USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 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 19 MET CE :methyl 134:sc= -0.665 (180deg=-2.36!) USER MOD Single : A 25 SER OG : rot -99:sc= -2.41! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= -0.147 (180deg=-0.147) USER MOD Single : A 44 THR OG1 : rot -22:sc= 0.313 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -167:sc= -0.0137 (180deg=-0.303) USER MOD Single : A 49 THR OG1 : rot -179:sc= -5.53! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 30:sc= -0.0989 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.07) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -0.0116 (180deg=-0.17) USER MOD ----------------------------------------------------------------- ATOM 8 N LEU A 18 -6.482 3.452 8.081 1.00 0.00 N ATOM 9 CA LEU A 18 -5.601 4.093 7.114 1.00 0.00 C ATOM 10 C LEU A 18 -6.114 3.880 5.691 1.00 0.00 C ATOM 11 O LEU A 18 -6.890 2.943 5.427 1.00 0.00 O ATOM 12 CB LEU A 18 -4.168 3.564 7.244 1.00 0.00 C ATOM 13 CG LEU A 18 -3.762 3.113 8.650 1.00 0.00 C ATOM 14 CD1 LEU A 18 -2.595 2.141 8.581 1.00 0.00 C ATOM 15 CD2 LEU A 18 -3.408 4.316 9.511 1.00 0.00 C ATOM 0 HA LEU A 18 -5.594 5.162 7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.045 2.723 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.480 4.343 6.917 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.608 2.600 9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.320 1.831 9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.884 1.266 7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.743 2.628 8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.122 3.979 10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.577 4.856 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.272 4.977 9.586 1.00 0.00 H new ATOM 27 N MET A 19 -5.658 4.736 4.770 1.00 0.00 N ATOM 28 CA MET A 19 -6.060 4.627 3.378 1.00 0.00 C ATOM 29 C MET A 19 -4.865 4.166 2.591 1.00 0.00 C ATOM 30 O MET A 19 -3.791 4.763 2.677 1.00 0.00 O ATOM 31 CB MET A 19 -6.574 5.968 2.858 1.00 0.00 C ATOM 32 CG MET A 19 -7.464 6.706 3.847 1.00 0.00 C ATOM 33 SD MET A 19 -8.411 8.032 3.075 1.00 0.00 S ATOM 34 CE MET A 19 -9.305 7.121 1.817 1.00 0.00 C ATOM 0 H MET A 19 -5.016 5.503 4.968 1.00 0.00 H new ATOM 0 HA MET A 19 -6.875 3.911 3.274 1.00 0.00 H new ATOM 0 HB2 MET A 19 -5.723 6.601 2.606 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.131 5.801 1.936 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.150 5.997 4.311 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.848 7.122 4.644 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.352 7.424 1.824 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.873 7.332 0.839 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.235 6.053 2.022 1.00 0.00 H new ATOM 44 N VAL A 20 -4.999 3.085 1.867 1.00 0.00 N ATOM 45 CA VAL A 20 -3.871 2.541 1.137 1.00 0.00 C ATOM 46 C VAL A 20 -4.217 2.263 -0.311 1.00 0.00 C ATOM 47 O VAL A 20 -5.289 1.742 -0.603 1.00 0.00 O ATOM 48 CB VAL A 20 -3.425 1.231 1.825 1.00 0.00 C ATOM 49 CG1 VAL A 20 -2.327 0.509 1.062 1.00 0.00 C ATOM 50 CG2 VAL A 20 -2.990 1.519 3.253 1.00 0.00 C ATOM 0 H VAL A 20 -5.869 2.563 1.764 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.066 3.276 1.145 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.284 0.560 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.055 -0.403 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.684 0.255 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.454 1.156 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.677 0.591 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.157 2.222 3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.824 1.950 3.807 1.00 0.00 H new ATOM 60 N GLU A 21 -3.292 2.528 -1.220 1.00 0.00 N ATOM 61 CA GLU A 21 -3.536 2.183 -2.608 1.00 0.00 C ATOM 62 C GLU A 21 -3.033 0.767 -2.714 1.00 0.00 C ATOM 63 O GLU A 21 -1.880 0.511 -2.379 1.00 0.00 O ATOM 64 CB GLU A 21 -2.778 3.112 -3.561 1.00 0.00 C ATOM 65 CG GLU A 21 -3.355 4.518 -3.626 1.00 0.00 C ATOM 66 CD GLU A 21 -2.396 5.567 -3.100 1.00 0.00 C ATOM 67 OE1 GLU A 21 -1.428 5.903 -3.817 1.00 0.00 O ATOM 68 OE2 GLU A 21 -2.612 6.056 -1.971 1.00 0.00 O ATOM 0 H GLU A 21 -2.392 2.968 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.585 2.284 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.736 3.170 -3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.786 2.678 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.614 4.753 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.279 4.554 -3.049 1.00 0.00 H new ATOM 75 N VAL A 22 -3.875 -0.176 -3.095 1.00 0.00 N ATOM 76 CA VAL A 22 -3.417 -1.556 -3.089 1.00 0.00 C ATOM 77 C VAL A 22 -3.648 -2.335 -4.357 1.00 0.00 C ATOM 78 O VAL A 22 -4.740 -2.329 -4.929 1.00 0.00 O ATOM 79 CB VAL A 22 -4.084 -2.325 -1.939 1.00 0.00 C ATOM 80 CG1 VAL A 22 -3.453 -3.702 -1.762 1.00 0.00 C ATOM 81 CG2 VAL A 22 -3.998 -1.520 -0.655 1.00 0.00 C ATOM 0 H VAL A 22 -4.837 -0.026 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.336 -1.474 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.135 -2.474 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.944 -4.225 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.571 -4.277 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.392 -3.590 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.474 -2.074 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.952 -1.342 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.507 -0.565 -0.789 1.00 0.00 H new ATOM 91 N VAL A 23 -2.621 -3.098 -4.718 1.00 0.00 N ATOM 92 CA VAL A 23 -2.707 -4.001 -5.833 1.00 0.00 C ATOM 93 C VAL A 23 -2.352 -5.399 -5.322 1.00 0.00 C ATOM 94 O VAL A 23 -1.240 -5.658 -4.855 1.00 0.00 O ATOM 95 CB VAL A 23 -1.748 -3.607 -6.973 1.00 0.00 C ATOM 96 CG1 VAL A 23 -2.019 -4.444 -8.213 1.00 0.00 C ATOM 97 CG2 VAL A 23 -1.871 -2.122 -7.283 1.00 0.00 C ATOM 0 H VAL A 23 -1.718 -3.100 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.717 -3.968 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.726 -3.804 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.332 -4.151 -9.007 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.874 -5.499 -7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.045 -4.283 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.187 -1.861 -8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.893 -1.897 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.621 -1.543 -6.394 1.00 0.00 H new ATOM 107 N GLU A 24 -3.316 -6.288 -5.433 1.00 0.00 N ATOM 108 CA GLU A 24 -3.176 -7.668 -4.995 1.00 0.00 C ATOM 109 C GLU A 24 -3.972 -8.618 -5.892 1.00 0.00 C ATOM 110 O GLU A 24 -4.683 -8.186 -6.808 1.00 0.00 O ATOM 111 CB GLU A 24 -3.650 -7.806 -3.546 1.00 0.00 C ATOM 112 CG GLU A 24 -2.767 -7.081 -2.542 1.00 0.00 C ATOM 113 CD GLU A 24 -2.420 -7.940 -1.343 1.00 0.00 C ATOM 114 OE1 GLU A 24 -3.197 -8.869 -1.032 1.00 0.00 O ATOM 115 OE2 GLU A 24 -1.371 -7.686 -0.713 1.00 0.00 O ATOM 0 H GLU A 24 -4.230 -6.075 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.122 -7.938 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.667 -7.421 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.689 -8.864 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.848 -6.764 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.275 -6.178 -2.203 1.00 0.00 H new ATOM 122 N SER A 25 -3.845 -9.914 -5.620 1.00 0.00 N ATOM 123 CA SER A 25 -4.551 -10.935 -6.383 1.00 0.00 C ATOM 124 C SER A 25 -4.132 -10.920 -7.853 1.00 0.00 C ATOM 125 O SER A 25 -4.297 -9.913 -8.542 1.00 0.00 O ATOM 126 CB SER A 25 -6.063 -10.725 -6.262 1.00 0.00 C ATOM 127 OG SER A 25 -6.414 -10.296 -4.954 1.00 0.00 O ATOM 0 H SER A 25 -3.256 -10.282 -4.873 1.00 0.00 H new ATOM 0 HA SER A 25 -4.288 -11.909 -5.970 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.390 -9.984 -6.992 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.583 -11.654 -6.496 1.00 0.00 H new ATOM 0 HG SER A 25 -6.736 -11.062 -4.434 1.00 0.00 H new ATOM 205 N VAL A 31 -7.479 -7.320 -8.041 1.00 0.00 N ATOM 206 CA VAL A 31 -8.104 -6.318 -7.188 1.00 0.00 C ATOM 207 C VAL A 31 -7.102 -5.242 -6.850 1.00 0.00 C ATOM 208 O VAL A 31 -6.380 -5.330 -5.837 1.00 0.00 O ATOM 209 CB VAL A 31 -8.654 -6.941 -5.901 1.00 0.00 C ATOM 210 CG1 VAL A 31 -7.603 -7.810 -5.230 1.00 0.00 C ATOM 211 CG2 VAL A 31 -9.173 -5.885 -4.941 1.00 0.00 C ATOM 0 HA VAL A 31 -8.941 -5.883 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.498 -7.572 -6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.016 -8.242 -4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.305 -8.610 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.733 -7.202 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.554 -6.367 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.363 -5.207 -4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.975 -5.322 -5.418 1.00 0.00 H new ATOM 221 N GLY A 32 -7.125 -4.183 -7.620 1.00 0.00 N ATOM 222 CA GLY A 32 -6.267 -3.071 -7.344 1.00 0.00 C ATOM 223 C GLY A 32 -7.078 -1.815 -7.430 1.00 0.00 C ATOM 224 O GLY A 32 -7.517 -1.395 -8.486 1.00 0.00 O ATOM 0 H GLY A 32 -7.726 -4.073 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.825 -3.170 -6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.444 -3.041 -8.058 1.00 0.00 H new ATOM 228 N ILE A 33 -7.223 -1.161 -6.331 1.00 0.00 N ATOM 229 CA ILE A 33 -7.960 0.052 -6.297 1.00 0.00 C ATOM 230 C ILE A 33 -7.601 0.837 -5.088 1.00 0.00 C ATOM 231 O ILE A 33 -6.709 0.474 -4.314 1.00 0.00 O ATOM 232 CB ILE A 33 -9.494 -0.124 -6.401 1.00 0.00 C ATOM 233 CG1 ILE A 33 -10.188 -0.217 -5.041 1.00 0.00 C ATOM 234 CG2 ILE A 33 -9.871 -1.310 -7.262 1.00 0.00 C ATOM 235 CD1 ILE A 33 -11.368 0.722 -4.909 1.00 0.00 C ATOM 0 H ILE A 33 -6.835 -1.451 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.673 0.599 -7.195 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.853 0.785 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.527 -1.241 -4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.466 0.005 -4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.957 -1.396 -7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.476 -1.170 -8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.453 -2.220 -6.831 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -11.816 0.607 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.031 1.751 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.108 0.486 -5.673 1.00 0.00 H new ATOM 247 N LYS A 34 -8.304 1.916 -4.939 1.00 0.00 N ATOM 248 CA LYS A 34 -8.129 2.720 -3.758 1.00 0.00 C ATOM 249 C LYS A 34 -8.869 1.909 -2.701 1.00 0.00 C ATOM 250 O LYS A 34 -10.041 1.593 -2.880 1.00 0.00 O ATOM 251 CB LYS A 34 -8.742 4.115 -3.924 1.00 0.00 C ATOM 252 CG LYS A 34 -8.390 4.781 -5.244 1.00 0.00 C ATOM 253 CD LYS A 34 -7.227 5.752 -5.090 1.00 0.00 C ATOM 254 CE LYS A 34 -5.988 5.260 -5.821 1.00 0.00 C ATOM 255 NZ LYS A 34 -5.037 6.370 -6.109 1.00 0.00 N ATOM 0 H LYS A 34 -8.995 2.261 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.083 2.908 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.826 4.038 -3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.405 4.750 -3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.133 4.019 -5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.261 5.313 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.515 6.730 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.999 5.882 -4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.489 4.501 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.283 4.783 -6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.206 5.994 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.505 7.083 -6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.735 6.809 -5.216 1.00 0.00 H new ATOM 269 N GLY A 35 -8.187 1.498 -1.654 1.00 0.00 N ATOM 270 CA GLY A 35 -8.822 0.634 -0.682 1.00 0.00 C ATOM 271 C GLY A 35 -8.590 1.012 0.752 1.00 0.00 C ATOM 272 O GLY A 35 -7.846 1.954 1.064 1.00 0.00 O ATOM 0 H GLY A 35 -7.216 1.740 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.895 0.627 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.465 -0.384 -0.836 1.00 0.00 H new ATOM 276 N GLU A 36 -9.237 0.260 1.630 1.00 0.00 N ATOM 277 CA GLU A 36 -9.121 0.504 3.070 1.00 0.00 C ATOM 278 C GLU A 36 -8.256 -0.549 3.750 1.00 0.00 C ATOM 279 O GLU A 36 -8.268 -1.722 3.342 1.00 0.00 O ATOM 280 CB GLU A 36 -10.509 0.536 3.715 1.00 0.00 C ATOM 281 CG GLU A 36 -10.711 1.700 4.669 1.00 0.00 C ATOM 282 CD GLU A 36 -10.573 1.294 6.123 1.00 0.00 C ATOM 283 OE1 GLU A 36 -9.499 0.779 6.497 1.00 0.00 O ATOM 284 OE2 GLU A 36 -11.541 1.489 6.889 1.00 0.00 O ATOM 0 H GLU A 36 -9.845 -0.520 1.379 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.638 1.472 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.264 0.586 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.671 -0.397 4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.984 2.480 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.700 2.129 4.508 1.00 0.00 H new ATOM 291 N VAL A 37 -7.494 -0.138 4.781 1.00 0.00 N ATOM 292 CA VAL A 37 -6.628 -1.086 5.490 1.00 0.00 C ATOM 293 C VAL A 37 -6.905 -1.156 6.980 1.00 0.00 C ATOM 294 O VAL A 37 -6.843 -0.159 7.700 1.00 0.00 O ATOM 295 CB VAL A 37 -5.138 -0.778 5.277 1.00 0.00 C ATOM 296 CG1 VAL A 37 -4.820 -0.753 3.797 1.00 0.00 C ATOM 297 CG2 VAL A 37 -4.751 0.534 5.939 1.00 0.00 C ATOM 0 H VAL A 37 -7.462 0.819 5.131 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.866 -2.056 5.054 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.551 -1.568 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.762 -0.534 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.051 -1.724 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.418 0.017 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.691 0.727 5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.339 1.345 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.944 0.472 7.010 1.00 0.00 H new ATOM 307 N VAL A 38 -7.167 -2.373 7.428 1.00 0.00 N ATOM 308 CA VAL A 38 -7.417 -2.660 8.822 1.00 0.00 C ATOM 309 C VAL A 38 -6.562 -3.847 9.262 1.00 0.00 C ATOM 310 O VAL A 38 -6.339 -4.789 8.491 1.00 0.00 O ATOM 311 CB VAL A 38 -8.902 -2.978 9.082 1.00 0.00 C ATOM 312 CG1 VAL A 38 -9.755 -1.733 8.901 1.00 0.00 C ATOM 313 CG2 VAL A 38 -9.376 -4.097 8.166 1.00 0.00 C ATOM 0 H VAL A 38 -7.211 -3.194 6.824 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.155 -1.772 9.397 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.008 -3.314 10.113 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.800 -1.978 9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.431 -0.964 9.603 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.647 -1.363 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.427 -4.308 8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.256 -3.792 7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.785 -4.994 8.351 1.00 0.00 H new ATOM 395 N THR A 44 -1.312 -8.768 11.215 1.00 0.00 N ATOM 396 CA THR A 44 -1.499 -9.024 9.792 1.00 0.00 C ATOM 397 C THR A 44 -2.160 -7.822 9.132 1.00 0.00 C ATOM 398 O THR A 44 -2.808 -7.020 9.805 1.00 0.00 O ATOM 399 CB THR A 44 -2.350 -10.278 9.582 1.00 0.00 C ATOM 400 OG1 THR A 44 -3.471 -10.274 10.451 1.00 0.00 O ATOM 401 CG2 THR A 44 -1.591 -11.564 9.818 1.00 0.00 C ATOM 0 HA THR A 44 -0.524 -9.189 9.334 1.00 0.00 H new ATOM 0 HB THR A 44 -2.659 -10.245 8.537 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.288 -9.692 11.218 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.254 -12.413 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.748 -11.621 9.129 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.223 -11.586 10.844 1.00 0.00 H new ATOM 409 N LEU A 45 -2.000 -7.692 7.820 1.00 0.00 N ATOM 410 CA LEU A 45 -2.591 -6.569 7.106 1.00 0.00 C ATOM 411 C LEU A 45 -3.674 -7.034 6.141 1.00 0.00 C ATOM 412 O LEU A 45 -3.427 -7.865 5.268 1.00 0.00 O ATOM 413 CB LEU A 45 -1.506 -5.798 6.345 1.00 0.00 C ATOM 414 CG LEU A 45 -1.100 -4.463 6.971 1.00 0.00 C ATOM 415 CD1 LEU A 45 0.305 -4.074 6.538 1.00 0.00 C ATOM 416 CD2 LEU A 45 -2.098 -3.375 6.606 1.00 0.00 C ATOM 0 H LEU A 45 -1.473 -8.342 7.236 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.054 -5.910 7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.621 -6.429 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.857 -5.614 5.330 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.103 -4.577 8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.576 -3.122 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.010 -4.842 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.338 -3.979 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.792 -2.433 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.132 -3.261 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.087 -3.650 6.973 1.00 0.00 H new ATOM 427 N LYS A 46 -4.869 -6.477 6.295 1.00 0.00 N ATOM 428 CA LYS A 46 -5.987 -6.818 5.427 1.00 0.00 C ATOM 429 C LYS A 46 -6.417 -5.584 4.647 1.00 0.00 C ATOM 430 O LYS A 46 -6.716 -4.548 5.238 1.00 0.00 O ATOM 431 CB LYS A 46 -7.151 -7.349 6.266 1.00 0.00 C ATOM 432 CG LYS A 46 -8.339 -7.822 5.446 1.00 0.00 C ATOM 433 CD LYS A 46 -9.244 -8.732 6.261 1.00 0.00 C ATOM 434 CE LYS A 46 -10.259 -7.936 7.066 1.00 0.00 C ATOM 435 NZ LYS A 46 -10.448 -8.496 8.433 1.00 0.00 N ATOM 0 H LYS A 46 -5.088 -5.787 7.014 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.681 -7.593 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.795 -8.176 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.482 -6.565 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.907 -6.961 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.986 -8.353 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.765 -9.419 5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.639 -9.339 6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.930 -6.899 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.214 -7.930 6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.148 -7.925 8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.786 -9.477 8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.542 -8.478 8.944 1.00 0.00 H new ATOM 449 N ILE A 47 -6.440 -5.680 3.324 1.00 0.00 N ATOM 450 CA ILE A 47 -6.828 -4.536 2.503 1.00 0.00 C ATOM 451 C ILE A 47 -7.877 -4.918 1.477 1.00 0.00 C ATOM 452 O ILE A 47 -7.850 -6.022 0.934 1.00 0.00 O ATOM 453 CB ILE A 47 -5.622 -3.929 1.765 1.00 0.00 C ATOM 454 CG1 ILE A 47 -4.422 -3.806 2.707 1.00 0.00 C ATOM 455 CG2 ILE A 47 -5.998 -2.574 1.185 1.00 0.00 C ATOM 456 CD1 ILE A 47 -3.452 -4.964 2.604 1.00 0.00 C ATOM 0 H ILE A 47 -6.199 -6.522 2.801 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.241 -3.796 3.189 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.339 -4.590 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.893 -2.878 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.782 -3.734 3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.139 -2.150 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.824 -2.695 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.300 -1.905 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.627 -4.810 3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.966 -5.893 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.063 -5.024 1.587 1.00 0.00 H new ATOM 468 N MET A 48 -8.805 -4.010 1.209 1.00 0.00 N ATOM 469 CA MET A 48 -9.861 -4.282 0.236 1.00 0.00 C ATOM 470 C MET A 48 -9.895 -3.210 -0.850 1.00 0.00 C ATOM 471 O MET A 48 -9.916 -2.002 -0.524 1.00 0.00 O ATOM 472 CB MET A 48 -11.220 -4.340 0.934 1.00 0.00 C ATOM 473 CG MET A 48 -12.297 -5.028 0.111 1.00 0.00 C ATOM 474 SD MET A 48 -13.935 -4.326 0.386 1.00 0.00 S ATOM 475 CE MET A 48 -14.578 -4.300 -1.285 1.00 0.00 C ATOM 0 H MET A 48 -8.851 -3.089 1.644 1.00 0.00 H new ATOM 0 HA MET A 48 -9.648 -5.244 -0.229 1.00 0.00 H new ATOM 0 HB2 MET A 48 -11.110 -4.864 1.883 1.00 0.00 H new ATOM 0 HB3 MET A 48 -11.544 -3.325 1.166 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.046 -4.951 -0.947 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.315 -6.090 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 48 -15.479 -3.688 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.829 -3.880 -1.957 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.817 -5.316 -1.599 1.00 0.00 H new ATOM 485 N THR A 49 -9.904 -3.647 -2.140 1.00 0.00 N ATOM 486 CA THR A 49 -9.946 -2.715 -3.247 1.00 0.00 C ATOM 487 C THR A 49 -10.974 -3.150 -4.320 1.00 0.00 C ATOM 488 O THR A 49 -12.178 -3.134 -4.059 1.00 0.00 O ATOM 489 CB THR A 49 -8.539 -2.544 -3.827 1.00 0.00 C ATOM 490 OG1 THR A 49 -7.865 -3.788 -3.896 1.00 0.00 O ATOM 491 CG2 THR A 49 -7.673 -1.616 -3.005 1.00 0.00 C ATOM 0 H THR A 49 -9.883 -4.630 -2.412 1.00 0.00 H new ATOM 0 HA THR A 49 -10.284 -1.746 -2.881 1.00 0.00 H new ATOM 0 HB THR A 49 -8.686 -2.117 -4.819 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.964 -3.652 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.688 -1.534 -3.465 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.136 -0.630 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.570 -2.014 -1.995 1.00 0.00 H new ATOM 499 N GLU A 50 -10.513 -3.495 -5.531 1.00 0.00 N ATOM 500 CA GLU A 50 -11.416 -3.877 -6.630 1.00 0.00 C ATOM 501 C GLU A 50 -12.209 -5.159 -6.348 1.00 0.00 C ATOM 502 O GLU A 50 -13.324 -5.097 -5.829 1.00 0.00 O ATOM 503 CB GLU A 50 -10.641 -4.022 -7.949 1.00 0.00 C ATOM 504 CG GLU A 50 -11.193 -3.161 -9.075 1.00 0.00 C ATOM 505 CD GLU A 50 -11.977 -3.965 -10.093 1.00 0.00 C ATOM 506 OE1 GLU A 50 -11.343 -4.642 -10.930 1.00 0.00 O ATOM 507 OE2 GLU A 50 -13.224 -3.917 -10.055 1.00 0.00 O ATOM 0 H GLU A 50 -9.523 -3.518 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.141 -3.067 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.597 -3.758 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.659 -5.067 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.836 -2.388 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.369 -2.652 -9.576 1.00 0.00 H new ATOM 514 N LYS A 51 -11.652 -6.314 -6.725 1.00 0.00 N ATOM 515 CA LYS A 51 -12.340 -7.592 -6.541 1.00 0.00 C ATOM 516 C LYS A 51 -12.984 -7.693 -5.166 1.00 0.00 C ATOM 517 O LYS A 51 -14.196 -7.886 -5.057 1.00 0.00 O ATOM 518 CB LYS A 51 -11.385 -8.767 -6.762 1.00 0.00 C ATOM 519 CG LYS A 51 -12.061 -9.988 -7.363 1.00 0.00 C ATOM 520 CD LYS A 51 -11.711 -11.257 -6.602 1.00 0.00 C ATOM 521 CE LYS A 51 -12.203 -12.495 -7.331 1.00 0.00 C ATOM 522 NZ LYS A 51 -13.586 -12.869 -6.921 1.00 0.00 N ATOM 0 H LYS A 51 -10.731 -6.389 -7.157 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.132 -7.638 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.575 -8.449 -7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.933 -9.043 -5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.142 -9.846 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.760 -10.094 -8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.631 -11.317 -6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.153 -11.220 -5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.179 -12.317 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.528 -13.327 -7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.885 -13.719 -7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.605 -13.064 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.236 -12.086 -7.136 1.00 0.00 H new ATOM 536 N GLY A 52 -12.182 -7.561 -4.117 1.00 0.00 N ATOM 537 CA GLY A 52 -12.728 -7.642 -2.780 1.00 0.00 C ATOM 538 C GLY A 52 -11.690 -7.492 -1.688 1.00 0.00 C ATOM 539 O GLY A 52 -10.834 -6.597 -1.739 1.00 0.00 O ATOM 0 H GLY A 52 -11.176 -7.401 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.485 -6.867 -2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.232 -8.601 -2.661 1.00 0.00 H new ATOM 543 N LEU A 53 -11.798 -8.361 -0.684 1.00 0.00 N ATOM 544 CA LEU A 53 -10.906 -8.343 0.466 1.00 0.00 C ATOM 545 C LEU A 53 -9.850 -9.445 0.396 1.00 0.00 C ATOM 546 O LEU A 53 -10.169 -10.624 0.242 1.00 0.00 O ATOM 547 CB LEU A 53 -11.727 -8.499 1.747 1.00 0.00 C ATOM 548 CG LEU A 53 -11.590 -7.349 2.745 1.00 0.00 C ATOM 549 CD1 LEU A 53 -12.917 -6.622 2.923 1.00 0.00 C ATOM 550 CD2 LEU A 53 -11.077 -7.864 4.081 1.00 0.00 C ATOM 0 H LEU A 53 -12.506 -9.094 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.382 -7.387 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.778 -8.603 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.431 -9.425 2.240 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.867 -6.637 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.793 -5.808 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.241 -6.217 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.667 -7.320 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.985 -7.033 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.776 -8.599 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.102 -8.330 3.941 1.00 0.00 H new ATOM 562 N LYS A 54 -8.594 -9.041 0.542 1.00 0.00 N ATOM 563 CA LYS A 54 -7.469 -9.959 0.530 1.00 0.00 C ATOM 564 C LYS A 54 -6.598 -9.726 1.766 1.00 0.00 C ATOM 565 O LYS A 54 -6.355 -8.582 2.156 1.00 0.00 O ATOM 566 CB LYS A 54 -6.641 -9.780 -0.744 1.00 0.00 C ATOM 567 CG LYS A 54 -6.815 -10.909 -1.746 1.00 0.00 C ATOM 568 CD LYS A 54 -8.209 -10.910 -2.353 1.00 0.00 C ATOM 569 CE LYS A 54 -8.577 -12.277 -2.905 1.00 0.00 C ATOM 570 NZ LYS A 54 -9.610 -12.184 -3.974 1.00 0.00 N ATOM 0 H LYS A 54 -8.330 -8.065 0.672 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.849 -10.980 0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.918 -8.839 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.588 -9.703 -0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.073 -10.810 -2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.631 -11.864 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.936 -10.614 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.260 -10.169 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.685 -12.760 -3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.947 -12.908 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.834 -13.137 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.471 -11.746 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.248 -11.603 -4.757 1.00 0.00 H new ATOM 584 N VAL A 55 -6.142 -10.812 2.390 1.00 0.00 N ATOM 585 CA VAL A 55 -5.316 -10.707 3.590 1.00 0.00 C ATOM 586 C VAL A 55 -3.930 -11.308 3.387 1.00 0.00 C ATOM 587 O VAL A 55 -3.791 -12.461 2.981 1.00 0.00 O ATOM 588 CB VAL A 55 -5.977 -11.399 4.794 1.00 0.00 C ATOM 589 CG1 VAL A 55 -7.280 -10.709 5.164 1.00 0.00 C ATOM 590 CG2 VAL A 55 -6.211 -12.875 4.502 1.00 0.00 C ATOM 0 H VAL A 55 -6.329 -11.768 2.086 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.216 -9.640 3.790 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.301 -11.323 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.730 -11.215 6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.080 -9.669 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.965 -10.747 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.679 -13.347 5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.864 -12.975 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.257 -13.361 4.296 1.00 0.00 H new ATOM 600 N VAL A 56 -2.908 -10.516 3.696 1.00 0.00 N ATOM 601 CA VAL A 56 -1.523 -10.957 3.572 1.00 0.00 C ATOM 602 C VAL A 56 -0.689 -10.454 4.751 1.00 0.00 C ATOM 603 O VAL A 56 -1.124 -9.578 5.503 1.00 0.00 O ATOM 604 CB VAL A 56 -0.884 -10.466 2.256 1.00 0.00 C ATOM 605 CG1 VAL A 56 0.325 -11.318 1.899 1.00 0.00 C ATOM 606 CG2 VAL A 56 -1.901 -10.480 1.122 1.00 0.00 C ATOM 0 H VAL A 56 -3.014 -9.560 4.036 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.535 -12.047 3.568 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.551 -9.438 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.762 -10.957 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.065 -11.253 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.015 -12.356 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.428 -10.130 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.269 -11.496 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.735 -9.825 1.373 1.00 0.00 H new ATOM 679 N ARG A 61 2.008 -9.788 -3.100 1.00 0.00 N ATOM 680 CA ARG A 61 1.445 -8.678 -3.860 1.00 0.00 C ATOM 681 C ARG A 61 2.184 -7.382 -3.558 1.00 0.00 C ATOM 682 O ARG A 61 3.168 -7.381 -2.816 1.00 0.00 O ATOM 683 CB ARG A 61 -0.040 -8.530 -3.537 1.00 0.00 C ATOM 684 CG ARG A 61 -0.865 -9.753 -3.900 1.00 0.00 C ATOM 685 CD ARG A 61 -0.643 -10.896 -2.921 1.00 0.00 C ATOM 686 NE ARG A 61 0.362 -11.845 -3.398 1.00 0.00 N ATOM 687 CZ ARG A 61 0.253 -12.540 -4.528 1.00 0.00 C ATOM 688 NH1 ARG A 61 -0.828 -12.425 -5.288 1.00 0.00 N ATOM 689 NH2 ARG A 61 1.227 -13.364 -4.894 1.00 0.00 N ATOM 0 HA ARG A 61 1.560 -8.892 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.153 -8.328 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.435 -7.664 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.922 -9.487 -3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.605 -10.081 -4.906 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.330 -10.492 -1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.585 -11.419 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 61 1.198 -11.983 -2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.584 -11.800 -5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.903 -12.961 -6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.057 -13.464 -4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.145 -13.897 -5.760 1.00 0.00 H new ATOM 703 N THR A 62 1.706 -6.272 -4.117 1.00 0.00 N ATOM 704 CA THR A 62 2.341 -4.982 -3.876 1.00 0.00 C ATOM 705 C THR A 62 1.335 -3.987 -3.319 1.00 0.00 C ATOM 706 O THR A 62 0.314 -3.705 -3.948 1.00 0.00 O ATOM 707 CB THR A 62 2.937 -4.440 -5.177 1.00 0.00 C ATOM 708 OG1 THR A 62 3.873 -5.356 -5.718 1.00 0.00 O ATOM 709 CG2 THR A 62 3.638 -3.109 -5.007 1.00 0.00 C ATOM 0 H THR A 62 0.892 -6.241 -4.731 1.00 0.00 H new ATOM 0 HA THR A 62 3.138 -5.121 -3.145 1.00 0.00 H new ATOM 0 HB THR A 62 2.089 -4.300 -5.848 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.242 -4.993 -6.550 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.037 -2.783 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.928 -2.368 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.454 -3.216 -4.293 1.00 0.00 H new ATOM 717 N PHE A 63 1.630 -3.430 -2.153 1.00 0.00 N ATOM 718 CA PHE A 63 0.735 -2.456 -1.546 1.00 0.00 C ATOM 719 C PHE A 63 1.512 -1.229 -1.037 1.00 0.00 C ATOM 720 O PHE A 63 2.647 -1.346 -0.572 1.00 0.00 O ATOM 721 CB PHE A 63 -0.032 -3.097 -0.386 1.00 0.00 C ATOM 722 CG PHE A 63 0.821 -3.954 0.504 1.00 0.00 C ATOM 723 CD1 PHE A 63 1.302 -5.176 0.063 1.00 0.00 C ATOM 724 CD2 PHE A 63 1.141 -3.538 1.787 1.00 0.00 C ATOM 725 CE1 PHE A 63 2.084 -5.967 0.881 1.00 0.00 C ATOM 726 CE2 PHE A 63 1.924 -4.325 2.611 1.00 0.00 C ATOM 727 CZ PHE A 63 2.396 -5.540 2.157 1.00 0.00 C ATOM 0 H PHE A 63 2.472 -3.633 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 63 0.031 -2.125 -2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.490 -2.310 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.843 -3.703 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.062 -5.515 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.774 -2.588 2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.451 -6.918 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.166 -3.990 3.609 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.009 -6.156 2.799 1.00 0.00 H new ATOM 737 N ARG A 64 0.884 -0.058 -1.093 1.00 0.00 N ATOM 738 CA ARG A 64 1.498 1.174 -0.593 1.00 0.00 C ATOM 739 C ARG A 64 0.563 1.787 0.447 1.00 0.00 C ATOM 740 O ARG A 64 -0.598 2.057 0.151 1.00 0.00 O ATOM 741 CB ARG A 64 1.743 2.159 -1.738 1.00 0.00 C ATOM 742 CG ARG A 64 3.004 2.990 -1.568 1.00 0.00 C ATOM 743 CD ARG A 64 2.778 4.157 -0.620 1.00 0.00 C ATOM 744 NE ARG A 64 4.031 4.811 -0.249 1.00 0.00 N ATOM 745 CZ ARG A 64 4.742 5.575 -1.076 1.00 0.00 C ATOM 746 NH1 ARG A 64 4.325 5.785 -2.318 1.00 0.00 N ATOM 747 NH2 ARG A 64 5.871 6.130 -0.659 1.00 0.00 N ATOM 0 H ARG A 64 -0.052 0.067 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 64 2.463 0.948 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.807 1.605 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.886 2.827 -1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.808 2.360 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.327 3.366 -2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.115 4.883 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.274 3.802 0.279 1.00 0.00 H new ATOM 0 HE ARG A 64 4.382 4.674 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.456 5.360 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.873 6.371 -2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.195 5.972 0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.416 6.715 -1.292 1.00 0.00 H new ATOM 761 N VAL A 65 1.058 1.992 1.664 1.00 0.00 N ATOM 762 CA VAL A 65 0.226 2.529 2.739 1.00 0.00 C ATOM 763 C VAL A 65 0.390 4.029 2.947 1.00 0.00 C ATOM 764 O VAL A 65 1.495 4.529 3.148 1.00 0.00 O ATOM 765 CB VAL A 65 0.512 1.807 4.072 1.00 0.00 C ATOM 766 CG1 VAL A 65 1.928 2.094 4.551 1.00 0.00 C ATOM 767 CG2 VAL A 65 -0.510 2.208 5.127 1.00 0.00 C ATOM 0 H VAL A 65 2.023 1.797 1.931 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.802 2.351 2.423 1.00 0.00 H new ATOM 0 HB VAL A 65 0.426 0.733 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.106 1.574 5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.642 1.747 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.051 3.167 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.292 1.689 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.461 3.285 5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.510 1.938 4.786 1.00 0.00 H new ATOM 777 N TRP A 66 -0.733 4.726 2.920 1.00 0.00 N ATOM 778 CA TRP A 66 -0.772 6.163 3.118 1.00 0.00 C ATOM 779 C TRP A 66 -1.759 6.544 4.243 1.00 0.00 C ATOM 780 O TRP A 66 -2.941 6.169 4.237 1.00 0.00 O ATOM 781 CB TRP A 66 -1.099 6.844 1.777 1.00 0.00 C ATOM 782 CG TRP A 66 -2.404 7.586 1.701 1.00 0.00 C ATOM 783 CD1 TRP A 66 -2.662 8.836 2.184 1.00 0.00 C ATOM 784 CD2 TRP A 66 -3.616 7.140 1.068 1.00 0.00 C ATOM 785 NE1 TRP A 66 -3.954 9.199 1.890 1.00 0.00 N ATOM 786 CE2 TRP A 66 -4.559 8.177 1.206 1.00 0.00 C ATOM 787 CE3 TRP A 66 -3.999 5.968 0.396 1.00 0.00 C ATOM 788 CZ2 TRP A 66 -5.853 8.080 0.696 1.00 0.00 C ATOM 789 CZ3 TRP A 66 -5.280 5.877 -0.104 1.00 0.00 C ATOM 790 CH2 TRP A 66 -6.194 6.926 0.045 1.00 0.00 C ATOM 0 H TRP A 66 -1.649 4.307 2.759 1.00 0.00 H new ATOM 0 HA TRP A 66 0.204 6.519 3.448 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.295 7.543 1.545 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -1.094 6.082 0.998 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.954 9.451 2.720 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.392 10.086 2.140 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.302 5.152 0.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -6.561 8.887 0.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -5.584 4.979 -0.621 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -7.189 6.823 -0.362 1.00 0.00 H new ATOM 801 N TYR A 67 -1.245 7.283 5.224 1.00 0.00 N ATOM 802 CA TYR A 67 -2.059 7.709 6.356 1.00 0.00 C ATOM 803 C TYR A 67 -1.870 9.194 6.632 1.00 0.00 C ATOM 804 O TYR A 67 -0.976 9.829 6.073 1.00 0.00 O ATOM 805 CB TYR A 67 -1.711 6.897 7.607 1.00 0.00 C ATOM 806 CG TYR A 67 -0.230 6.639 7.780 1.00 0.00 C ATOM 807 CD1 TYR A 67 0.422 5.685 7.006 1.00 0.00 C ATOM 808 CD2 TYR A 67 0.513 7.345 8.716 1.00 0.00 C ATOM 809 CE1 TYR A 67 1.773 5.443 7.164 1.00 0.00 C ATOM 810 CE2 TYR A 67 1.866 7.108 8.879 1.00 0.00 C ATOM 811 CZ TYR A 67 2.490 6.157 8.100 1.00 0.00 C ATOM 812 OH TYR A 67 3.836 5.919 8.260 1.00 0.00 O ATOM 0 H TYR A 67 -0.275 7.597 5.257 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.104 7.533 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.083 7.425 8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.233 5.941 7.565 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.136 5.125 6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.027 8.091 9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.265 4.698 6.557 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.430 7.665 9.612 1.00 0.00 H new ATOM 0 HH TYR A 67 4.220 5.626 7.407 1.00 0.00 H new ATOM 822 N LYS A 68 -2.713 9.743 7.499 1.00 0.00 N ATOM 823 CA LYS A 68 -2.630 11.156 7.850 1.00 0.00 C ATOM 824 C LYS A 68 -1.401 11.418 8.716 1.00 0.00 C ATOM 825 O LYS A 68 -1.516 11.851 9.864 1.00 0.00 O ATOM 826 CB LYS A 68 -3.899 11.597 8.585 1.00 0.00 C ATOM 827 CG LYS A 68 -4.941 12.227 7.675 1.00 0.00 C ATOM 828 CD LYS A 68 -5.710 13.327 8.389 1.00 0.00 C ATOM 829 CE LYS A 68 -6.511 14.171 7.409 1.00 0.00 C ATOM 830 NZ LYS A 68 -7.244 15.272 8.094 1.00 0.00 N ATOM 0 H LYS A 68 -3.460 9.233 7.971 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.539 11.736 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.339 10.733 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.629 12.311 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.453 12.637 6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.635 11.461 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.382 12.885 9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.014 13.964 8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.840 14.592 6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.222 13.536 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.777 15.824 7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.903 14.870 8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.564 15.893 8.578 1.00 0.00 H new ATOM 844 N GLY A 69 -0.224 11.148 8.159 1.00 0.00 N ATOM 845 CA GLY A 69 1.006 11.355 8.894 1.00 0.00 C ATOM 846 C GLY A 69 2.237 11.004 8.083 1.00 0.00 C ATOM 847 O GLY A 69 3.219 11.746 8.090 1.00 0.00 O ATOM 0 H GLY A 69 -0.103 10.790 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.067 12.397 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.989 10.751 9.801 1.00 0.00 H new ATOM 851 N LYS A 70 2.196 9.871 7.383 1.00 0.00 N ATOM 852 CA LYS A 70 3.334 9.442 6.577 1.00 0.00 C ATOM 853 C LYS A 70 2.945 8.384 5.544 1.00 0.00 C ATOM 854 O LYS A 70 1.884 7.745 5.639 1.00 0.00 O ATOM 855 CB LYS A 70 4.440 8.895 7.481 1.00 0.00 C ATOM 856 CG LYS A 70 5.367 9.968 8.030 1.00 0.00 C ATOM 857 CD LYS A 70 5.136 10.201 9.516 1.00 0.00 C ATOM 858 CE LYS A 70 5.482 8.968 10.335 1.00 0.00 C ATOM 859 NZ LYS A 70 4.449 8.680 11.370 1.00 0.00 N ATOM 0 H LYS A 70 1.395 9.240 7.358 1.00 0.00 H new ATOM 0 HA LYS A 70 3.694 10.317 6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.985 8.360 8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.030 8.170 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.403 9.674 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.209 10.899 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.741 11.043 9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.093 10.470 9.685 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.581 8.108 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.449 9.112 10.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.630 7.746 11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.489 9.408 12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.506 8.685 10.930 1.00 0.00 H new ATOM 873 N ILE A 71 3.831 8.202 4.561 1.00 0.00 N ATOM 874 CA ILE A 71 3.628 7.225 3.498 1.00 0.00 C ATOM 875 C ILE A 71 4.831 6.279 3.377 1.00 0.00 C ATOM 876 O ILE A 71 5.973 6.716 3.257 1.00 0.00 O ATOM 877 CB ILE A 71 3.391 7.913 2.140 1.00 0.00 C ATOM 878 CG1 ILE A 71 4.444 8.999 1.902 1.00 0.00 C ATOM 879 CG2 ILE A 71 1.992 8.505 2.084 1.00 0.00 C ATOM 880 CD1 ILE A 71 4.591 9.390 0.447 1.00 0.00 C ATOM 0 H ILE A 71 4.703 8.726 4.483 1.00 0.00 H new ATOM 0 HA ILE A 71 2.742 6.648 3.764 1.00 0.00 H new ATOM 0 HB ILE A 71 3.481 7.166 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.180 9.883 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.406 8.648 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.840 8.988 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.256 7.712 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.876 9.241 2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.354 10.163 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.885 8.517 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.640 9.771 0.075 1.00 0.00 H new ATOM 892 N MET A 72 4.558 4.978 3.402 1.00 0.00 N ATOM 893 CA MET A 72 5.599 3.960 3.283 1.00 0.00 C ATOM 894 C MET A 72 5.205 2.923 2.230 1.00 0.00 C ATOM 895 O MET A 72 4.028 2.600 2.083 1.00 0.00 O ATOM 896 CB MET A 72 5.830 3.273 4.631 1.00 0.00 C ATOM 897 CG MET A 72 6.637 4.109 5.610 1.00 0.00 C ATOM 898 SD MET A 72 8.291 4.489 5.003 1.00 0.00 S ATOM 899 CE MET A 72 8.733 5.861 6.063 1.00 0.00 C ATOM 0 H MET A 72 3.616 4.601 3.505 1.00 0.00 H new ATOM 0 HA MET A 72 6.524 4.446 2.974 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.865 3.036 5.078 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.345 2.327 4.464 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.106 5.039 5.811 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.716 3.576 6.558 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.734 6.209 5.809 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.020 6.673 5.923 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.714 5.537 7.104 1.00 0.00 H new ATOM 909 N ARG A 73 6.182 2.413 1.490 1.00 0.00 N ATOM 910 CA ARG A 73 5.907 1.424 0.449 1.00 0.00 C ATOM 911 C ARG A 73 6.331 0.024 0.883 1.00 0.00 C ATOM 912 O ARG A 73 7.481 -0.195 1.263 1.00 0.00 O ATOM 913 CB ARG A 73 6.622 1.806 -0.847 1.00 0.00 C ATOM 914 CG ARG A 73 8.104 2.092 -0.664 1.00 0.00 C ATOM 915 CD ARG A 73 8.835 2.147 -1.998 1.00 0.00 C ATOM 916 NE ARG A 73 8.072 2.869 -3.014 1.00 0.00 N ATOM 917 CZ ARG A 73 7.232 2.288 -3.871 1.00 0.00 C ATOM 918 NH1 ARG A 73 7.034 0.976 -3.836 1.00 0.00 N ATOM 919 NH2 ARG A 73 6.586 3.025 -4.763 1.00 0.00 N ATOM 0 H ARG A 73 7.166 2.664 1.588 1.00 0.00 H new ATOM 0 HA ARG A 73 4.831 1.414 0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.503 0.998 -1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.140 2.687 -1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.230 3.040 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.549 1.320 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.803 2.630 -1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.031 1.133 -2.345 1.00 0.00 H new ATOM 0 HE ARG A 73 8.189 3.881 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.526 0.404 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.390 0.540 -4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.732 4.034 -4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.943 2.583 -5.420 1.00 0.00 H new ATOM 933 N ILE A 74 5.399 -0.924 0.809 1.00 0.00 N ATOM 934 CA ILE A 74 5.683 -2.304 1.186 1.00 0.00 C ATOM 935 C ILE A 74 5.359 -3.260 0.041 1.00 0.00 C ATOM 936 O ILE A 74 4.240 -3.277 -0.471 1.00 0.00 O ATOM 937 CB ILE A 74 4.883 -2.723 2.434 1.00 0.00 C ATOM 938 CG1 ILE A 74 5.045 -1.684 3.544 1.00 0.00 C ATOM 939 CG2 ILE A 74 5.331 -4.096 2.914 1.00 0.00 C ATOM 940 CD1 ILE A 74 4.002 -1.799 4.634 1.00 0.00 C ATOM 0 H ILE A 74 4.443 -0.761 0.492 1.00 0.00 H new ATOM 0 HA ILE A 74 6.747 -2.359 1.414 1.00 0.00 H new ATOM 0 HB ILE A 74 3.827 -2.780 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.035 -1.788 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.995 -0.686 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.757 -4.378 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.167 -4.829 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.391 -4.065 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.177 -1.032 5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.010 -1.665 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.066 -2.784 5.097 1.00 0.00 H new ATOM 952 N LYS A 75 6.345 -4.057 -0.356 1.00 0.00 N ATOM 953 CA LYS A 75 6.159 -5.015 -1.440 1.00 0.00 C ATOM 954 C LYS A 75 6.674 -6.396 -1.044 1.00 0.00 C ATOM 955 O LYS A 75 7.642 -6.517 -0.294 1.00 0.00 O ATOM 956 CB LYS A 75 6.878 -4.532 -2.702 1.00 0.00 C ATOM 957 CG LYS A 75 8.383 -4.394 -2.531 1.00 0.00 C ATOM 958 CD LYS A 75 9.078 -4.196 -3.867 1.00 0.00 C ATOM 959 CE LYS A 75 10.504 -3.700 -3.684 1.00 0.00 C ATOM 960 NZ LYS A 75 10.545 -2.287 -3.220 1.00 0.00 N ATOM 0 H LYS A 75 7.279 -4.059 0.055 1.00 0.00 H new ATOM 0 HA LYS A 75 5.091 -5.092 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.676 -5.230 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.465 -3.568 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.600 -3.549 -1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.778 -5.285 -2.042 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.087 -5.137 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.517 -3.480 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.019 -4.334 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.043 -3.788 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.504 -1.907 -3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.871 -1.720 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.288 -2.245 -2.213 1.00 0.00 H new