USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 509 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 35:sc= 0.502 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.79) USER MOD Single : A 45 SER OG : rot 180:sc= -0.506 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.026 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -110:sc= -1.42! (180deg=-2.54!) USER MOD Single : A 58 MET CE :methyl 143:sc= 0 (180deg=-0.0834) USER MOD Single : A 59 GLN : amide:sc= -0.0185 X(o=-0.018,f=-0.32) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.408 -12.910 20.855 1.00 0.00 N ATOM 2 CA GLY A 1 -7.350 -14.009 20.754 1.00 0.00 C ATOM 3 C GLY A 1 -6.997 -14.977 19.643 1.00 0.00 C ATOM 4 O GLY A 1 -5.850 -15.413 19.532 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.694 -12.277 21.629 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.457 -13.284 21.048 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.396 -12.379 19.961 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.380 -14.545 21.702 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.350 -13.611 20.581 1.00 0.00 H new ATOM 8 N SER A 2 -7.983 -15.316 18.819 1.00 0.00 N ATOM 9 CA SER A 2 -7.772 -16.244 17.715 1.00 0.00 C ATOM 10 C SER A 2 -8.416 -15.720 16.435 1.00 0.00 C ATOM 11 O SER A 2 -7.744 -15.535 15.420 1.00 0.00 O ATOM 12 CB SER A 2 -8.344 -17.621 18.059 1.00 0.00 C ATOM 13 OG SER A 2 -7.323 -18.602 18.095 1.00 0.00 O ATOM 0 H SER A 2 -8.936 -14.962 18.895 1.00 0.00 H new ATOM 0 HA SER A 2 -6.698 -16.336 17.551 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.846 -17.579 19.025 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.096 -17.901 17.321 1.00 0.00 H new ATOM 0 HG SER A 2 -7.714 -19.473 18.319 1.00 0.00 H new ATOM 19 N SER A 3 -9.722 -15.482 16.491 1.00 0.00 N ATOM 20 CA SER A 3 -10.458 -14.984 15.335 1.00 0.00 C ATOM 21 C SER A 3 -10.802 -13.507 15.507 1.00 0.00 C ATOM 22 O SER A 3 -11.506 -13.126 16.442 1.00 0.00 O ATOM 23 CB SER A 3 -11.738 -15.796 15.130 1.00 0.00 C ATOM 24 OG SER A 3 -12.628 -15.631 16.222 1.00 0.00 O ATOM 0 H SER A 3 -10.292 -15.626 17.324 1.00 0.00 H new ATOM 0 HA SER A 3 -9.823 -15.093 14.456 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.227 -15.483 14.208 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.489 -16.851 15.016 1.00 0.00 H new ATOM 0 HG SER A 3 -12.563 -14.714 16.562 1.00 0.00 H new ATOM 30 N GLY A 4 -10.299 -12.679 14.597 1.00 0.00 N ATOM 31 CA GLY A 4 -10.562 -11.254 14.664 1.00 0.00 C ATOM 32 C GLY A 4 -10.377 -10.566 13.326 1.00 0.00 C ATOM 33 O GLY A 4 -11.328 -10.027 12.760 1.00 0.00 O ATOM 0 H GLY A 4 -9.714 -12.970 13.814 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.581 -11.092 15.014 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.897 -10.799 15.398 1.00 0.00 H new ATOM 37 N SER A 5 -9.148 -10.582 12.819 1.00 0.00 N ATOM 38 CA SER A 5 -8.840 -9.950 11.541 1.00 0.00 C ATOM 39 C SER A 5 -9.466 -10.726 10.386 1.00 0.00 C ATOM 40 O SER A 5 -8.849 -11.633 9.826 1.00 0.00 O ATOM 41 CB SER A 5 -7.326 -9.857 11.346 1.00 0.00 C ATOM 42 OG SER A 5 -7.007 -9.276 10.094 1.00 0.00 O ATOM 0 H SER A 5 -8.350 -11.025 13.273 1.00 0.00 H new ATOM 0 HA SER A 5 -9.261 -8.944 11.550 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.889 -9.262 12.148 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.886 -10.852 11.411 1.00 0.00 H new ATOM 0 HG SER A 5 -6.033 -9.227 9.995 1.00 0.00 H new ATOM 48 N SER A 6 -10.696 -10.364 10.035 1.00 0.00 N ATOM 49 CA SER A 6 -11.408 -11.028 8.951 1.00 0.00 C ATOM 50 C SER A 6 -12.395 -10.074 8.284 1.00 0.00 C ATOM 51 O SER A 6 -12.997 -9.226 8.943 1.00 0.00 O ATOM 52 CB SER A 6 -12.148 -12.259 9.476 1.00 0.00 C ATOM 53 OG SER A 6 -11.750 -13.429 8.782 1.00 0.00 O ATOM 0 H SER A 6 -11.220 -9.614 10.486 1.00 0.00 H new ATOM 0 HA SER A 6 -10.675 -11.343 8.208 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.950 -12.379 10.541 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.223 -12.115 9.366 1.00 0.00 H new ATOM 0 HG SER A 6 -12.236 -14.202 9.138 1.00 0.00 H new ATOM 59 N GLY A 7 -12.555 -10.219 6.972 1.00 0.00 N ATOM 60 CA GLY A 7 -13.468 -9.364 6.237 1.00 0.00 C ATOM 61 C GLY A 7 -12.856 -8.021 5.892 1.00 0.00 C ATOM 62 O GLY A 7 -11.950 -7.938 5.062 1.00 0.00 O ATOM 0 H GLY A 7 -12.068 -10.914 6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.772 -9.867 5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.370 -9.207 6.829 1.00 0.00 H new ATOM 66 N VAL A 8 -13.351 -6.965 6.530 1.00 0.00 N ATOM 67 CA VAL A 8 -12.847 -5.619 6.285 1.00 0.00 C ATOM 68 C VAL A 8 -12.093 -5.086 7.498 1.00 0.00 C ATOM 69 O VAL A 8 -12.209 -3.913 7.849 1.00 0.00 O ATOM 70 CB VAL A 8 -13.990 -4.646 5.936 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.509 -4.914 4.533 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.112 -4.754 6.958 1.00 0.00 C ATOM 0 H VAL A 8 -14.100 -7.016 7.220 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.165 -5.685 5.437 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.600 -3.629 5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.316 -4.217 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.700 -4.781 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.884 -5.936 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.911 -4.060 6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.503 -5.772 6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.728 -4.508 7.948 1.00 0.00 H new ATOM 82 N GLY A 9 -11.318 -5.957 8.136 1.00 0.00 N ATOM 83 CA GLY A 9 -10.555 -5.556 9.304 1.00 0.00 C ATOM 84 C GLY A 9 -9.157 -5.091 8.950 1.00 0.00 C ATOM 85 O GLY A 9 -8.615 -4.187 9.588 1.00 0.00 O ATOM 0 H GLY A 9 -11.205 -6.934 7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.082 -4.754 9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.491 -6.394 9.998 1.00 0.00 H new ATOM 89 N THR A 10 -8.567 -5.711 7.933 1.00 0.00 N ATOM 90 CA THR A 10 -7.222 -5.358 7.497 1.00 0.00 C ATOM 91 C THR A 10 -7.214 -4.019 6.769 1.00 0.00 C ATOM 92 O THR A 10 -6.346 -3.178 7.005 1.00 0.00 O ATOM 93 CB THR A 10 -6.629 -6.437 6.573 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.460 -7.662 7.294 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.292 -5.988 6.005 1.00 0.00 C ATOM 0 H THR A 10 -9.001 -6.461 7.395 1.00 0.00 H new ATOM 0 HA THR A 10 -6.608 -5.283 8.395 1.00 0.00 H new ATOM 0 HB THR A 10 -7.322 -6.596 5.747 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.084 -8.343 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.893 -6.767 5.355 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.430 -5.072 5.431 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.594 -5.803 6.821 1.00 0.00 H new ATOM 103 N ILE A 11 -8.186 -3.828 5.882 1.00 0.00 N ATOM 104 CA ILE A 11 -8.291 -2.590 5.120 1.00 0.00 C ATOM 105 C ILE A 11 -8.424 -1.384 6.044 1.00 0.00 C ATOM 106 O ILE A 11 -7.648 -0.432 5.955 1.00 0.00 O ATOM 107 CB ILE A 11 -9.494 -2.621 4.159 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.389 -3.820 3.214 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.575 -1.323 3.370 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.677 -4.604 3.090 1.00 0.00 C ATOM 0 H ILE A 11 -8.911 -4.515 5.674 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.374 -2.499 4.539 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.407 -2.724 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.090 -3.469 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.601 -4.484 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.430 -1.360 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.692 -0.486 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.661 -1.192 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.530 -5.439 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.967 -4.985 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.463 -3.954 2.706 1.00 0.00 H new ATOM 122 N ASP A 12 -9.409 -1.433 6.933 1.00 0.00 N ATOM 123 CA ASP A 12 -9.643 -0.347 7.877 1.00 0.00 C ATOM 124 C ASP A 12 -8.324 0.199 8.414 1.00 0.00 C ATOM 125 O ASP A 12 -8.206 1.389 8.705 1.00 0.00 O ATOM 126 CB ASP A 12 -10.519 -0.828 9.035 1.00 0.00 C ATOM 127 CG ASP A 12 -10.937 0.305 9.953 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.053 1.067 10.396 1.00 0.00 O ATOM 129 OD2 ASP A 12 -12.149 0.428 10.228 1.00 0.00 O ATOM 0 H ASP A 12 -10.059 -2.214 7.020 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.160 0.454 7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.408 -1.316 8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.976 -1.577 9.611 1.00 0.00 H new ATOM 134 N GLN A 13 -7.334 -0.678 8.542 1.00 0.00 N ATOM 135 CA GLN A 13 -6.024 -0.284 9.045 1.00 0.00 C ATOM 136 C GLN A 13 -5.116 0.168 7.906 1.00 0.00 C ATOM 137 O GLN A 13 -4.481 1.221 7.985 1.00 0.00 O ATOM 138 CB GLN A 13 -5.374 -1.445 9.800 1.00 0.00 C ATOM 139 CG GLN A 13 -6.055 -1.772 11.118 1.00 0.00 C ATOM 140 CD GLN A 13 -5.190 -2.621 12.029 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.566 -2.114 12.961 1.00 0.00 O ATOM 142 NE2 GLN A 13 -5.150 -3.921 11.764 1.00 0.00 N ATOM 0 H GLN A 13 -7.414 -1.667 8.304 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.163 0.553 9.729 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.385 -2.331 9.166 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.329 -1.203 9.991 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.312 -0.844 11.629 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.990 -2.296 10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.683 -4.298 10.981 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.586 -4.542 12.344 1.00 0.00 H new ATOM 151 N LEU A 14 -5.060 -0.632 6.848 1.00 0.00 N ATOM 152 CA LEU A 14 -4.230 -0.314 5.691 1.00 0.00 C ATOM 153 C LEU A 14 -4.487 1.112 5.211 1.00 0.00 C ATOM 154 O LEU A 14 -3.581 1.945 5.197 1.00 0.00 O ATOM 155 CB LEU A 14 -4.502 -1.302 4.556 1.00 0.00 C ATOM 156 CG LEU A 14 -3.866 -0.966 3.206 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.362 -0.799 3.351 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.189 -2.044 2.181 1.00 0.00 C ATOM 0 H LEU A 14 -5.579 -1.506 6.767 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.185 -0.394 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.150 -2.286 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.581 -1.378 4.418 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.283 -0.022 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.927 -0.560 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.152 0.009 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.927 -1.726 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.728 -1.788 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.801 -3.002 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.269 -2.114 2.055 1.00 0.00 H new ATOM 170 N VAL A 15 -5.728 1.384 4.821 1.00 0.00 N ATOM 171 CA VAL A 15 -6.106 2.710 4.345 1.00 0.00 C ATOM 172 C VAL A 15 -5.627 3.795 5.302 1.00 0.00 C ATOM 173 O VAL A 15 -5.107 4.828 4.877 1.00 0.00 O ATOM 174 CB VAL A 15 -7.631 2.830 4.172 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.045 4.291 4.082 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.091 2.061 2.943 1.00 0.00 C ATOM 0 H VAL A 15 -6.489 0.704 4.825 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.626 2.847 3.376 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.113 2.393 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.126 4.356 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.751 4.809 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.555 4.756 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.172 2.157 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.602 2.465 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.830 1.009 3.053 1.00 0.00 H new ATOM 186 N LYS A 16 -5.804 3.555 6.597 1.00 0.00 N ATOM 187 CA LYS A 16 -5.388 4.510 7.617 1.00 0.00 C ATOM 188 C LYS A 16 -3.911 4.860 7.464 1.00 0.00 C ATOM 189 O LYS A 16 -3.479 5.950 7.842 1.00 0.00 O ATOM 190 CB LYS A 16 -5.647 3.942 9.013 1.00 0.00 C ATOM 191 CG LYS A 16 -4.378 3.599 9.775 1.00 0.00 C ATOM 192 CD LYS A 16 -4.682 2.800 11.032 1.00 0.00 C ATOM 193 CE LYS A 16 -3.465 2.705 11.939 1.00 0.00 C ATOM 194 NZ LYS A 16 -3.031 1.295 12.141 1.00 0.00 N ATOM 0 H LYS A 16 -6.233 2.706 6.965 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.974 5.420 7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.223 4.666 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.261 3.046 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.709 3.027 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.854 4.516 10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.504 3.269 11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.011 1.798 10.757 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.645 3.279 11.507 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.696 3.156 12.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.199 1.274 12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.804 0.753 12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.786 0.872 11.223 1.00 0.00 H new ATOM 208 N ARG A 17 -3.142 3.930 6.909 1.00 0.00 N ATOM 209 CA ARG A 17 -1.713 4.141 6.707 1.00 0.00 C ATOM 210 C ARG A 17 -1.463 5.073 5.525 1.00 0.00 C ATOM 211 O ARG A 17 -1.042 6.216 5.701 1.00 0.00 O ATOM 212 CB ARG A 17 -1.006 2.804 6.474 1.00 0.00 C ATOM 213 CG ARG A 17 -1.446 1.708 7.431 1.00 0.00 C ATOM 214 CD ARG A 17 -0.495 0.521 7.392 1.00 0.00 C ATOM 215 NE ARG A 17 -0.555 -0.268 8.620 1.00 0.00 N ATOM 216 CZ ARG A 17 -0.080 -1.504 8.723 1.00 0.00 C ATOM 217 NH1 ARG A 17 0.487 -2.089 7.677 1.00 0.00 N ATOM 218 NH2 ARG A 17 -0.171 -2.157 9.875 1.00 0.00 N ATOM 0 H ARG A 17 -3.484 3.023 6.591 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.309 4.606 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.192 2.478 5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.070 2.950 6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.493 2.105 8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.452 1.379 7.171 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.742 -0.114 6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.524 0.877 7.239 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.985 0.153 9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.559 -1.590 6.790 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.851 -3.038 7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.606 -1.710 10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.194 -3.106 9.953 1.00 0.00 H new ATOM 232 N VAL A 18 -1.725 4.577 4.321 1.00 0.00 N ATOM 233 CA VAL A 18 -1.529 5.365 3.109 1.00 0.00 C ATOM 234 C VAL A 18 -1.964 6.811 3.318 1.00 0.00 C ATOM 235 O VAL A 18 -1.484 7.718 2.639 1.00 0.00 O ATOM 236 CB VAL A 18 -2.309 4.772 1.921 1.00 0.00 C ATOM 237 CG1 VAL A 18 -2.247 3.252 1.946 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.752 5.255 1.937 1.00 0.00 C ATOM 0 H VAL A 18 -2.074 3.633 4.158 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.463 5.338 2.883 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.845 5.115 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.804 2.851 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.208 2.929 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.685 2.885 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.289 4.826 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.230 4.943 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.772 6.343 1.866 1.00 0.00 H new ATOM 248 N ILE A 19 -2.876 7.018 4.263 1.00 0.00 N ATOM 249 CA ILE A 19 -3.376 8.354 4.562 1.00 0.00 C ATOM 250 C ILE A 19 -2.338 9.170 5.325 1.00 0.00 C ATOM 251 O ILE A 19 -1.958 10.261 4.901 1.00 0.00 O ATOM 252 CB ILE A 19 -4.675 8.298 5.387 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.776 7.587 4.596 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.117 9.700 5.775 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.564 8.511 3.694 1.00 0.00 C ATOM 0 H ILE A 19 -3.283 6.277 4.834 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.583 8.835 3.606 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.485 7.733 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.327 6.799 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.460 7.104 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.036 9.643 6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.338 10.175 6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.294 10.288 4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.327 7.940 3.165 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.042 9.285 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.892 8.975 2.972 1.00 0.00 H new ATOM 267 N GLU A 20 -1.882 8.632 6.452 1.00 0.00 N ATOM 268 CA GLU A 20 -0.887 9.311 7.275 1.00 0.00 C ATOM 269 C GLU A 20 0.502 9.193 6.654 1.00 0.00 C ATOM 270 O GLU A 20 1.422 9.925 7.020 1.00 0.00 O ATOM 271 CB GLU A 20 -0.877 8.727 8.689 1.00 0.00 C ATOM 272 CG GLU A 20 -2.261 8.382 9.214 1.00 0.00 C ATOM 273 CD GLU A 20 -2.680 9.260 10.376 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.529 10.495 10.270 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.160 8.714 11.391 1.00 0.00 O ATOM 0 H GLU A 20 -2.185 7.729 6.816 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.155 10.366 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.260 7.829 8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.409 9.442 9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.987 8.483 8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.276 7.338 9.528 1.00 0.00 H new ATOM 282 N GLY A 21 0.647 8.266 5.712 1.00 0.00 N ATOM 283 CA GLY A 21 1.927 8.068 5.057 1.00 0.00 C ATOM 284 C GLY A 21 2.880 7.230 5.887 1.00 0.00 C ATOM 285 O GLY A 21 3.986 6.918 5.446 1.00 0.00 O ATOM 0 H GLY A 21 -0.099 7.649 5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.768 7.584 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.382 9.038 4.855 1.00 0.00 H new ATOM 289 N SER A 22 2.450 6.866 7.090 1.00 0.00 N ATOM 290 CA SER A 22 3.275 6.064 7.986 1.00 0.00 C ATOM 291 C SER A 22 4.042 4.998 7.208 1.00 0.00 C ATOM 292 O SER A 22 5.105 4.545 7.636 1.00 0.00 O ATOM 293 CB SER A 22 2.408 5.404 9.059 1.00 0.00 C ATOM 294 OG SER A 22 3.176 4.531 9.870 1.00 0.00 O ATOM 0 H SER A 22 1.535 7.113 7.467 1.00 0.00 H new ATOM 0 HA SER A 22 3.994 6.726 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.947 6.171 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.599 4.848 8.586 1.00 0.00 H new ATOM 0 HG SER A 22 2.599 4.123 10.549 1.00 0.00 H new ATOM 300 N LEU A 23 3.495 4.601 6.066 1.00 0.00 N ATOM 301 CA LEU A 23 4.126 3.586 5.227 1.00 0.00 C ATOM 302 C LEU A 23 4.820 4.226 4.029 1.00 0.00 C ATOM 303 O LEU A 23 4.304 5.171 3.431 1.00 0.00 O ATOM 304 CB LEU A 23 3.085 2.573 4.747 1.00 0.00 C ATOM 305 CG LEU A 23 2.378 2.909 3.434 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.838 1.646 2.780 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.257 3.909 3.672 1.00 0.00 C ATOM 0 H LEU A 23 2.616 4.965 5.698 1.00 0.00 H new ATOM 0 HA LEU A 23 4.876 3.070 5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.573 1.605 4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.330 2.462 5.525 1.00 0.00 H new ATOM 0 HG LEU A 23 3.104 3.362 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.338 1.905 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.662 0.963 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.127 1.164 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.765 4.136 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.531 3.484 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.670 4.825 4.095 1.00 0.00 H new ATOM 319 N SER A 24 5.991 3.704 3.682 1.00 0.00 N ATOM 320 CA SER A 24 6.757 4.225 2.555 1.00 0.00 C ATOM 321 C SER A 24 5.907 4.257 1.288 1.00 0.00 C ATOM 322 O SER A 24 4.910 3.544 1.161 1.00 0.00 O ATOM 323 CB SER A 24 8.007 3.372 2.323 1.00 0.00 C ATOM 324 OG SER A 24 9.093 3.837 3.105 1.00 0.00 O ATOM 0 H SER A 24 6.431 2.920 4.165 1.00 0.00 H new ATOM 0 HA SER A 24 7.060 5.244 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.794 2.333 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.278 3.397 1.267 1.00 0.00 H new ATOM 0 HG SER A 24 9.879 3.275 2.941 1.00 0.00 H new ATOM 330 N PRO A 25 6.309 5.103 0.329 1.00 0.00 N ATOM 331 CA PRO A 25 5.599 5.249 -0.946 1.00 0.00 C ATOM 332 C PRO A 25 5.744 4.018 -1.834 1.00 0.00 C ATOM 333 O PRO A 25 4.914 3.769 -2.709 1.00 0.00 O ATOM 334 CB PRO A 25 6.278 6.458 -1.593 1.00 0.00 C ATOM 335 CG PRO A 25 7.641 6.495 -0.992 1.00 0.00 C ATOM 336 CD PRO A 25 7.487 5.981 0.413 1.00 0.00 C ATOM 0 HA PRO A 25 4.525 5.372 -0.803 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.326 6.352 -2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.730 7.377 -1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.335 5.876 -1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.042 7.509 -0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.372 5.435 0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.333 6.793 1.123 1.00 0.00 H new ATOM 344 N LYS A 26 6.804 3.249 -1.605 1.00 0.00 N ATOM 345 CA LYS A 26 7.056 2.042 -2.382 1.00 0.00 C ATOM 346 C LYS A 26 6.269 0.861 -1.825 1.00 0.00 C ATOM 347 O LYS A 26 5.829 -0.011 -2.574 1.00 0.00 O ATOM 348 CB LYS A 26 8.553 1.717 -2.385 1.00 0.00 C ATOM 349 CG LYS A 26 8.948 0.683 -3.424 1.00 0.00 C ATOM 350 CD LYS A 26 9.288 1.332 -4.755 1.00 0.00 C ATOM 351 CE LYS A 26 10.359 0.550 -5.499 1.00 0.00 C ATOM 352 NZ LYS A 26 11.529 1.404 -5.847 1.00 0.00 N ATOM 0 H LYS A 26 7.502 3.441 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 26 6.727 2.223 -3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.115 2.634 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.840 1.356 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.806 0.115 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.132 -0.026 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.390 1.396 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.632 2.352 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.690 -0.287 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.934 0.128 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.237 0.834 -6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.218 2.189 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.951 1.786 -4.977 1.00 0.00 H new ATOM 366 N GLU A 27 6.094 0.840 -0.507 1.00 0.00 N ATOM 367 CA GLU A 27 5.358 -0.235 0.147 1.00 0.00 C ATOM 368 C GLU A 27 3.956 -0.371 -0.439 1.00 0.00 C ATOM 369 O GLU A 27 3.478 -1.480 -0.680 1.00 0.00 O ATOM 370 CB GLU A 27 5.269 0.022 1.653 1.00 0.00 C ATOM 371 CG GLU A 27 6.148 -0.900 2.481 1.00 0.00 C ATOM 372 CD GLU A 27 5.429 -2.165 2.907 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.981 -2.919 2.018 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.313 -2.400 4.128 1.00 0.00 O ATOM 0 H GLU A 27 6.451 1.554 0.127 1.00 0.00 H new ATOM 0 HA GLU A 27 5.897 -1.167 -0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.551 1.056 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.233 -0.094 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.033 -1.167 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.494 -0.367 3.367 1.00 0.00 H new ATOM 381 N ARG A 28 3.304 0.764 -0.668 1.00 0.00 N ATOM 382 CA ARG A 28 1.956 0.772 -1.226 1.00 0.00 C ATOM 383 C ARG A 28 1.900 -0.030 -2.523 1.00 0.00 C ATOM 384 O ARG A 28 1.060 -0.916 -2.682 1.00 0.00 O ATOM 385 CB ARG A 28 1.495 2.208 -1.480 1.00 0.00 C ATOM 386 CG ARG A 28 1.272 3.011 -0.209 1.00 0.00 C ATOM 387 CD ARG A 28 0.706 4.390 -0.513 1.00 0.00 C ATOM 388 NE ARG A 28 -0.264 4.355 -1.604 1.00 0.00 N ATOM 389 CZ ARG A 28 0.073 4.419 -2.888 1.00 0.00 C ATOM 390 NH1 ARG A 28 1.347 4.518 -3.240 1.00 0.00 N ATOM 391 NH2 ARG A 28 -0.868 4.382 -3.824 1.00 0.00 N ATOM 0 H ARG A 28 3.687 1.690 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 28 1.287 0.306 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.238 2.716 -2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.568 2.187 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.588 2.473 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.215 3.114 0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.231 4.792 0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.520 5.067 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.253 4.277 -1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.073 4.545 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.601 4.567 -4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.850 4.304 -3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.609 4.431 -4.809 1.00 0.00 H new ATOM 405 N THR A 29 2.800 0.287 -3.448 1.00 0.00 N ATOM 406 CA THR A 29 2.853 -0.401 -4.731 1.00 0.00 C ATOM 407 C THR A 29 3.165 -1.883 -4.549 1.00 0.00 C ATOM 408 O THR A 29 2.824 -2.708 -5.396 1.00 0.00 O ATOM 409 CB THR A 29 3.909 0.223 -5.661 1.00 0.00 C ATOM 410 OG1 THR A 29 3.415 1.450 -6.212 1.00 0.00 O ATOM 411 CG2 THR A 29 4.272 -0.733 -6.788 1.00 0.00 C ATOM 0 H THR A 29 3.503 1.017 -3.332 1.00 0.00 H new ATOM 0 HA THR A 29 1.869 -0.293 -5.187 1.00 0.00 H new ATOM 0 HB THR A 29 4.804 0.423 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.094 1.841 -6.801 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.020 -0.270 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.676 -1.654 -6.368 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.381 -0.961 -7.373 1.00 0.00 H new ATOM 419 N LEU A 30 3.814 -2.212 -3.438 1.00 0.00 N ATOM 420 CA LEU A 30 4.172 -3.596 -3.143 1.00 0.00 C ATOM 421 C LEU A 30 2.980 -4.356 -2.570 1.00 0.00 C ATOM 422 O LEU A 30 2.886 -5.577 -2.703 1.00 0.00 O ATOM 423 CB LEU A 30 5.342 -3.642 -2.159 1.00 0.00 C ATOM 424 CG LEU A 30 6.662 -3.050 -2.657 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.658 -2.932 -1.515 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.235 -3.900 -3.782 1.00 0.00 C ATOM 0 H LEU A 30 4.103 -1.541 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 30 4.471 -4.075 -4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.049 -3.113 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.515 -4.681 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 30 6.467 -2.051 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.591 -2.509 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.249 -2.282 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.850 -3.920 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.174 -3.465 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.415 -4.912 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.527 -3.933 -4.610 1.00 0.00 H new ATOM 438 N LEU A 31 2.071 -3.627 -1.932 1.00 0.00 N ATOM 439 CA LEU A 31 0.883 -4.232 -1.341 1.00 0.00 C ATOM 440 C LEU A 31 0.183 -5.147 -2.339 1.00 0.00 C ATOM 441 O LEU A 31 -0.348 -6.196 -1.971 1.00 0.00 O ATOM 442 CB LEU A 31 -0.083 -3.145 -0.864 1.00 0.00 C ATOM 443 CG LEU A 31 0.427 -2.238 0.256 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.518 -1.065 0.465 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.594 -3.027 1.548 1.00 0.00 C ATOM 0 H LEU A 31 2.134 -2.616 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 31 1.198 -4.831 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.346 -2.521 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.001 -3.626 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 31 1.401 -1.846 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.139 -0.430 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.587 -0.485 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.506 -1.438 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.958 -2.365 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.367 -3.448 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.311 -3.833 1.392 1.00 0.00 H new ATOM 457 N LYS A 32 0.187 -4.746 -3.605 1.00 0.00 N ATOM 458 CA LYS A 32 -0.445 -5.532 -4.660 1.00 0.00 C ATOM 459 C LYS A 32 0.245 -6.883 -4.818 1.00 0.00 C ATOM 460 O LYS A 32 -0.402 -7.890 -5.104 1.00 0.00 O ATOM 461 CB LYS A 32 -0.406 -4.769 -5.986 1.00 0.00 C ATOM 462 CG LYS A 32 -0.816 -3.312 -5.861 1.00 0.00 C ATOM 463 CD LYS A 32 -1.845 -2.930 -6.913 1.00 0.00 C ATOM 464 CE LYS A 32 -2.327 -1.501 -6.728 1.00 0.00 C ATOM 465 NZ LYS A 32 -1.889 -0.619 -7.846 1.00 0.00 N ATOM 0 H LYS A 32 0.621 -3.881 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.484 -5.705 -4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.603 -4.820 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.065 -5.263 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.226 -3.132 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.063 -2.676 -5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.410 -3.043 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.694 -3.611 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.415 -1.490 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.946 -1.108 -5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.238 0.347 -7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.850 -0.609 -7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.273 -0.979 -8.743 1.00 0.00 H new ATOM 479 N GLU A 33 1.561 -6.897 -4.630 1.00 0.00 N ATOM 480 CA GLU A 33 2.337 -8.125 -4.751 1.00 0.00 C ATOM 481 C GLU A 33 2.027 -9.081 -3.602 1.00 0.00 C ATOM 482 O GLU A 33 2.415 -10.249 -3.631 1.00 0.00 O ATOM 483 CB GLU A 33 3.834 -7.809 -4.777 1.00 0.00 C ATOM 484 CG GLU A 33 4.233 -6.842 -5.879 1.00 0.00 C ATOM 485 CD GLU A 33 5.675 -7.016 -6.312 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.014 -8.099 -6.833 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.467 -6.066 -6.132 1.00 0.00 O ATOM 0 H GLU A 33 2.112 -6.072 -4.393 1.00 0.00 H new ATOM 0 HA GLU A 33 2.059 -8.609 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.125 -7.389 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.391 -8.738 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.579 -6.987 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.082 -5.820 -5.533 1.00 0.00 H new ATOM 494 N ASP A 34 1.328 -8.575 -2.593 1.00 0.00 N ATOM 495 CA ASP A 34 0.964 -9.382 -1.433 1.00 0.00 C ATOM 496 C ASP A 34 -0.400 -10.035 -1.632 1.00 0.00 C ATOM 497 O ASP A 34 -1.319 -9.448 -2.204 1.00 0.00 O ATOM 498 CB ASP A 34 0.953 -8.521 -0.170 1.00 0.00 C ATOM 499 CG ASP A 34 1.570 -9.231 1.020 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.623 -9.877 0.844 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.999 -9.140 2.127 1.00 0.00 O ATOM 0 H ASP A 34 1.001 -7.609 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 34 1.710 -10.169 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.497 -7.596 -0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.074 -8.244 0.068 1.00 0.00 H new ATOM 506 N PRO A 35 -0.537 -11.278 -1.149 1.00 0.00 N ATOM 507 CA PRO A 35 -1.785 -12.038 -1.261 1.00 0.00 C ATOM 508 C PRO A 35 -2.891 -11.469 -0.380 1.00 0.00 C ATOM 509 O PRO A 35 -4.071 -11.539 -0.725 1.00 0.00 O ATOM 510 CB PRO A 35 -1.391 -13.440 -0.787 1.00 0.00 C ATOM 511 CG PRO A 35 -0.221 -13.222 0.108 1.00 0.00 C ATOM 512 CD PRO A 35 0.517 -12.038 -0.454 1.00 0.00 C ATOM 0 HA PRO A 35 -2.188 -12.013 -2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.211 -13.923 -0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.132 -14.084 -1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.543 -13.031 1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.419 -14.104 0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.987 -11.447 0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.308 -12.345 -1.138 1.00 0.00 H new ATOM 520 N ALA A 36 -2.504 -10.906 0.759 1.00 0.00 N ATOM 521 CA ALA A 36 -3.463 -10.322 1.689 1.00 0.00 C ATOM 522 C ALA A 36 -4.254 -9.198 1.028 1.00 0.00 C ATOM 523 O ALA A 36 -5.376 -8.894 1.433 1.00 0.00 O ATOM 524 CB ALA A 36 -2.750 -9.809 2.931 1.00 0.00 C ATOM 0 H ALA A 36 -1.532 -10.842 1.061 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.166 -11.101 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.479 -9.376 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.236 -10.635 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.024 -9.048 2.645 1.00 0.00 H new ATOM 530 N TYR A 37 -3.662 -8.585 0.010 1.00 0.00 N ATOM 531 CA TYR A 37 -4.310 -7.492 -0.706 1.00 0.00 C ATOM 532 C TYR A 37 -4.592 -7.881 -2.154 1.00 0.00 C ATOM 533 O TYR A 37 -4.266 -7.141 -3.082 1.00 0.00 O ATOM 534 CB TYR A 37 -3.436 -6.237 -0.665 1.00 0.00 C ATOM 535 CG TYR A 37 -2.973 -5.868 0.727 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.872 -5.396 1.676 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.638 -5.991 1.092 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.453 -5.057 2.949 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.211 -5.655 2.362 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.122 -5.189 3.287 1.00 0.00 C ATOM 541 OH TYR A 37 -1.701 -4.852 4.553 1.00 0.00 O ATOM 0 H TYR A 37 -2.734 -8.826 -0.339 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.259 -7.282 -0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.564 -6.391 -1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.994 -5.401 -1.087 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.915 -5.292 1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.922 -6.356 0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.164 -4.691 3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.170 -5.757 2.629 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.736 -5.004 4.628 1.00 0.00 H new ATOM 551 N TRP A 38 -5.202 -9.047 -2.339 1.00 0.00 N ATOM 552 CA TRP A 38 -5.530 -9.535 -3.674 1.00 0.00 C ATOM 553 C TRP A 38 -6.719 -8.776 -4.253 1.00 0.00 C ATOM 554 O TRP A 38 -6.771 -8.508 -5.454 1.00 0.00 O ATOM 555 CB TRP A 38 -5.836 -11.032 -3.630 1.00 0.00 C ATOM 556 CG TRP A 38 -7.036 -11.369 -2.799 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.039 -11.928 -1.553 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.408 -11.170 -3.154 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.331 -12.089 -1.112 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.190 -11.631 -2.076 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.054 -10.647 -4.277 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.581 -11.583 -2.092 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.435 -10.600 -4.291 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.186 -11.065 -3.204 1.00 0.00 C ATOM 0 H TRP A 38 -5.479 -9.672 -1.582 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.667 -9.367 -4.319 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.994 -11.393 -4.646 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.969 -11.561 -3.235 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.156 -12.203 -0.996 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.606 -12.485 -0.213 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.484 -10.286 -5.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.162 -11.942 -1.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.944 -10.198 -5.155 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.264 -11.014 -3.245 1.00 0.00 H new ATOM 575 N PHE A 39 -7.672 -8.432 -3.393 1.00 0.00 N ATOM 576 CA PHE A 39 -8.861 -7.705 -3.822 1.00 0.00 C ATOM 577 C PHE A 39 -8.480 -6.412 -4.539 1.00 0.00 C ATOM 578 O PHE A 39 -9.258 -5.873 -5.325 1.00 0.00 O ATOM 579 CB PHE A 39 -9.753 -7.390 -2.620 1.00 0.00 C ATOM 580 CG PHE A 39 -9.046 -6.637 -1.529 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.765 -5.287 -1.671 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.661 -7.279 -0.362 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.113 -4.593 -0.669 1.00 0.00 C ATOM 584 CE2 PHE A 39 -8.009 -6.589 0.643 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.736 -5.243 0.489 1.00 0.00 C ATOM 0 H PHE A 39 -7.644 -8.645 -2.396 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.411 -8.338 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.610 -6.806 -2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.143 -8.323 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.059 -4.772 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.873 -8.331 -0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.898 -3.542 -0.792 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.714 -7.101 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.229 -4.701 1.273 1.00 0.00 H new ATOM 595 N LEU A 40 -7.277 -5.921 -4.259 1.00 0.00 N ATOM 596 CA LEU A 40 -6.791 -4.692 -4.876 1.00 0.00 C ATOM 597 C LEU A 40 -7.134 -4.656 -6.363 1.00 0.00 C ATOM 598 O LEU A 40 -7.744 -3.703 -6.846 1.00 0.00 O ATOM 599 CB LEU A 40 -5.279 -4.567 -4.687 1.00 0.00 C ATOM 600 CG LEU A 40 -4.809 -4.162 -3.289 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.290 -4.192 -3.207 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.336 -2.781 -2.928 1.00 0.00 C ATOM 0 H LEU A 40 -6.621 -6.355 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.283 -3.851 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.821 -5.523 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.903 -3.835 -5.401 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.206 -4.880 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.974 -3.901 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.934 -5.200 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.873 -3.497 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.992 -2.510 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.969 -2.051 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.426 -2.791 -2.945 1.00 0.00 H new ATOM 614 N SER A 41 -6.738 -5.702 -7.081 1.00 0.00 N ATOM 615 CA SER A 41 -7.001 -5.789 -8.513 1.00 0.00 C ATOM 616 C SER A 41 -8.501 -5.840 -8.787 1.00 0.00 C ATOM 617 O SER A 41 -8.990 -5.229 -9.737 1.00 0.00 O ATOM 618 CB SER A 41 -6.322 -7.026 -9.103 1.00 0.00 C ATOM 619 OG SER A 41 -5.408 -6.667 -10.126 1.00 0.00 O ATOM 0 H SER A 41 -6.234 -6.501 -6.695 1.00 0.00 H new ATOM 0 HA SER A 41 -6.592 -4.897 -8.988 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.797 -7.567 -8.316 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.077 -7.702 -9.506 1.00 0.00 H new ATOM 0 HG SER A 41 -4.986 -7.475 -10.486 1.00 0.00 H new ATOM 625 N ASP A 42 -9.225 -6.572 -7.948 1.00 0.00 N ATOM 626 CA ASP A 42 -10.670 -6.703 -8.097 1.00 0.00 C ATOM 627 C ASP A 42 -11.375 -5.403 -7.723 1.00 0.00 C ATOM 628 O ASP A 42 -10.862 -4.616 -6.927 1.00 0.00 O ATOM 629 CB ASP A 42 -11.192 -7.849 -7.231 1.00 0.00 C ATOM 630 CG ASP A 42 -12.505 -8.409 -7.742 1.00 0.00 C ATOM 631 OD1 ASP A 42 -12.569 -8.782 -8.931 1.00 0.00 O ATOM 632 OD2 ASP A 42 -13.469 -8.475 -6.951 1.00 0.00 O ATOM 0 H ASP A 42 -8.835 -7.084 -7.157 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.884 -6.923 -9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.448 -8.645 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.324 -7.497 -6.208 1.00 0.00 H new ATOM 637 N GLU A 43 -12.551 -5.185 -8.301 1.00 0.00 N ATOM 638 CA GLU A 43 -13.325 -3.980 -8.028 1.00 0.00 C ATOM 639 C GLU A 43 -14.729 -4.332 -7.545 1.00 0.00 C ATOM 640 O GLU A 43 -15.300 -3.638 -6.706 1.00 0.00 O ATOM 641 CB GLU A 43 -13.409 -3.106 -9.282 1.00 0.00 C ATOM 642 CG GLU A 43 -12.174 -2.253 -9.513 1.00 0.00 C ATOM 643 CD GLU A 43 -12.485 -0.960 -10.243 1.00 0.00 C ATOM 644 OE1 GLU A 43 -13.093 -0.061 -9.625 1.00 0.00 O ATOM 645 OE2 GLU A 43 -12.122 -0.850 -11.433 1.00 0.00 O ATOM 0 H GLU A 43 -12.989 -5.827 -8.962 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.817 -3.424 -7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.566 -3.746 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.280 -2.455 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.712 -2.022 -8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.445 -2.824 -10.088 1.00 0.00 H new ATOM 652 N ASN A 44 -15.280 -5.416 -8.084 1.00 0.00 N ATOM 653 CA ASN A 44 -16.616 -5.861 -7.709 1.00 0.00 C ATOM 654 C ASN A 44 -16.570 -6.730 -6.457 1.00 0.00 C ATOM 655 O ASN A 44 -17.076 -7.853 -6.449 1.00 0.00 O ATOM 656 CB ASN A 44 -17.259 -6.637 -8.860 1.00 0.00 C ATOM 657 CG ASN A 44 -18.728 -6.301 -9.036 1.00 0.00 C ATOM 658 OD1 ASN A 44 -19.130 -5.145 -8.909 1.00 0.00 O ATOM 659 ND2 ASN A 44 -19.535 -7.313 -9.328 1.00 0.00 N ATOM 0 H ASN A 44 -14.821 -6.002 -8.782 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.218 -4.978 -7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.726 -6.417 -9.785 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.153 -7.706 -8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.533 -7.148 -9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -19.157 -8.256 -9.424 1.00 0.00 H new ATOM 666 N SER A 45 -15.958 -6.205 -5.400 1.00 0.00 N ATOM 667 CA SER A 45 -15.842 -6.933 -4.143 1.00 0.00 C ATOM 668 C SER A 45 -16.091 -6.011 -2.954 1.00 0.00 C ATOM 669 O SER A 45 -16.303 -4.808 -3.120 1.00 0.00 O ATOM 670 CB SER A 45 -14.457 -7.572 -4.025 1.00 0.00 C ATOM 671 OG SER A 45 -13.436 -6.592 -4.099 1.00 0.00 O ATOM 0 H SER A 45 -15.535 -5.277 -5.390 1.00 0.00 H new ATOM 0 HA SER A 45 -16.599 -7.717 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.381 -8.111 -3.081 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.322 -8.304 -4.821 1.00 0.00 H new ATOM 0 HG SER A 45 -12.560 -7.025 -4.019 1.00 0.00 H new ATOM 677 N LEU A 46 -16.066 -6.581 -1.755 1.00 0.00 N ATOM 678 CA LEU A 46 -16.289 -5.811 -0.536 1.00 0.00 C ATOM 679 C LEU A 46 -14.974 -5.269 0.014 1.00 0.00 C ATOM 680 O LEU A 46 -14.874 -4.095 0.368 1.00 0.00 O ATOM 681 CB LEU A 46 -16.978 -6.676 0.520 1.00 0.00 C ATOM 682 CG LEU A 46 -16.688 -6.317 1.977 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.370 -6.931 2.426 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.664 -4.807 2.159 1.00 0.00 C ATOM 0 H LEU A 46 -15.893 -7.574 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.934 -4.968 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -18.055 -6.619 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.686 -7.713 0.358 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.486 -6.725 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.180 -6.665 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.424 -8.016 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.561 -6.553 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.456 -4.570 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.887 -4.377 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.632 -4.391 1.878 1.00 0.00 H new ATOM 696 N GLU A 47 -13.965 -6.133 0.080 1.00 0.00 N ATOM 697 CA GLU A 47 -12.656 -5.740 0.587 1.00 0.00 C ATOM 698 C GLU A 47 -12.090 -4.573 -0.218 1.00 0.00 C ATOM 699 O GLU A 47 -11.354 -3.739 0.312 1.00 0.00 O ATOM 700 CB GLU A 47 -11.688 -6.924 0.536 1.00 0.00 C ATOM 701 CG GLU A 47 -11.961 -7.979 1.596 1.00 0.00 C ATOM 702 CD GLU A 47 -10.721 -8.344 2.389 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.002 -7.422 2.826 1.00 0.00 O ATOM 704 OE2 GLU A 47 -10.470 -9.554 2.571 1.00 0.00 O ATOM 0 H GLU A 47 -14.030 -7.108 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.776 -5.422 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.745 -7.387 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.669 -6.555 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.729 -7.614 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.359 -8.874 1.118 1.00 0.00 H new ATOM 711 N TYR A 48 -12.437 -4.520 -1.498 1.00 0.00 N ATOM 712 CA TYR A 48 -11.962 -3.459 -2.377 1.00 0.00 C ATOM 713 C TYR A 48 -12.833 -2.212 -2.244 1.00 0.00 C ATOM 714 O TYR A 48 -12.389 -1.097 -2.520 1.00 0.00 O ATOM 715 CB TYR A 48 -11.953 -3.935 -3.829 1.00 0.00 C ATOM 716 CG TYR A 48 -11.559 -2.860 -4.818 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.499 -1.964 -5.312 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.246 -2.742 -5.258 1.00 0.00 C ATOM 719 CE1 TYR A 48 -12.143 -0.982 -6.214 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.881 -1.760 -6.159 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.834 -0.883 -6.635 1.00 0.00 C ATOM 722 OH TYR A 48 -10.475 0.095 -7.534 1.00 0.00 O ATOM 0 H TYR A 48 -13.047 -5.201 -1.951 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.945 -3.204 -2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.263 -4.774 -3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.945 -4.308 -4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.526 -2.037 -4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.499 -3.429 -4.890 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.887 -0.294 -6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.856 -1.679 -6.489 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.516 0.027 -7.726 1.00 0.00 H new ATOM 732 N LYS A 49 -14.076 -2.409 -1.820 1.00 0.00 N ATOM 733 CA LYS A 49 -15.011 -1.304 -1.647 1.00 0.00 C ATOM 734 C LYS A 49 -14.549 -0.369 -0.534 1.00 0.00 C ATOM 735 O LYS A 49 -14.922 0.804 -0.500 1.00 0.00 O ATOM 736 CB LYS A 49 -16.411 -1.837 -1.332 1.00 0.00 C ATOM 737 CG LYS A 49 -17.409 -1.626 -2.457 1.00 0.00 C ATOM 738 CD LYS A 49 -18.356 -2.807 -2.591 1.00 0.00 C ATOM 739 CE LYS A 49 -18.639 -3.131 -4.050 1.00 0.00 C ATOM 740 NZ LYS A 49 -20.081 -3.425 -4.283 1.00 0.00 N ATOM 0 H LYS A 49 -14.460 -3.325 -1.589 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.045 -0.741 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.344 -2.902 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.783 -1.348 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.982 -0.718 -2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.875 -1.478 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.923 -3.679 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.292 -2.584 -2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.334 -2.291 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.040 -3.989 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.233 -3.641 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.366 -4.242 -3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.652 -2.597 -4.016 1.00 0.00 H new ATOM 754 N TYR A 50 -13.735 -0.896 0.374 1.00 0.00 N ATOM 755 CA TYR A 50 -13.222 -0.108 1.489 1.00 0.00 C ATOM 756 C TYR A 50 -11.965 0.655 1.085 1.00 0.00 C ATOM 757 O TYR A 50 -11.933 1.886 1.120 1.00 0.00 O ATOM 758 CB TYR A 50 -12.921 -1.013 2.684 1.00 0.00 C ATOM 759 CG TYR A 50 -14.150 -1.400 3.476 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.302 -1.840 2.837 1.00 0.00 C ATOM 761 CD2 TYR A 50 -14.157 -1.327 4.864 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.427 -2.194 3.557 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.277 -1.680 5.592 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.410 -2.112 4.934 1.00 0.00 C ATOM 765 OH TYR A 50 -17.527 -2.465 5.655 1.00 0.00 O ATOM 0 H TYR A 50 -13.416 -1.865 0.360 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.987 0.614 1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.428 -1.918 2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.218 -0.506 3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.319 -1.907 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.272 -0.989 5.382 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.315 -2.533 3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.266 -1.618 6.670 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.348 -2.351 6.612 1.00 0.00 H new ATOM 775 N TYR A 51 -10.930 -0.084 0.700 1.00 0.00 N ATOM 776 CA TYR A 51 -9.669 0.521 0.290 1.00 0.00 C ATOM 777 C TYR A 51 -9.912 1.767 -0.558 1.00 0.00 C ATOM 778 O TYR A 51 -9.142 2.725 -0.509 1.00 0.00 O ATOM 779 CB TYR A 51 -8.826 -0.486 -0.494 1.00 0.00 C ATOM 780 CG TYR A 51 -7.591 0.117 -1.122 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.509 0.504 -0.341 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.504 0.301 -2.497 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.378 1.056 -0.911 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.378 0.851 -3.075 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.316 1.226 -2.278 1.00 0.00 C ATOM 786 OH TYR A 51 -4.192 1.776 -2.850 1.00 0.00 O ATOM 0 H TYR A 51 -10.940 -1.103 0.663 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.128 0.815 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.526 -1.294 0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.441 -0.931 -1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.553 0.371 0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.333 0.008 -3.125 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.547 1.353 -0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.328 0.987 -4.145 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.310 1.825 -3.822 1.00 0.00 H new ATOM 796 N LYS A 52 -10.990 1.745 -1.335 1.00 0.00 N ATOM 797 CA LYS A 52 -11.339 2.870 -2.192 1.00 0.00 C ATOM 798 C LYS A 52 -12.235 3.859 -1.455 1.00 0.00 C ATOM 799 O LYS A 52 -12.167 5.067 -1.686 1.00 0.00 O ATOM 800 CB LYS A 52 -12.041 2.374 -3.459 1.00 0.00 C ATOM 801 CG LYS A 52 -11.097 1.757 -4.475 1.00 0.00 C ATOM 802 CD LYS A 52 -10.195 2.804 -5.107 1.00 0.00 C ATOM 803 CE LYS A 52 -10.752 3.294 -6.433 1.00 0.00 C ATOM 804 NZ LYS A 52 -9.673 3.565 -7.423 1.00 0.00 N ATOM 0 H LYS A 52 -11.637 0.959 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.418 3.381 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.795 1.637 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.566 3.208 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.487 0.995 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.674 1.256 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.082 3.647 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.201 2.384 -5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.436 2.548 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.331 4.203 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.095 3.897 -8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.034 4.295 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.136 2.692 -7.599 1.00 0.00 H new ATOM 818 N LEU A 53 -13.076 3.340 -0.566 1.00 0.00 N ATOM 819 CA LEU A 53 -13.986 4.178 0.206 1.00 0.00 C ATOM 820 C LEU A 53 -13.276 4.784 1.412 1.00 0.00 C ATOM 821 O LEU A 53 -13.044 5.992 1.467 1.00 0.00 O ATOM 822 CB LEU A 53 -15.194 3.360 0.670 1.00 0.00 C ATOM 823 CG LEU A 53 -16.031 3.978 1.790 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.552 3.488 3.148 1.00 0.00 C ATOM 825 CD2 LEU A 53 -15.979 5.496 1.721 1.00 0.00 C ATOM 0 H LEU A 53 -13.146 2.343 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.328 4.989 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.843 3.188 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.841 2.384 1.003 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.066 3.664 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.160 3.939 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.644 2.403 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.509 3.771 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.581 5.918 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.947 5.830 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.372 5.830 0.761 1.00 0.00 H new ATOM 837 N LYS A 54 -12.930 3.939 2.377 1.00 0.00 N ATOM 838 CA LYS A 54 -12.243 4.389 3.580 1.00 0.00 C ATOM 839 C LYS A 54 -11.145 5.391 3.238 1.00 0.00 C ATOM 840 O LYS A 54 -10.831 6.280 4.031 1.00 0.00 O ATOM 841 CB LYS A 54 -11.643 3.196 4.327 1.00 0.00 C ATOM 842 CG LYS A 54 -11.704 3.331 5.840 1.00 0.00 C ATOM 843 CD LYS A 54 -13.083 2.980 6.375 1.00 0.00 C ATOM 844 CE LYS A 54 -13.220 3.348 7.844 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.182 2.145 8.723 1.00 0.00 N ATOM 0 H LYS A 54 -13.115 2.936 2.348 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.974 4.882 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.171 2.290 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.603 3.074 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.959 2.678 6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.451 4.352 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.844 3.503 5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.263 1.913 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.416 4.028 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.158 3.882 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.125 1.983 9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.900 1.315 8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.494 2.296 9.489 1.00 0.00 H new ATOM 859 N LEU A 55 -10.566 5.245 2.051 1.00 0.00 N ATOM 860 CA LEU A 55 -9.504 6.138 1.602 1.00 0.00 C ATOM 861 C LEU A 55 -10.071 7.493 1.187 1.00 0.00 C ATOM 862 O LEU A 55 -9.539 8.539 1.557 1.00 0.00 O ATOM 863 CB LEU A 55 -8.744 5.511 0.432 1.00 0.00 C ATOM 864 CG LEU A 55 -7.568 6.322 -0.115 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.473 6.448 0.933 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.023 5.681 -1.383 1.00 0.00 C ATOM 0 H LEU A 55 -10.814 4.516 1.382 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.816 6.291 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.372 4.536 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.449 5.336 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.924 7.322 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.645 7.028 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.870 6.951 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.119 5.455 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.187 6.271 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.683 4.669 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.808 5.643 -2.138 1.00 0.00 H new ATOM 878 N ALA A 56 -11.156 7.465 0.419 1.00 0.00 N ATOM 879 CA ALA A 56 -11.797 8.689 -0.042 1.00 0.00 C ATOM 880 C ALA A 56 -12.276 9.534 1.135 1.00 0.00 C ATOM 881 O ALA A 56 -12.054 10.744 1.172 1.00 0.00 O ATOM 882 CB ALA A 56 -12.961 8.360 -0.965 1.00 0.00 C ATOM 0 H ALA A 56 -11.609 6.607 0.103 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.060 9.269 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.431 9.284 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.595 7.803 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.692 7.756 -0.427 1.00 0.00 H new ATOM 888 N GLU A 57 -12.934 8.889 2.092 1.00 0.00 N ATOM 889 CA GLU A 57 -13.445 9.582 3.268 1.00 0.00 C ATOM 890 C GLU A 57 -12.302 10.029 4.176 1.00 0.00 C ATOM 891 O GLU A 57 -12.342 11.117 4.751 1.00 0.00 O ATOM 892 CB GLU A 57 -14.404 8.677 4.045 1.00 0.00 C ATOM 893 CG GLU A 57 -13.702 7.621 4.881 1.00 0.00 C ATOM 894 CD GLU A 57 -14.646 6.897 5.821 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.365 7.579 6.580 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.666 5.649 5.796 1.00 0.00 O ATOM 0 H GLU A 57 -13.126 7.887 2.076 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.985 10.466 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.023 9.293 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.075 8.184 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.227 6.896 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.908 8.091 5.461 1.00 0.00 H new ATOM 903 N MET A 58 -11.286 9.182 4.299 1.00 0.00 N ATOM 904 CA MET A 58 -10.133 9.490 5.136 1.00 0.00 C ATOM 905 C MET A 58 -9.283 10.589 4.507 1.00 0.00 C ATOM 906 O MET A 58 -8.641 11.369 5.211 1.00 0.00 O ATOM 907 CB MET A 58 -9.284 8.235 5.352 1.00 0.00 C ATOM 908 CG MET A 58 -9.879 7.266 6.362 1.00 0.00 C ATOM 909 SD MET A 58 -9.682 7.829 8.064 1.00 0.00 S ATOM 910 CE MET A 58 -7.993 7.335 8.391 1.00 0.00 C ATOM 0 H MET A 58 -11.238 8.278 3.830 1.00 0.00 H new ATOM 0 HA MET A 58 -10.499 9.844 6.100 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.159 7.722 4.398 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.290 8.532 5.687 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.939 7.130 6.149 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.404 6.292 6.248 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.508 8.087 9.013 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.988 6.377 8.911 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.453 7.240 7.449 1.00 0.00 H new ATOM 920 N GLN A 59 -9.283 10.645 3.179 1.00 0.00 N ATOM 921 CA GLN A 59 -8.512 11.650 2.457 1.00 0.00 C ATOM 922 C GLN A 59 -9.179 13.018 2.546 1.00 0.00 C ATOM 923 O GLN A 59 -8.557 13.998 2.957 1.00 0.00 O ATOM 924 CB GLN A 59 -8.350 11.243 0.992 1.00 0.00 C ATOM 925 CG GLN A 59 -7.080 10.454 0.716 1.00 0.00 C ATOM 926 CD GLN A 59 -6.395 10.879 -0.568 1.00 0.00 C ATOM 927 OE1 GLN A 59 -6.193 12.067 -0.813 1.00 0.00 O ATOM 928 NE2 GLN A 59 -6.033 9.905 -1.396 1.00 0.00 N ATOM 0 H GLN A 59 -9.808 10.006 2.582 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.527 11.717 2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.211 10.646 0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.353 12.140 0.372 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.390 10.580 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.321 9.393 0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.220 8.932 -1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.568 10.130 -2.275 1.00 0.00 H new ATOM 937 N ARG A 60 -10.449 13.077 2.158 1.00 0.00 N ATOM 938 CA ARG A 60 -11.201 14.325 2.193 1.00 0.00 C ATOM 939 C ARG A 60 -11.156 14.949 3.585 1.00 0.00 C ATOM 940 O ARG A 60 -11.053 16.167 3.728 1.00 0.00 O ATOM 941 CB ARG A 60 -12.653 14.083 1.778 1.00 0.00 C ATOM 942 CG ARG A 60 -13.493 13.422 2.859 1.00 0.00 C ATOM 943 CD ARG A 60 -14.963 13.378 2.473 1.00 0.00 C ATOM 944 NE ARG A 60 -15.813 12.988 3.595 1.00 0.00 N ATOM 945 CZ ARG A 60 -17.130 13.156 3.613 1.00 0.00 C ATOM 946 NH1 ARG A 60 -17.746 13.703 2.574 1.00 0.00 N ATOM 947 NH2 ARG A 60 -17.835 12.776 4.672 1.00 0.00 N ATOM 0 H ARG A 60 -10.978 12.275 1.816 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.740 15.017 1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.108 15.036 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.668 13.458 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.131 12.409 3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.378 13.968 3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.271 14.358 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.101 12.674 1.652 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.370 12.563 4.410 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -17.208 13.996 1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.758 13.831 2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.365 12.354 5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.847 12.906 4.684 1.00 0.00 H new ATOM 961 N SER A 61 -11.234 14.105 4.609 1.00 0.00 N ATOM 962 CA SER A 61 -11.206 14.573 5.990 1.00 0.00 C ATOM 963 C SER A 61 -9.771 14.754 6.473 1.00 0.00 C ATOM 964 O SER A 61 -8.910 13.910 6.228 1.00 0.00 O ATOM 965 CB SER A 61 -11.943 13.587 6.900 1.00 0.00 C ATOM 966 OG SER A 61 -13.270 14.017 7.148 1.00 0.00 O ATOM 0 H SER A 61 -11.317 13.093 4.508 1.00 0.00 H new ATOM 0 HA SER A 61 -11.709 15.539 6.031 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.958 12.601 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.407 13.488 7.844 1.00 0.00 H new ATOM 0 HG SER A 61 -13.720 13.370 7.730 1.00 0.00 H new ATOM 972 N GLY A 62 -9.521 15.862 7.164 1.00 0.00 N ATOM 973 CA GLY A 62 -8.189 16.136 7.671 1.00 0.00 C ATOM 974 C GLY A 62 -7.771 17.576 7.456 1.00 0.00 C ATOM 975 O GLY A 62 -8.600 18.460 7.237 1.00 0.00 O ATOM 0 H GLY A 62 -10.217 16.575 7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.155 15.906 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.474 15.476 7.180 1.00 0.00 H new ATOM 979 N PRO A 63 -6.455 17.831 7.520 1.00 0.00 N ATOM 980 CA PRO A 63 -5.899 19.175 7.334 1.00 0.00 C ATOM 981 C PRO A 63 -6.023 19.658 5.894 1.00 0.00 C ATOM 982 O PRO A 63 -5.560 20.747 5.553 1.00 0.00 O ATOM 983 CB PRO A 63 -4.427 19.005 7.717 1.00 0.00 C ATOM 984 CG PRO A 63 -4.135 17.564 7.472 1.00 0.00 C ATOM 985 CD PRO A 63 -5.410 16.826 7.777 1.00 0.00 C ATOM 0 HA PRO A 63 -6.425 19.921 7.930 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.785 19.647 7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.256 19.272 8.760 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.825 17.398 6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.321 17.217 8.109 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.530 15.950 7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.435 16.475 8.809 1.00 0.00 H new ATOM 993 N SER A 64 -6.650 18.844 5.052 1.00 0.00 N ATOM 994 CA SER A 64 -6.832 19.189 3.646 1.00 0.00 C ATOM 995 C SER A 64 -8.300 19.474 3.343 1.00 0.00 C ATOM 996 O SER A 64 -9.151 18.592 3.452 1.00 0.00 O ATOM 997 CB SER A 64 -6.325 18.056 2.752 1.00 0.00 C ATOM 998 OG SER A 64 -6.715 18.257 1.404 1.00 0.00 O ATOM 0 H SER A 64 -7.041 17.940 5.318 1.00 0.00 H new ATOM 0 HA SER A 64 -6.255 20.090 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.238 17.997 2.815 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.717 17.104 3.109 1.00 0.00 H new ATOM 0 HG SER A 64 -6.378 17.520 0.853 1.00 0.00 H new ATOM 1004 N SER A 65 -8.588 20.715 2.960 1.00 0.00 N ATOM 1005 CA SER A 65 -9.953 21.118 2.643 1.00 0.00 C ATOM 1006 C SER A 65 -10.502 20.307 1.474 1.00 0.00 C ATOM 1007 O SER A 65 -9.766 19.929 0.565 1.00 0.00 O ATOM 1008 CB SER A 65 -10.001 22.611 2.310 1.00 0.00 C ATOM 1009 OG SER A 65 -10.810 23.315 3.237 1.00 0.00 O ATOM 0 H SER A 65 -7.895 21.457 2.862 1.00 0.00 H new ATOM 0 HA SER A 65 -10.575 20.927 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.991 23.021 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.393 22.750 1.302 1.00 0.00 H new ATOM 0 HG SER A 65 -10.823 24.267 3.003 1.00 0.00 H new ATOM 1015 N GLY A 66 -11.806 20.042 1.507 1.00 0.00 N ATOM 1016 CA GLY A 66 -12.434 19.276 0.446 1.00 0.00 C ATOM 1017 C GLY A 66 -13.622 18.474 0.935 1.00 0.00 C ATOM 1018 O GLY A 66 -14.668 18.444 0.287 1.00 0.00 O ATOM 0 H GLY A 66 -12.437 20.344 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.758 19.953 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.700 18.601 0.006 1.00 0.00 H new TER 1022 GLY A 66