 1.00 0.00 C ATOM 406 CD LYS A 29 4.300 -9.829 -9.010 1.00 0.00 C ATOM 407 CE LYS A 29 5.811 -9.922 -9.142 1.00 0.00 C ATOM 408 NZ LYS A 29 6.477 -10.061 -7.817 1.00 0.00 N ATOM 0 H LYS A 29 0.074 -7.586 -9.463 1.00 0.00 H new ATOM 0 HA LYS A 29 1.967 -6.458 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.128 -8.794 -7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.825 -8.875 -9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.094 -7.805 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.385 -7.951 -7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.969 -10.436 -8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.830 -10.241 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.069 -10.775 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.187 -9.031 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.370 -9.528 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.853 -9.687 -7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.673 -11.065 -7.631 1.00 0.00 H new ATOM 422 N GLY A 30 3.335 -5.064 -9.039 1.00 0.00 N ATOM 423 CA GLY A 30 4.094 -4.191 -9.914 1.00 0.00 C ATOM 424 C GLY A 30 3.498 -2.801 -10.006 1.00 0.00 C ATOM 425 O GLY A 30 3.641 -2.122 -11.024 1.00 0.00 O ATOM 0 H GLY A 30 3.450 -4.877 -8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.119 -4.120 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.139 -4.630 -10.911 1.00 0.00 H new ATOM 429 N VAL A 31 2.825 -2.375 -8.942 1.00 0.00 N ATOM 430 CA VAL A 31 2.203 -1.057 -8.907 1.00 0.00 C ATOM 431 C VAL A 31 2.707 -0.243 -7.720 1.00 0.00 C ATOM 432 O VAL A 31 3.590 -0.682 -6.982 1.00 0.00 O ATOM 433 CB VAL A 31 0.669 -1.162 -8.829 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.101 -1.669 -10.145 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.255 -2.065 -7.677 1.00 0.00 C ATOM 0 H VAL A 31 2.697 -2.924 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 31 2.478 -0.552 -9.833 1.00 0.00 H new ATOM 0 HB VAL A 31 0.263 -0.167 -8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.984 -1.737 -10.071 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.368 -0.980 -10.946 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.512 -2.655 -10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.832 -2.128 -7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.671 -3.061 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.630 -1.654 -6.740 1.00 0.00 H new ATOM 445 N THR A 32 2.140 0.946 -7.542 1.00 0.00 N ATOM 446 CA THR A 32 2.532 1.823 -6.445 1.00 0.00 C ATOM 447 C THR A 32 1.351 2.117 -5.528 1.00 0.00 C ATOM 448 O THR A 32 0.227 2.317 -5.990 1.00 0.00 O ATOM 449 CB THR A 32 3.106 3.154 -6.968 1.00 0.00 C ATOM 450 OG1 THR A 32 4.322 2.914 -7.686 1.00 0.00 O ATOM 451 CG2 THR A 32 3.370 4.116 -5.820 1.00 0.00 C ATOM 0 H THR A 32 1.408 1.324 -8.143 1.00 0.00 H new ATOM 0 HA THR A 32 3.304 1.299 -5.881 1.00 0.00 H new ATOM 0 HB THR A 32 2.373 3.604 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.680 3.764 -8.017 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.775 5.049 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.437 4.318 -5.293 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.087 3.671 -5.130 1.00 0.00 H new ATOM 459 N VAL A 33 1.612 2.143 -4.225 1.00 0.00 N ATOM 460 CA VAL A 33 0.570 2.414 -3.242 1.00 0.00 C ATOM 461 C VAL A 33 1.022 3.470 -2.239 1.00 0.00 C ATOM 462 O VAL A 33 2.131 3.996 -2.335 1.00 0.00 O ATOM 463 CB VAL A 33 0.170 1.137 -2.479 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.455 0.124 -3.426 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.376 0.542 -1.769 1.00 0.00 C ATOM 0 H VAL A 33 2.536 1.980 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.294 2.785 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.572 1.401 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.731 -0.772 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.345 0.555 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.263 -0.139 -4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.076 -0.359 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.143 0.291 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.775 1.267 -1.060 1.00 0.00 H new ATOM 475 N GLU A 34 0.156 3.776 -1.278 1.00 0.00 N ATOM 476 CA GLU A 34 0.467 4.771 -0.259 1.00 0.00 C ATOM 477 C GLU A 34 0.083 4.266 1.129 1.00 0.00 C ATOM 478 O GLU A 34 -1.093 4.037 1.415 1.00 0.00 O ATOM 479 CB GLU A 34 -0.261 6.084 -0.555 1.00 0.00 C ATOM 480 CG GLU A 34 0.512 7.013 -1.475 1.00 0.00 C ATOM 481 CD GLU A 34 -0.392 7.966 -2.235 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.173 7.490 -3.086 1.00 0.00 O ATOM 483 OE2 GLU A 34 -0.318 9.185 -1.980 1.00 0.00 O ATOM 0 H GLU A 34 -0.766 3.349 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 34 1.542 4.949 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.227 5.860 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.460 6.599 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.228 7.588 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.087 6.419 -2.185 1.00 0.00 H new ATOM 490 N VAL A 35 1.082 4.092 1.988 1.00 0.00 N ATOM 491 CA VAL A 35 0.850 3.615 3.345 1.00 0.00 C ATOM 492 C VAL A 35 0.342 4.738 4.244 1.00 0.00 C ATOM 493 O VAL A 35 1.084 5.662 4.577 1.00 0.00 O ATOM 494 CB VAL A 35 2.132 3.021 3.958 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.843 2.426 5.328 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.733 1.977 3.030 1.00 0.00 C ATOM 0 H VAL A 35 2.061 4.275 1.767 1.00 0.00 H new ATOM 0 HA VAL A 35 0.092 2.835 3.281 1.00 0.00 H new ATOM 0 HB VAL A 35 2.859 3.823 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.760 2.011 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.463 3.204 5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.098 1.636 5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.638 1.568 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.013 1.174 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.980 2.439 2.074 1.00 0.00 H new ATOM 506 N ILE A 36 -0.925 4.649 4.632 1.00 0.00 N ATOM 507 CA ILE A 36 -1.532 5.657 5.493 1.00 0.00 C ATOM 508 C ILE A 36 -1.243 5.370 6.963 1.00 0.00 C ATOM 509 O ILE A 36 -0.567 6.147 7.636 1.00 0.00 O ATOM 510 CB ILE A 36 -3.056 5.730 5.286 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.379 6.034 3.822 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.663 6.786 6.198 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.698 5.454 3.361 1.00 0.00 C ATOM 0 H ILE A 36 -1.551 3.890 4.364 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.090 6.615 5.218 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.490 4.763 5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.397 7.114 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.580 5.642 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.741 6.826 6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.457 6.531 7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.226 7.758 5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.861 5.709 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.677 4.370 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.507 5.865 3.965 1.00 0.00 H new ATOM 525 N ARG A 37 -1.759 4.247 7.453 1.00 0.00 N ATOM 526 CA ARG A 37 -1.556 3.856 8.843 1.00 0.00 C ATOM 527 C ARG A 37 -1.063 2.416 8.936 1.00 0.00 C ATOM 528 O ARG A 37 -1.773 1.480 8.564 1.00 0.00 O ATOM 529 CB ARG A 37 -2.856 4.015 9.634 1.00 0.00 C ATOM 530 CG ARG A 37 -3.251 5.463 9.874 1.00 0.00 C ATOM 531 CD ARG A 37 -2.316 6.139 10.864 1.00 0.00 C ATOM 532 NE ARG A 37 -2.948 7.279 11.523 1.00 0.00 N ATOM 533 CZ ARG A 37 -2.291 8.136 12.297 1.00 0.00 C ATOM 534 NH1 ARG A 37 -0.991 7.983 12.509 1.00 0.00 N ATOM 535 NH2 ARG A 37 -2.936 9.150 12.862 1.00 0.00 N ATOM 0 H ARG A 37 -2.320 3.592 6.908 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.796 4.509 9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.661 3.512 9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.750 3.512 10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.237 6.006 8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.273 5.505 10.250 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.999 5.416 11.615 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.418 6.473 10.344 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.948 7.425 11.381 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.492 7.205 12.077 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.490 8.643 13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.936 9.271 12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.431 9.808 13.456 1.00 0.00 H new ATOM 549 N LYS A 38 0.156 2.244 9.435 1.00 0.00 N ATOM 550 CA LYS A 38 0.745 0.918 9.578 1.00 0.00 C ATOM 551 C LYS A 38 0.732 0.472 11.037 1.00 0.00 C ATOM 552 O LYS A 38 0.815 1.295 11.948 1.00 0.00 O ATOM 553 CB LYS A 38 2.180 0.915 9.046 1.00 0.00 C ATOM 554 CG LYS A 38 3.060 1.990 9.660 1.00 0.00 C ATOM 555 CD LYS A 38 4.523 1.784 9.304 1.00 0.00 C ATOM 556 CE LYS A 38 4.811 2.198 7.869 1.00 0.00 C ATOM 557 NZ LYS A 38 5.144 3.646 7.767 1.00 0.00 N ATOM 0 H LYS A 38 0.756 3.007 9.748 1.00 0.00 H new ATOM 0 HA LYS A 38 0.147 0.217 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.627 -0.061 9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.158 1.050 7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.735 2.970 9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.944 1.982 10.744 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.149 2.363 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.788 0.736 9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.639 1.606 7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.943 1.980 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.724 3.810 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.267 4.200 7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.674 3.941 8.612 1.00 0.00 H new ATOM 571 N ASN A 39 0.628 -0.836 11.250 1.00 0.00 N ATOM 572 CA ASN A 39 0.604 -1.391 12.599 1.00 0.00 C ATOM 573 C ASN A 39 1.372 -2.709 12.658 1.00 0.00 C ATOM 574 O ASN A 39 1.957 -3.143 11.665 1.00 0.00 O ATOM 575 CB ASN A 39 -0.838 -1.607 13.059 1.00 0.00 C ATOM 576 CG ASN A 39 -1.528 -2.721 12.298 1.00 0.00 C ATOM 577 OD1 ASN A 39 -0.921 -3.377 11.450 1.00 0.00 O ATOM 578 ND2 ASN A 39 -2.803 -2.943 12.597 1.00 0.00 N ATOM 0 H ASN A 39 0.559 -1.531 10.507 1.00 0.00 H new ATOM 0 HA ASN A 39 1.088 -0.678 13.267 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.845 -1.840 14.124 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.400 -0.682 12.931 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.318 -3.681 12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.267 -2.375 13.306 1.00 0.00 H new ATOM 585 N LEU A 40 1.363 -3.340 13.827 1.00 0.00 N ATOM 586 CA LEU A 40 2.057 -4.609 14.016 1.00 0.00 C ATOM 587 C LEU A 40 1.125 -5.785 13.743 1.00 0.00 C ATOM 588 O LEU A 40 1.567 -6.929 13.644 1.00 0.00 O ATOM 589 CB LEU A 40 2.612 -4.702 15.438 1.00 0.00 C ATOM 590 CG LEU A 40 3.893 -5.522 15.607 1.00 0.00 C ATOM 591 CD1 LEU A 40 3.661 -6.964 15.183 1.00 0.00 C ATOM 592 CD2 LEU A 40 5.030 -4.906 14.807 1.00 0.00 C ATOM 0 H LEU A 40 0.883 -2.994 14.658 1.00 0.00 H new ATOM 0 HA LEU A 40 2.884 -4.652 13.307 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.801 -3.691 15.800 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.842 -5.131 16.080 1.00 0.00 H new ATOM 0 HG LEU A 40 4.171 -5.514 16.661 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.582 -7.533 15.310 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.876 -7.403 15.799 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.359 -6.991 14.136 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.933 -5.502 14.939 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.761 -4.884 13.751 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.212 -3.890 15.157 1.00 0.00 H new ATOM 604 N GLU A 41 -0.167 -5.495 13.622 1.00 0.00 N ATOM 605 CA GLU A 41 -1.161 -6.529 13.360 1.00 0.00 C ATOM 606 C GLU A 41 -1.211 -6.870 11.873 1.00 0.00 C ATOM 607 O GLU A 41 -2.286 -6.956 11.281 1.00 0.00 O ATOM 608 CB GLU A 41 -2.541 -6.073 13.837 1.00 0.00 C ATOM 609 CG GLU A 41 -2.763 -6.262 15.328 1.00 0.00 C ATOM 610 CD GLU A 41 -2.704 -7.719 15.747 1.00 0.00 C ATOM 611 OE1 GLU A 41 -3.224 -8.573 14.999 1.00 0.00 O ATOM 612 OE2 GLU A 41 -2.136 -8.004 16.822 1.00 0.00 O ATOM 0 H GLU A 41 -0.549 -4.553 13.701 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.872 -7.424 13.911 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.672 -5.020 13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.306 -6.626 13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.009 -5.699 15.878 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.733 -5.848 15.602 1.00 0.00 H new ATOM 619 N GLY A 42 -0.039 -7.062 11.276 1.00 0.00 N ATOM 620 CA GLY A 42 0.029 -7.391 9.864 1.00 0.00 C ATOM 621 C GLY A 42 -1.046 -6.694 9.054 1.00 0.00 C ATOM 622 O GLY A 42 -1.609 -7.277 8.127 1.00 0.00 O ATOM 0 H GLY A 42 0.865 -6.996 11.745 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.009 -7.113 9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.069 -8.470 9.740 1.00 0.00 H new ATOM 626 N TRP A 43 -1.332 -5.446 9.404 1.00 0.00 N ATOM 627 CA TRP A 43 -2.348 -4.670 8.704 1.00 0.00 C ATOM 628 C TRP A 43 -1.897 -3.225 8.516 1.00 0.00 C ATOM 629 O TRP A 43 -1.891 -2.440 9.463 1.00 0.00 O ATOM 630 CB TRP A 43 -3.670 -4.708 9.473 1.00 0.00 C ATOM 631 CG TRP A 43 -4.486 -5.932 9.192 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.877 -6.883 10.092 1.00 0.00 C ATOM 633 CD2 TRP A 43 -5.010 -6.341 7.922 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.612 -7.856 9.459 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.708 -7.546 8.127 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.957 -5.803 6.633 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.347 -8.221 7.091 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.592 -6.475 5.606 1.00 0.00 C ATOM 639 CH2 TRP A 43 -6.280 -7.673 5.840 1.00 0.00 C ATOM 0 H TRP A 43 -0.875 -4.950 10.169 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.495 -5.116 7.720 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.462 -4.656 10.542 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.255 -3.824 9.219 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.643 -6.871 11.146 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.020 -8.676 9.907 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.430 -4.880 6.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.877 -9.145 7.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.557 -6.070 4.606 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.767 -8.173 5.016 1.00 0.00 H new ATOM 650 N TRP A 44 -1.522 -2.882 7.289 1.00 0.00 N ATOM 651 CA TRP A 44 -1.069 -1.531 6.978 1.00 0.00 C ATOM 652 C TRP A 44 -2.055 -0.826 6.054 1.00 0.00 C ATOM 653 O TRP A 44 -2.090 -1.089 4.852 1.00 0.00 O ATOM 654 CB TRP A 44 0.316 -1.571 6.331 1.00 0.00 C ATOM 655 CG TRP A 44 1.418 -1.871 7.303 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.286 -2.417 8.547 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.818 -1.639 7.110 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.520 -2.538 9.140 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.476 -2.070 8.278 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.578 -1.113 6.063 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.858 -1.986 8.427 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.950 -1.031 6.212 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.578 -1.467 7.386 1.00 0.00 C ATOM 0 H TRP A 44 -1.523 -3.520 6.493 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.010 -0.971 7.911 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.320 -2.325 5.544 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.514 -0.611 5.853 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.350 -2.711 8.999 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.695 -2.915 10.071 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.103 -0.776 5.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.344 -2.319 9.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.548 -0.624 5.410 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.652 -1.392 7.471 1.00 0.00 H new ATOM 674 N TYR A 45 -2.855 0.071 6.623 1.00 0.00 N ATOM 675 CA TYR A 45 -3.843 0.812 5.849 1.00 0.00 C ATOM 676 C TYR A 45 -3.178 1.589 4.718 1.00 0.00 C ATOM 677 O TYR A 45 -2.293 2.412 4.952 1.00 0.00 O ATOM 678 CB TYR A 45 -4.616 1.770 6.756 1.00 0.00 C ATOM 679 CG TYR A 45 -5.995 2.114 6.238 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.961 1.130 6.068 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.331 3.424 5.919 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.220 1.440 5.595 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.590 3.743 5.447 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.531 2.748 5.286 1.00 0.00 C ATOM 685 OH TYR A 45 -9.786 3.061 4.814 1.00 0.00 O ATOM 0 H TYR A 45 -2.838 0.301 7.616 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.538 0.095 5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.710 1.324 7.746 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.042 2.689 6.874 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.723 0.105 6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.596 4.206 6.042 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.958 0.662 5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.836 4.767 5.205 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.089 2.359 4.200 1.00 0.00 H new ATOM 695 N ILE A 46 -3.611 1.322 3.490 1.00 0.00 N ATOM 696 CA ILE A 46 -3.060 1.997 2.322 1.00 0.00 C ATOM 697 C ILE A 46 -4.165 2.427 1.363 1.00 0.00 C ATOM 698 O ILE A 46 -5.317 2.017 1.504 1.00 0.00 O ATOM 699 CB ILE A 46 -2.064 1.096 1.569 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.761 -0.177 1.085 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.881 0.753 2.461 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.136 -0.773 -0.158 1.00 0.00 C ATOM 0 H ILE A 46 -4.342 0.643 3.279 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.535 2.880 2.686 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.692 1.637 0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.741 -0.919 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.809 0.046 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.186 0.116 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.374 1.670 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.235 0.227 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.681 -1.673 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.180 -0.048 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.096 -1.028 0.044 1.00 0.00 H new ATOM 714 N ARG A 47 -3.806 3.254 0.387 1.00 0.00 N ATOM 715 CA ARG A 47 -4.766 3.739 -0.597 1.00 0.00 C ATOM 716 C ARG A 47 -4.283 3.454 -2.015 1.00 0.00 C ATOM 717 O ARG A 47 -3.209 3.902 -2.418 1.00 0.00 O ATOM 718 CB ARG A 47 -4.997 5.241 -0.417 1.00 0.00 C ATOM 719 CG ARG A 47 -5.753 5.882 -1.570 1.00 0.00 C ATOM 720 CD ARG A 47 -5.899 7.383 -1.373 1.00 0.00 C ATOM 721 NE ARG A 47 -4.679 8.104 -1.731 1.00 0.00 N ATOM 722 CZ ARG A 47 -4.633 9.415 -1.931 1.00 0.00 C ATOM 723 NH1 ARG A 47 -5.731 10.147 -1.809 1.00 0.00 N ATOM 724 NH2 ARG A 47 -3.485 9.999 -2.254 1.00 0.00 N ATOM 0 H ARG A 47 -2.856 3.603 0.256 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.707 3.212 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.551 5.407 0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.033 5.738 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.228 5.686 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.740 5.427 -1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.728 7.749 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.150 7.589 -0.333 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.816 7.570 -1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.615 9.703 -1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.692 11.154 -1.963 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.637 9.440 -2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.451 11.007 -2.407 1.00 0.00 H new ATOM 738 N TYR A 48 -5.082 2.706 -2.767 1.00 0.00 N ATOM 739 CA TYR A 48 -4.736 2.358 -4.141 1.00 0.00 C ATOM 740 C TYR A 48 -5.909 2.616 -5.081 1.00 0.00 C ATOM 741 O TYR A 48 -7.020 2.134 -4.854 1.00 0.00 O ATOM 742 CB TYR A 48 -4.312 0.890 -4.225 1.00 0.00 C ATOM 743 CG TYR A 48 -4.362 0.326 -5.627 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.582 0.866 -6.643 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.188 -0.748 -5.936 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.625 0.354 -7.925 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.237 -1.267 -7.215 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.454 -0.713 -8.206 1.00 0.00 C ATOM 749 OH TYR A 48 -4.498 -1.227 -9.482 1.00 0.00 O ATOM 0 H TYR A 48 -5.974 2.328 -2.449 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.902 2.989 -4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.298 0.790 -3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.959 0.296 -3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.931 1.700 -6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.802 -1.184 -5.162 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.013 0.786 -8.703 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.885 -2.102 -7.438 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.130 -1.975 -9.512 1.00 0.00 H new ATOM 759 N LEU A 49 -5.654 3.378 -6.138 1.00 0.00 N ATOM 760 CA LEU A 49 -6.688 3.700 -7.116 1.00 0.00 C ATOM 761 C LEU A 49 -7.816 4.499 -6.472 1.00 0.00 C ATOM 762 O LEU A 49 -8.992 4.274 -6.758 1.00 0.00 O ATOM 763 CB LEU A 49 -7.245 2.420 -7.740 1.00 0.00 C ATOM 764 CG LEU A 49 -6.525 1.913 -8.989 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.077 0.560 -9.413 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.650 2.921 -10.123 1.00 0.00 C ATOM 0 H LEU A 49 -4.741 3.785 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.236 4.310 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.221 1.633 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.292 2.589 -7.992 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.468 1.792 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.552 0.216 -10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.935 -0.160 -8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.141 0.653 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.131 2.543 -11.004 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.703 3.074 -10.359 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.205 3.868 -9.818 1.00 0.00 H new ATOM 778 N GLY A 50 -7.450 5.434 -5.601 1.00 0.00 N ATOM 779 CA GLY A 50 -8.444 6.254 -4.932 1.00 0.00 C ATOM 780 C GLY A 50 -9.360 5.440 -4.040 1.00 0.00 C ATOM 781 O GLY A 50 -10.556 5.719 -3.946 1.00 0.00 O ATOM 0 H GLY A 50 -6.484 5.639 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.941 7.014 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.040 6.778 -5.679 1.00 0.00 H new ATOM 785 N LYS A 51 -8.800 4.431 -3.382 1.00 0.00 N ATOM 786 CA LYS A 51 -9.574 3.572 -2.492 1.00 0.00 C ATOM 787 C LYS A 51 -8.747 3.158 -1.281 1.00 0.00 C ATOM 788 O LYS A 51 -7.680 2.561 -1.421 1.00 0.00 O ATOM 789 CB LYS A 51 -10.058 2.329 -3.242 1.00 0.00 C ATOM 790 CG LYS A 51 -11.301 1.700 -2.639 1.00 0.00 C ATOM 791 CD LYS A 51 -12.147 1.010 -3.696 1.00 0.00 C ATOM 792 CE LYS A 51 -11.690 -0.422 -3.928 1.00 0.00 C ATOM 793 NZ LYS A 51 -12.688 -1.203 -4.710 1.00 0.00 N ATOM 0 H LYS A 51 -7.812 4.187 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.438 4.137 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.263 2.597 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.258 1.589 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.011 0.978 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.894 2.468 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.192 1.014 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.089 1.568 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.737 -0.418 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.520 -0.909 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.340 -2.173 -4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.590 -1.229 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.832 -0.753 -5.637 1.00 0.00 H new ATOM 807 N GLU A 52 -9.247 3.477 -0.090 1.00 0.00 N ATOM 808 CA GLU A 52 -8.553 3.137 1.146 1.00 0.00 C ATOM 809 C GLU A 52 -9.100 1.841 1.738 1.00 0.00 C ATOM 810 O GLU A 52 -10.291 1.732 2.024 1.00 0.00 O ATOM 811 CB GLU A 52 -8.688 4.273 2.163 1.00 0.00 C ATOM 812 CG GLU A 52 -7.948 5.538 1.763 1.00 0.00 C ATOM 813 CD GLU A 52 -8.539 6.784 2.396 1.00 0.00 C ATOM 814 OE1 GLU A 52 -8.953 6.712 3.572 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.585 7.830 1.715 1.00 0.00 O ATOM 0 H GLU A 52 -10.130 3.970 0.044 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.498 2.993 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.744 4.507 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.313 3.932 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.901 5.449 2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.971 5.640 0.678 1.00 0.00 H new ATOM 822 N GLY A 53 -8.219 0.861 1.918 1.00 0.00 N ATOM 823 CA GLY A 53 -8.632 -0.414 2.474 1.00 0.00 C ATOM 824 C GLY A 53 -7.529 -1.086 3.265 1.00 0.00 C ATOM 825 O GLY A 53 -6.403 -0.590 3.318 1.00 0.00 O ATOM 0 H GLY A 53 -7.227 0.928 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.497 -0.262 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.949 -1.074 1.666 1.00 0.00 H new ATOM 829 N TRP A 54 -7.852 -2.215 3.887 1.00 0.00 N ATOM 830 CA TRP A 54 -6.878 -2.955 4.681 1.00 0.00 C ATOM 831 C TRP A 54 -6.075 -3.912 3.807 1.00 0.00 C ATOM 832 O TRP A 54 -6.636 -4.632 2.981 1.00 0.00 O ATOM 833 CB TRP A 54 -7.584 -3.731 5.795 1.00 0.00 C ATOM 834 CG TRP A 54 -7.842 -2.909 7.021 1.00 0.00 C ATOM 835 CD1 TRP A 54 -9.057 -2.622 7.574 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.862 -2.268 7.845 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.892 -1.840 8.691 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.555 -1.609 8.880 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.468 -2.187 7.810 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.898 -0.881 9.867 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.817 -1.463 8.791 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.533 -0.818 9.809 1.00 0.00 C ATOM 0 H TRP A 54 -8.780 -2.637 3.857 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.189 -2.238 5.127 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.532 -4.113 5.417 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.977 -4.595 6.067 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -10.008 -2.960 7.190 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.644 -1.488 9.284 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.908 -2.682 7.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.447 -0.383 10.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.739 -1.393 8.773 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.996 -0.260 10.562 1.00 0.00 H new ATOM 853 N ALA A 55 -4.760 -3.915 3.994 1.00 0.00 N ATOM 854 CA ALA A 55 -3.880 -4.785 3.223 1.00 0.00 C ATOM 855 C ALA A 55 -2.688 -5.239 4.057 1.00 0.00 C ATOM 856 O ALA A 55 -2.157 -4.494 4.881 1.00 0.00 O ATOM 857 CB ALA A 55 -3.406 -4.075 1.964 1.00 0.00 C ATOM 0 H ALA A 55 -4.280 -3.325 4.673 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.447 -5.670 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.750 -4.737 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.267 -3.807 1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.861 -3.172 2.239 1.00 0.00 H new ATOM 863 N PRO A 56 -2.256 -6.491 3.842 1.00 0.00 N ATOM 864 CA PRO A 56 -1.122 -7.072 4.566 1.00 0.00 C ATOM 865 C PRO A 56 0.207 -6.440 4.165 1.00 0.00 C ATOM 866 O PRO A 56 0.561 -6.411 2.986 1.00 0.00 O ATOM 867 CB PRO A 56 -1.158 -8.547 4.156 1.00 0.00 C ATOM 868 CG PRO A 56 -1.841 -8.556 2.833 1.00 0.00 C ATOM 869 CD PRO A 56 -2.842 -7.434 2.875 1.00 0.00 C ATOM 0 HA PRO A 56 -1.200 -6.912 5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.153 -8.963 4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.701 -9.148 4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.126 -8.410 2.024 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.334 -9.512 2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.973 -6.975 1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.823 -7.783 3.197 1.00 0.00 H new ATOM 877 N ALA A 57 0.939 -5.935 5.153 1.00 0.00 N ATOM 878 CA ALA A 57 2.229 -5.307 4.903 1.00 0.00 C ATOM 879 C ALA A 57 3.183 -6.268 4.201 1.00 0.00 C ATOM 880 O ALA A 57 4.082 -5.847 3.474 1.00 0.00 O ATOM 881 CB ALA A 57 2.840 -4.816 6.207 1.00 0.00 C ATOM 0 H ALA A 57 0.660 -5.949 6.134 1.00 0.00 H new ATOM 0 HA ALA A 57 2.066 -4.453 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.804 -4.349 6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.174 -4.087 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.981 -5.659 6.883 1.00 0.00 H new ATOM 887 N SER A 58 2.979 -7.563 4.423 1.00 0.00 N ATOM 888 CA SER A 58 3.824 -8.585 3.815 1.00 0.00 C ATOM 889 C SER A 58 3.846 -8.438 2.296 1.00 0.00 C ATOM 890 O SER A 58 4.806 -8.838 1.637 1.00 0.00 O ATOM 891 CB SER A 58 3.325 -9.981 4.195 1.00 0.00 C ATOM 892 OG SER A 58 4.098 -10.987 3.565 1.00 0.00 O ATOM 0 H SER A 58 2.237 -7.929 5.019 1.00 0.00 H new ATOM 0 HA SER A 58 4.839 -8.454 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.372 -10.106 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.279 -10.088 3.907 1.00 0.00 H new ATOM 0 HG SER A 58 3.761 -11.870 3.825 1.00 0.00 H new ATOM 898 N TYR A 59 2.783 -7.860 1.749 1.00 0.00 N ATOM 899 CA TYR A 59 2.679 -7.661 0.307 1.00 0.00 C ATOM 900 C TYR A 59 3.046 -6.230 -0.073 1.00 0.00 C ATOM 901 O TYR A 59 2.636 -5.728 -1.120 1.00 0.00 O ATOM 902 CB TYR A 59 1.261 -7.980 -0.171 1.00 0.00 C ATOM 903 CG TYR A 59 0.910 -9.448 -0.087 1.00 0.00 C ATOM 904 CD1 TYR A 59 1.013 -10.139 1.114 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.476 -10.144 -1.208 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.694 -11.481 1.197 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.153 -11.486 -1.134 1.00 0.00 C ATOM 908 CZ TYR A 59 0.264 -12.149 0.069 1.00 0.00 C ATOM 909 OH TYR A 59 -0.055 -13.486 0.146 1.00 0.00 O ATOM 0 H TYR A 59 1.981 -7.521 2.281 1.00 0.00 H new ATOM 0 HA TYR A 59 3.381 -8.338 -0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.549 -7.410 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.151 -7.647 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.348 -9.618 1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.389 -9.628 -2.153 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.781 -12.003 2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.185 -12.012 -2.015 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.341 -13.805 -0.735 1.00 0.00 H new ATOM 919 N LEU A 60 3.823 -5.578 0.785 1.00 0.00 N ATOM 920 CA LEU A 60 4.247 -4.203 0.541 1.00 0.00 C ATOM 921 C LEU A 60 5.733 -4.031 0.841 1.00 0.00 C ATOM 922 O LEU A 60 6.262 -4.632 1.776 1.00 0.00 O ATOM 923 CB LEU A 60 3.427 -3.236 1.395 1.00 0.00 C ATOM 924 CG LEU A 60 1.908 -3.401 1.326 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.234 -2.596 2.426 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.388 -2.982 -0.041 1.00 0.00 C ATOM 0 H LEU A 60 4.172 -5.979 1.656 1.00 0.00 H new ATOM 0 HA LEU A 60 4.079 -3.978 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.738 -3.347 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.676 -2.218 1.095 1.00 0.00 H new ATOM 0 HG LEU A 60 1.668 -4.454 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.154 -2.725 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.584 -2.944 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.481 -1.541 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.306 -3.106 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.639 -1.937 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.847 -3.603 -0.811 1.00 0.00 H new ATOM 938 N LYS A 61 6.401 -3.204 0.044 1.00 0.00 N ATOM 939 CA LYS A 61 7.825 -2.949 0.225 1.00 0.00 C ATOM 940 C LYS A 61 8.135 -1.463 0.069 1.00 0.00 C ATOM 941 O LYS A 61 7.718 -0.829 -0.900 1.00 0.00 O ATOM 942 CB LYS A 61 8.642 -3.760 -0.783 1.00 0.00 C ATOM 943 CG LYS A 61 8.375 -3.378 -2.229 1.00 0.00 C ATOM 944 CD LYS A 61 9.340 -4.074 -3.176 1.00 0.00 C ATOM 945 CE LYS A 61 10.591 -3.241 -3.407 1.00 0.00 C ATOM 946 NZ LYS A 61 10.389 -2.222 -4.475 1.00 0.00 N ATOM 0 H LYS A 61 5.978 -2.698 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 61 8.098 -3.256 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.703 -3.626 -0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.421 -4.819 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.351 -3.641 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.466 -2.298 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.618 -5.044 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.845 -4.261 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.873 -2.744 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.418 -3.896 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.264 -1.675 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.145 -2.698 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.617 -1.581 -4.202 1.00 0.00 H new ATOM 960 N LYS A 62 8.872 -0.914 1.028 1.00 0.00 N ATOM 961 CA LYS A 62 9.241 0.496 0.998 1.00 0.00 C ATOM 962 C LYS A 62 10.107 0.805 -0.220 1.00 0.00 C ATOM 963 O LYS A 62 11.289 0.467 -0.254 1.00 0.00 O ATOM 964 CB LYS A 62 9.988 0.878 2.278 1.00 0.00 C ATOM 965 CG LYS A 62 10.436 2.329 2.312 1.00 0.00 C ATOM 966 CD LYS A 62 9.374 3.225 2.927 1.00 0.00 C ATOM 967 CE LYS A 62 9.930 4.602 3.256 1.00 0.00 C ATOM 968 NZ LYS A 62 10.106 5.435 2.034 1.00 0.00 N ATOM 0 H LYS A 62 9.226 -1.425 1.837 1.00 0.00 H new ATOM 0 HA LYS A 62 8.325 1.084 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.344 0.686 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.861 0.234 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.360 2.412 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.657 2.667 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.536 3.325 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.986 2.762 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.258 5.109 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.889 4.495 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.487 6.366 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.767 4.963 1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.187 5.559 1.563 1.00 0.00 H new ATOM 982 N ALA A 63 9.510 1.451 -1.216 1.00 0.00 N ATOM 983 CA ALA A 63 10.227 1.808 -2.434 1.00 0.00 C ATOM 984 C ALA A 63 11.600 2.388 -2.112 1.00 0.00 C ATOM 985 O ALA A 63 12.615 1.947 -2.651 1.00 0.00 O ATOM 986 CB ALA A 63 9.414 2.797 -3.255 1.00 0.00 C ATOM 0 H ALA A 63 8.531 1.738 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 63 10.373 0.900 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.962 3.054 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.458 2.347 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.238 3.699 -2.669 1.00 0.00 H new ATOM 992 N LYS A 64 11.625 3.382 -1.229 1.00 0.00 N ATOM 993 CA LYS A 64 12.873 4.023 -0.834 1.00 0.00 C ATOM 994 C LYS A 64 13.547 4.687 -2.030 1.00 0.00 C ATOM 995 O LYS A 64 14.728 4.461 -2.294 1.00 0.00 O ATOM 996 CB LYS A 64 13.820 2.999 -0.205 1.00 0.00 C ATOM 997 CG LYS A 64 14.984 3.625 0.544 1.00 0.00 C ATOM 998 CD LYS A 64 14.590 4.023 1.956 1.00 0.00 C ATOM 999 CE LYS A 64 14.595 2.824 2.894 1.00 0.00 C ATOM 1000 NZ LYS A 64 15.977 2.425 3.277 1.00 0.00 N ATOM 0 H LYS A 64 10.794 3.760 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 64 12.639 4.792 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.255 2.368 0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.210 2.349 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.814 2.920 0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.336 4.503 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.280 4.780 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.598 4.474 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.024 3.063 3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.095 1.984 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.935 1.709 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.466 2.029 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.496 3.258 3.620 1.00 0.00 H new ATOM 1014 N ASP A 65 12.789 5.506 -2.751 1.00 0.00 N ATOM 1015 CA ASP A 65 13.315 6.205 -3.918 1.00 0.00 C ATOM 1016 C ASP A 65 13.846 7.582 -3.534 1.00 0.00 C ATOM 1017 O ASP A 65 14.997 7.915 -3.815 1.00 0.00 O ATOM 1018 CB ASP A 65 12.230 6.343 -4.987 1.00 0.00 C ATOM 1019 CG ASP A 65 12.654 7.245 -6.129 1.00 0.00 C ATOM 1020 OD1 ASP A 65 13.829 7.167 -6.541 1.00 0.00 O ATOM 1021 OD2 ASP A 65 11.809 8.029 -6.611 1.00 0.00 O ATOM 0 H ASP A 65 11.809 5.702 -2.548 1.00 0.00 H new ATOM 0 HA ASP A 65 14.140 5.618 -4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.983 5.357 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.323 6.741 -4.531 1.00 0.00 H new ATOM 1026 N SER A 66 12.998 8.379 -2.891 1.00 0.00 N ATOM 1027 CA SER A 66 13.380 9.723 -2.472 1.00 0.00 C ATOM 1028 C SER A 66 13.931 9.712 -1.049 1.00 0.00 C ATOM 1029 O SER A 66 13.220 9.394 -0.099 1.00 0.00 O ATOM 1030 CB SER A 66 12.181 10.668 -2.560 1.00 0.00 C ATOM 1031 OG SER A 66 12.593 12.023 -2.503 1.00 0.00 O ATOM 0 H SER A 66 12.042 8.117 -2.649 1.00 0.00 H new ATOM 0 HA SER A 66 14.162 10.078 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.640 10.488 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.490 10.460 -1.743 1.00 0.00 H new ATOM 0 HG SER A 66 11.808 12.606 -2.563 1.00 0.00 H new ATOM 1037 N GLY A 67 15.207 10.063 -0.913 1.00 0.00 N ATOM 1038 CA GLY A 67 15.833 10.088 0.396 1.00 0.00 C ATOM 1039 C GLY A 67 17.080 9.228 0.458 1.00 0.00 C ATOM 1040 O GLY A 67 17.081 8.138 1.030 1.00 0.00 O ATOM 0 H GLY A 67 15.817 10.330 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.091 11.116 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.119 9.742 1.144 1.00 0.00 H new ATOM 1044 N PRO A 68 18.173 9.720 -0.144 1.00 0.00 N ATOM 1045 CA PRO A 68 19.453 9.005 -0.168 1.00 0.00 C ATOM 1046 C PRO A 68 20.114 8.950 1.205 1.00 0.00 C ATOM 1047 O PRO A 68 20.877 8.031 1.500 1.00 0.00 O ATOM 1048 CB PRO A 68 20.302 9.831 -1.138 1.00 0.00 C ATOM 1049 CG PRO A 68 19.719 11.201 -1.081 1.00 0.00 C ATOM 1050 CD PRO A 68 18.245 11.013 -0.844 1.00 0.00 C ATOM 0 HA PRO A 68 19.332 7.963 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 68 21.351 9.835 -0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 68 20.258 9.424 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.172 11.785 -0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 68 19.899 11.741 -2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.829 11.820 -0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 68 17.687 10.995 -1.780 1.00 0.00 H new ATOM 1058 N SER A 69 19.814 9.939 2.040 1.00 0.00 N ATOM 1059 CA SER A 69 20.381 10.005 3.382 1.00 0.00 C ATOM 1060 C SER A 69 19.583 9.140 4.353 1.00 0.00 C ATOM 1061 O SER A 69 18.365 9.281 4.468 1.00 0.00 O ATOM 1062 CB SER A 69 20.411 11.452 3.876 1.00 0.00 C ATOM 1063 OG SER A 69 21.097 12.290 2.961 1.00 0.00 O ATOM 0 H SER A 69 19.182 10.706 1.811 1.00 0.00 H new ATOM 0 HA SER A 69 21.401 9.623 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.392 11.814 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.898 11.497 4.850 1.00 0.00 H new ATOM 0 HG SER A 69 21.101 13.210 3.299 1.00 0.00 H new ATOM 1069 N SER A 70 20.278 8.246 5.049 1.00 0.00 N ATOM 1070 CA SER A 70 19.634 7.355 6.007 1.00 0.00 C ATOM 1071 C SER A 70 20.280 7.481 7.383 1.00 0.00 C ATOM 1072 O SER A 70 21.251 6.792 7.692 1.00 0.00 O ATOM 1073 CB SER A 70 19.716 5.906 5.523 1.00 0.00 C ATOM 1074 OG SER A 70 18.694 5.625 4.582 1.00 0.00 O ATOM 0 H SER A 70 21.287 8.119 4.967 1.00 0.00 H new ATOM 0 HA SER A 70 18.586 7.644 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.691 5.725 5.071 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.628 5.230 6.373 1.00 0.00 H new ATOM 0 HG SER A 70 18.769 4.694 4.286 1.00 0.00 H new ATOM 1080 N GLY A 71 19.732 8.369 8.209 1.00 0.00 N ATOM 1081 CA GLY A 71 20.267 8.569 9.543 1.00 0.00 C ATOM 1082 C GLY A 71 19.397 7.945 10.616 1.00 0.00 C ATOM 1083 O GLY A 71 18.481 7.180 10.315 1.00 0.00 O ATOM 0 H GLY A 71 18.928 8.952 7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 71 21.268 8.142 9.597 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.366 9.637 9.735 1.00 0.00 H new TER 1087 GLY A 71