USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 279 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 54 MET CE :methyl 149:sc= -1.02 (180deg=-3.85!) USER MOD Single : A 60 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.8!) USER MOD Single : A 65 LYS NZ :NH3+ 135:sc= 0.769 (180deg=-0.228!) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= 1 (180deg=0.918) USER MOD Single : A 79 THR OG1 : rot -55:sc= -2.84! USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0.231 K(o=0.23,f=-11!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0.0288 (180deg=0.0288) USER MOD ----------------------------------------------------------------- ATOM 48 N VAL A 52 7.619 -2.646 -6.392 1.00 1.27 N ATOM 49 CA VAL A 52 7.888 -2.511 -4.921 1.00 1.07 C ATOM 50 C VAL A 52 7.910 -3.901 -4.260 1.00 0.87 C ATOM 51 O VAL A 52 7.374 -4.854 -4.802 1.00 0.81 O ATOM 52 CB VAL A 52 6.782 -1.667 -4.266 1.00 1.21 C ATOM 53 CG1 VAL A 52 6.742 -0.278 -4.901 1.00 1.83 C ATOM 54 CG2 VAL A 52 5.422 -2.349 -4.458 1.00 1.44 C ATOM 0 HA VAL A 52 8.854 -2.026 -4.785 1.00 1.07 H new ATOM 0 HB VAL A 52 6.995 -1.574 -3.201 1.00 1.21 H new ATOM 0 HG11 VAL A 52 5.956 0.314 -4.432 1.00 1.83 H new ATOM 0 HG12 VAL A 52 7.703 0.216 -4.757 1.00 1.83 H new ATOM 0 HG13 VAL A 52 6.538 -0.371 -5.968 1.00 1.83 H new ATOM 0 HG21 VAL A 52 4.643 -1.746 -3.991 1.00 1.44 H new ATOM 0 HG22 VAL A 52 5.213 -2.451 -5.523 1.00 1.44 H new ATOM 0 HG23 VAL A 52 5.442 -3.336 -3.996 1.00 1.44 H new ATOM 64 N PRO A 53 8.518 -3.969 -3.094 1.00 0.82 N ATOM 65 CA PRO A 53 8.621 -5.222 -2.303 1.00 0.70 C ATOM 66 C PRO A 53 7.217 -5.725 -1.938 1.00 0.58 C ATOM 67 O PRO A 53 6.267 -4.964 -1.883 1.00 0.86 O ATOM 68 CB PRO A 53 9.404 -4.859 -1.035 1.00 0.77 C ATOM 69 CG PRO A 53 9.751 -3.358 -1.115 1.00 0.92 C ATOM 70 CD PRO A 53 9.172 -2.816 -2.427 1.00 0.95 C ATOM 0 HA PRO A 53 9.119 -6.014 -2.863 1.00 0.70 H new ATOM 0 HB2 PRO A 53 8.810 -5.068 -0.145 1.00 0.77 H new ATOM 0 HB3 PRO A 53 10.311 -5.458 -0.960 1.00 0.77 H new ATOM 0 HG2 PRO A 53 9.333 -2.823 -0.262 1.00 0.92 H new ATOM 0 HG3 PRO A 53 10.831 -3.213 -1.084 1.00 0.92 H new ATOM 0 HD2 PRO A 53 8.455 -2.018 -2.236 1.00 0.95 H new ATOM 0 HD3 PRO A 53 9.957 -2.396 -3.056 1.00 0.95 H new ATOM 78 N MET A 54 7.071 -7.000 -1.684 1.00 0.55 N ATOM 79 CA MET A 54 5.722 -7.537 -1.321 1.00 0.55 C ATOM 80 C MET A 54 5.414 -7.208 0.147 1.00 0.50 C ATOM 81 O MET A 54 6.211 -7.466 1.030 1.00 0.70 O ATOM 82 CB MET A 54 5.690 -9.056 -1.528 1.00 0.79 C ATOM 83 CG MET A 54 4.806 -9.391 -2.734 1.00 1.38 C ATOM 84 SD MET A 54 3.250 -10.112 -2.162 1.00 1.55 S ATOM 85 CE MET A 54 2.183 -9.359 -3.415 1.00 1.49 C ATOM 0 H MET A 54 7.822 -7.690 -1.711 1.00 0.55 H new ATOM 0 HA MET A 54 4.970 -7.075 -1.961 1.00 0.55 H new ATOM 0 HB2 MET A 54 6.700 -9.433 -1.689 1.00 0.79 H new ATOM 0 HB3 MET A 54 5.305 -9.547 -0.634 1.00 0.79 H new ATOM 0 HG2 MET A 54 4.609 -8.490 -3.315 1.00 1.38 H new ATOM 0 HG3 MET A 54 5.322 -10.089 -3.393 1.00 1.38 H new ATOM 0 HE1 MET A 54 1.346 -10.024 -3.627 1.00 1.49 H new ATOM 0 HE2 MET A 54 1.805 -8.406 -3.046 1.00 1.49 H new ATOM 0 HE3 MET A 54 2.755 -9.193 -4.328 1.00 1.49 H new ATOM 95 N CYS A 55 4.261 -6.641 0.405 1.00 0.45 N ATOM 96 CA CYS A 55 3.877 -6.292 1.809 1.00 0.58 C ATOM 97 C CYS A 55 3.101 -7.453 2.447 1.00 0.60 C ATOM 98 O CYS A 55 2.796 -8.440 1.801 1.00 1.19 O ATOM 99 CB CYS A 55 2.998 -5.040 1.800 1.00 0.78 C ATOM 100 SG CYS A 55 3.813 -3.733 2.748 1.00 1.09 S ATOM 0 H CYS A 55 3.565 -6.403 -0.301 1.00 0.45 H new ATOM 0 HA CYS A 55 4.781 -6.104 2.389 1.00 0.58 H new ATOM 0 HB2 CYS A 55 2.826 -4.709 0.776 1.00 0.78 H new ATOM 0 HB3 CYS A 55 2.022 -5.263 2.231 1.00 0.78 H new ATOM 105 N ASP A 56 2.767 -7.333 3.709 1.00 0.57 N ATOM 106 CA ASP A 56 1.999 -8.419 4.390 1.00 0.53 C ATOM 107 C ASP A 56 0.503 -8.057 4.439 1.00 0.49 C ATOM 108 O ASP A 56 0.074 -7.030 3.928 1.00 0.52 O ATOM 109 CB ASP A 56 2.537 -8.614 5.815 1.00 0.61 C ATOM 110 CG ASP A 56 2.483 -10.099 6.187 1.00 1.16 C ATOM 111 OD1 ASP A 56 1.384 -10.623 6.303 1.00 1.73 O ATOM 112 OD2 ASP A 56 3.539 -10.686 6.348 1.00 1.69 O ATOM 0 H ASP A 56 2.993 -6.530 4.296 1.00 0.57 H new ATOM 0 HA ASP A 56 2.118 -9.347 3.830 1.00 0.53 H new ATOM 0 HB2 ASP A 56 3.562 -8.250 5.880 1.00 0.61 H new ATOM 0 HB3 ASP A 56 1.946 -8.030 6.521 1.00 0.61 H new ATOM 117 N ALA A 57 -0.292 -8.902 5.049 1.00 0.52 N ATOM 118 CA ALA A 57 -1.758 -8.637 5.139 1.00 0.57 C ATOM 119 C ALA A 57 -2.028 -7.525 6.164 1.00 0.59 C ATOM 120 O ALA A 57 -1.499 -7.529 7.261 1.00 1.25 O ATOM 121 CB ALA A 57 -2.475 -9.920 5.567 1.00 0.71 C ATOM 0 H ALA A 57 0.016 -9.769 5.490 1.00 0.52 H new ATOM 0 HA ALA A 57 -2.129 -8.317 4.166 1.00 0.57 H new ATOM 0 HB1 ALA A 57 -3.547 -9.733 5.635 1.00 0.71 H new ATOM 0 HB2 ALA A 57 -2.289 -10.703 4.832 1.00 0.71 H new ATOM 0 HB3 ALA A 57 -2.100 -10.239 6.540 1.00 0.71 H new ATOM 127 N GLY A 58 -2.861 -6.574 5.810 1.00 0.59 N ATOM 128 CA GLY A 58 -3.192 -5.456 6.750 1.00 0.62 C ATOM 129 C GLY A 58 -1.981 -4.537 6.964 1.00 0.58 C ATOM 130 O GLY A 58 -1.875 -3.880 7.990 1.00 1.09 O ATOM 0 H GLY A 58 -3.328 -6.525 4.905 1.00 0.59 H new ATOM 0 HA2 GLY A 58 -4.026 -4.877 6.352 1.00 0.62 H new ATOM 0 HA3 GLY A 58 -3.516 -5.865 7.707 1.00 0.62 H new ATOM 134 N GLU A 59 -1.071 -4.463 6.017 1.00 0.51 N ATOM 135 CA GLU A 59 0.113 -3.564 6.196 1.00 0.42 C ATOM 136 C GLU A 59 0.098 -2.421 5.164 1.00 0.36 C ATOM 137 O GLU A 59 -0.482 -2.533 4.098 1.00 0.45 O ATOM 138 CB GLU A 59 1.415 -4.361 6.081 1.00 0.44 C ATOM 139 CG GLU A 59 2.572 -3.539 6.686 1.00 0.77 C ATOM 140 CD GLU A 59 2.128 -2.865 7.994 1.00 1.06 C ATOM 141 OE1 GLU A 59 1.573 -1.770 7.928 1.00 1.53 O ATOM 142 OE2 GLU A 59 2.330 -3.451 9.038 1.00 1.87 O ATOM 0 H GLU A 59 -1.098 -4.981 5.139 1.00 0.51 H new ATOM 0 HA GLU A 59 0.055 -3.127 7.193 1.00 0.42 H new ATOM 0 HB2 GLU A 59 1.319 -5.313 6.602 1.00 0.44 H new ATOM 0 HB3 GLU A 59 1.624 -4.589 5.036 1.00 0.44 H new ATOM 0 HG2 GLU A 59 3.426 -4.189 6.877 1.00 0.77 H new ATOM 0 HG3 GLU A 59 2.900 -2.782 5.973 1.00 0.77 H new ATOM 149 N GLN A 60 0.720 -1.313 5.499 1.00 0.36 N ATOM 150 CA GLN A 60 0.753 -0.119 4.590 1.00 0.37 C ATOM 151 C GLN A 60 1.426 -0.469 3.255 1.00 0.34 C ATOM 152 O GLN A 60 2.586 -0.828 3.207 1.00 0.38 O ATOM 153 CB GLN A 60 1.529 1.012 5.278 1.00 0.43 C ATOM 154 CG GLN A 60 1.483 2.281 4.412 1.00 0.53 C ATOM 155 CD GLN A 60 0.979 3.473 5.233 1.00 0.81 C ATOM 156 OE1 GLN A 60 1.093 3.494 6.439 1.00 1.43 O ATOM 157 NE2 GLN A 60 0.430 4.480 4.620 1.00 0.95 N ATOM 0 H GLN A 60 1.216 -1.184 6.381 1.00 0.36 H new ATOM 0 HA GLN A 60 -0.269 0.199 4.385 1.00 0.37 H new ATOM 0 HB2 GLN A 60 1.099 1.215 6.259 1.00 0.43 H new ATOM 0 HB3 GLN A 60 2.563 0.709 5.440 1.00 0.43 H new ATOM 0 HG2 GLN A 60 2.477 2.497 4.019 1.00 0.53 H new ATOM 0 HG3 GLN A 60 0.829 2.120 3.555 1.00 0.53 H new ATOM 0 HE21 GLN A 60 0.332 4.467 3.605 1.00 0.95 H new ATOM 0 HE22 GLN A 60 0.098 5.283 5.154 1.00 0.95 H new ATOM 166 N CYS A 61 0.694 -0.364 2.171 1.00 0.33 N ATOM 167 CA CYS A 61 1.273 -0.689 0.828 1.00 0.35 C ATOM 168 C CYS A 61 1.490 0.584 -0.005 1.00 0.33 C ATOM 169 O CYS A 61 2.204 0.562 -0.994 1.00 0.33 O ATOM 170 CB CYS A 61 0.322 -1.629 0.084 1.00 0.44 C ATOM 171 SG CYS A 61 -1.129 -0.710 -0.494 1.00 0.49 S ATOM 0 H CYS A 61 -0.282 -0.067 2.159 1.00 0.33 H new ATOM 0 HA CYS A 61 2.240 -1.170 0.975 1.00 0.35 H new ATOM 0 HB2 CYS A 61 0.836 -2.084 -0.763 1.00 0.44 H new ATOM 0 HB3 CYS A 61 0.011 -2.441 0.742 1.00 0.44 H new ATOM 176 N ALA A 62 0.886 1.683 0.379 1.00 0.33 N ATOM 177 CA ALA A 62 1.046 2.954 -0.395 1.00 0.34 C ATOM 178 C ALA A 62 0.713 4.175 0.488 1.00 0.38 C ATOM 179 O ALA A 62 -0.012 4.075 1.466 1.00 0.45 O ATOM 180 CB ALA A 62 0.102 2.925 -1.601 1.00 0.35 C ATOM 0 H ALA A 62 0.285 1.754 1.200 1.00 0.33 H new ATOM 0 HA ALA A 62 2.081 3.039 -0.728 1.00 0.34 H new ATOM 0 HB1 ALA A 62 0.212 3.847 -2.171 1.00 0.35 H new ATOM 0 HB2 ALA A 62 0.349 2.074 -2.236 1.00 0.35 H new ATOM 0 HB3 ALA A 62 -0.928 2.833 -1.255 1.00 0.35 H new ATOM 186 N VAL A 63 1.234 5.326 0.135 1.00 0.39 N ATOM 187 CA VAL A 63 0.960 6.574 0.919 1.00 0.42 C ATOM 188 C VAL A 63 0.104 7.531 0.074 1.00 0.26 C ATOM 189 O VAL A 63 0.149 7.506 -1.145 1.00 0.50 O ATOM 190 CB VAL A 63 2.281 7.271 1.292 1.00 0.58 C ATOM 191 CG1 VAL A 63 3.198 6.293 2.021 1.00 0.99 C ATOM 192 CG2 VAL A 63 2.990 7.768 0.028 1.00 0.59 C ATOM 0 H VAL A 63 1.844 5.456 -0.672 1.00 0.39 H new ATOM 0 HA VAL A 63 0.428 6.307 1.832 1.00 0.42 H new ATOM 0 HB VAL A 63 2.055 8.117 1.941 1.00 0.58 H new ATOM 0 HG11 VAL A 63 4.130 6.794 2.281 1.00 0.99 H new ATOM 0 HG12 VAL A 63 2.708 5.943 2.930 1.00 0.99 H new ATOM 0 HG13 VAL A 63 3.411 5.443 1.373 1.00 0.99 H new ATOM 0 HG21 VAL A 63 3.923 8.259 0.304 1.00 0.59 H new ATOM 0 HG22 VAL A 63 3.204 6.922 -0.625 1.00 0.59 H new ATOM 0 HG23 VAL A 63 2.348 8.477 -0.495 1.00 0.59 H new ATOM 202 N ARG A 64 -0.663 8.382 0.711 1.00 0.45 N ATOM 203 CA ARG A 64 -1.512 9.351 -0.052 1.00 0.39 C ATOM 204 C ARG A 64 -0.895 10.756 0.043 1.00 0.39 C ATOM 205 O ARG A 64 -0.950 11.407 1.071 1.00 0.59 O ATOM 206 CB ARG A 64 -2.949 9.354 0.505 1.00 0.61 C ATOM 207 CG ARG A 64 -2.939 9.589 2.022 1.00 1.33 C ATOM 208 CD ARG A 64 -3.922 10.714 2.379 1.00 1.68 C ATOM 209 NE ARG A 64 -5.299 10.165 2.634 1.00 2.30 N ATOM 210 CZ ARG A 64 -5.559 8.894 2.497 1.00 2.84 C ATOM 211 NH1 ARG A 64 -5.791 8.409 1.318 1.00 3.11 N ATOM 212 NH2 ARG A 64 -5.592 8.129 3.543 1.00 3.58 N ATOM 0 H ARG A 64 -0.738 8.448 1.726 1.00 0.45 H new ATOM 0 HA ARG A 64 -1.552 9.050 -1.099 1.00 0.39 H new ATOM 0 HB2 ARG A 64 -3.533 10.133 0.015 1.00 0.61 H new ATOM 0 HB3 ARG A 64 -3.433 8.403 0.282 1.00 0.61 H new ATOM 0 HG2 ARG A 64 -3.215 8.673 2.543 1.00 1.33 H new ATOM 0 HG3 ARG A 64 -1.934 9.853 2.352 1.00 1.33 H new ATOM 0 HD2 ARG A 64 -3.568 11.244 3.263 1.00 1.68 H new ATOM 0 HD3 ARG A 64 -3.960 11.440 1.567 1.00 1.68 H new ATOM 0 HE ARG A 64 -6.045 10.799 2.920 1.00 2.30 H new ATOM 0 HH11 ARG A 64 -5.770 9.020 0.502 1.00 3.11 H new ATOM 0 HH12 ARG A 64 -5.995 7.416 1.206 1.00 3.11 H new ATOM 0 HH21 ARG A 64 -5.415 8.522 4.468 1.00 3.58 H new ATOM 0 HH22 ARG A 64 -5.795 7.135 3.441 1.00 3.58 H new ATOM 226 N LYS A 65 -0.318 11.230 -1.034 1.00 0.48 N ATOM 227 CA LYS A 65 0.300 12.596 -1.026 1.00 0.63 C ATOM 228 C LYS A 65 -0.690 13.610 -1.626 1.00 0.86 C ATOM 229 O LYS A 65 -0.413 14.277 -2.612 1.00 1.70 O ATOM 230 CB LYS A 65 1.642 12.619 -1.802 1.00 0.76 C ATOM 231 CG LYS A 65 2.009 11.229 -2.348 1.00 0.86 C ATOM 232 CD LYS A 65 3.154 11.368 -3.359 1.00 1.05 C ATOM 233 CE LYS A 65 3.847 10.015 -3.542 1.00 1.83 C ATOM 234 NZ LYS A 65 3.877 9.655 -4.994 1.00 2.47 N ATOM 0 H LYS A 65 -0.247 10.730 -1.920 1.00 0.48 H new ATOM 0 HA LYS A 65 0.519 12.870 0.006 1.00 0.63 H new ATOM 0 HB2 LYS A 65 1.573 13.327 -2.628 1.00 0.76 H new ATOM 0 HB3 LYS A 65 2.436 12.973 -1.145 1.00 0.76 H new ATOM 0 HG2 LYS A 65 2.307 10.572 -1.531 1.00 0.86 H new ATOM 0 HG3 LYS A 65 1.142 10.772 -2.824 1.00 0.86 H new ATOM 0 HD2 LYS A 65 2.767 11.722 -4.315 1.00 1.05 H new ATOM 0 HD3 LYS A 65 3.872 12.111 -3.011 1.00 1.05 H new ATOM 0 HE2 LYS A 65 4.862 10.059 -3.148 1.00 1.83 H new ATOM 0 HE3 LYS A 65 3.319 9.246 -2.978 1.00 1.83 H new ATOM 0 HZ1 LYS A 65 4.823 9.302 -5.245 1.00 2.47 H new ATOM 0 HZ2 LYS A 65 3.170 8.916 -5.183 1.00 2.47 H new ATOM 0 HZ3 LYS A 65 3.659 10.497 -5.565 1.00 2.47 H new ATOM 248 N GLY A 66 -1.844 13.734 -1.009 1.00 1.04 N ATOM 249 CA GLY A 66 -2.884 14.705 -1.481 1.00 1.27 C ATOM 250 C GLY A 66 -3.257 14.465 -2.952 1.00 1.25 C ATOM 251 O GLY A 66 -4.099 13.644 -3.261 1.00 1.76 O ATOM 0 H GLY A 66 -2.112 13.195 -0.186 1.00 1.04 H new ATOM 0 HA2 GLY A 66 -3.775 14.615 -0.860 1.00 1.27 H new ATOM 0 HA3 GLY A 66 -2.513 15.723 -1.361 1.00 1.27 H new ATOM 255 N ALA A 67 -2.649 15.204 -3.851 1.00 1.22 N ATOM 256 CA ALA A 67 -2.969 15.068 -5.311 1.00 1.42 C ATOM 257 C ALA A 67 -2.367 13.787 -5.919 1.00 0.91 C ATOM 258 O ALA A 67 -2.712 13.414 -7.030 1.00 1.34 O ATOM 259 CB ALA A 67 -2.414 16.287 -6.054 1.00 2.07 C ATOM 0 H ALA A 67 -1.938 15.902 -3.634 1.00 1.22 H new ATOM 0 HA ALA A 67 -4.052 15.006 -5.415 1.00 1.42 H new ATOM 0 HB1 ALA A 67 -2.640 16.200 -7.117 1.00 2.07 H new ATOM 0 HB2 ALA A 67 -2.872 17.194 -5.659 1.00 2.07 H new ATOM 0 HB3 ALA A 67 -1.334 16.336 -5.916 1.00 2.07 H new ATOM 265 N ARG A 68 -1.474 13.113 -5.229 1.00 0.53 N ATOM 266 CA ARG A 68 -0.869 11.870 -5.810 1.00 0.80 C ATOM 267 C ARG A 68 -0.724 10.776 -4.739 1.00 0.71 C ATOM 268 O ARG A 68 -0.874 11.018 -3.556 1.00 1.00 O ATOM 269 CB ARG A 68 0.508 12.203 -6.395 1.00 1.38 C ATOM 270 CG ARG A 68 0.336 12.816 -7.789 1.00 1.89 C ATOM 271 CD ARG A 68 -0.123 11.738 -8.774 1.00 2.64 C ATOM 272 NE ARG A 68 -1.037 12.352 -9.784 1.00 3.11 N ATOM 273 CZ ARG A 68 -2.243 11.895 -9.941 1.00 3.73 C ATOM 274 NH1 ARG A 68 -3.172 12.207 -9.093 1.00 4.43 N ATOM 275 NH2 ARG A 68 -2.512 11.118 -10.943 1.00 3.93 N ATOM 0 H ARG A 68 -1.141 13.367 -4.299 1.00 0.53 H new ATOM 0 HA ARG A 68 -1.527 11.496 -6.594 1.00 0.80 H new ATOM 0 HB2 ARG A 68 1.034 12.900 -5.742 1.00 1.38 H new ATOM 0 HB3 ARG A 68 1.117 11.301 -6.455 1.00 1.38 H new ATOM 0 HG2 ARG A 68 -0.394 13.624 -7.754 1.00 1.89 H new ATOM 0 HG3 ARG A 68 1.277 13.251 -8.124 1.00 1.89 H new ATOM 0 HD2 ARG A 68 0.739 11.291 -9.270 1.00 2.64 H new ATOM 0 HD3 ARG A 68 -0.636 10.937 -8.242 1.00 2.64 H new ATOM 0 HE ARG A 68 -0.713 13.134 -10.353 1.00 3.11 H new ATOM 0 HH11 ARG A 68 -2.957 12.812 -8.301 1.00 4.43 H new ATOM 0 HH12 ARG A 68 -4.118 11.847 -9.218 1.00 4.43 H new ATOM 0 HH21 ARG A 68 -1.778 10.867 -11.605 1.00 3.93 H new ATOM 0 HH22 ARG A 68 -3.458 10.757 -11.069 1.00 3.93 H new ATOM 289 N ILE A 69 -0.431 9.572 -5.163 1.00 0.51 N ATOM 290 CA ILE A 69 -0.270 8.431 -4.203 1.00 0.43 C ATOM 291 C ILE A 69 1.180 7.915 -4.254 1.00 0.46 C ATOM 292 O ILE A 69 1.924 8.197 -5.186 1.00 0.60 O ATOM 293 CB ILE A 69 -1.233 7.299 -4.598 1.00 0.47 C ATOM 294 CG1 ILE A 69 -2.633 7.869 -4.873 1.00 0.50 C ATOM 295 CG2 ILE A 69 -1.326 6.267 -3.471 1.00 0.49 C ATOM 296 CD1 ILE A 69 -3.208 8.494 -3.598 1.00 0.52 C ATOM 0 H ILE A 69 -0.295 9.326 -6.143 1.00 0.51 H new ATOM 0 HA ILE A 69 -0.496 8.769 -3.192 1.00 0.43 H new ATOM 0 HB ILE A 69 -0.850 6.820 -5.499 1.00 0.47 H new ATOM 0 HG12 ILE A 69 -2.580 8.619 -5.663 1.00 0.50 H new ATOM 0 HG13 ILE A 69 -3.293 7.078 -5.229 1.00 0.50 H new ATOM 0 HG21 ILE A 69 -2.011 5.471 -3.763 1.00 0.49 H new ATOM 0 HG22 ILE A 69 -0.339 5.845 -3.281 1.00 0.49 H new ATOM 0 HG23 ILE A 69 -1.695 6.749 -2.566 1.00 0.49 H new ATOM 0 HD11 ILE A 69 -4.200 8.895 -3.805 1.00 0.52 H new ATOM 0 HD12 ILE A 69 -3.278 7.734 -2.820 1.00 0.52 H new ATOM 0 HD13 ILE A 69 -2.555 9.299 -3.261 1.00 0.52 H new ATOM 308 N GLY A 70 1.598 7.171 -3.257 1.00 0.44 N ATOM 309 CA GLY A 70 3.000 6.636 -3.239 1.00 0.52 C ATOM 310 C GLY A 70 2.989 5.145 -2.896 1.00 0.56 C ATOM 311 O GLY A 70 2.758 4.774 -1.764 1.00 1.02 O ATOM 0 H GLY A 70 1.028 6.910 -2.452 1.00 0.44 H new ATOM 0 HA2 GLY A 70 3.469 6.790 -4.211 1.00 0.52 H new ATOM 0 HA3 GLY A 70 3.596 7.181 -2.507 1.00 0.52 H new ATOM 315 N LYS A 71 3.249 4.289 -3.859 1.00 0.40 N ATOM 316 CA LYS A 71 3.265 2.815 -3.579 1.00 0.38 C ATOM 317 C LYS A 71 4.518 2.458 -2.762 1.00 0.36 C ATOM 318 O LYS A 71 5.606 2.929 -3.038 1.00 0.45 O ATOM 319 CB LYS A 71 3.270 2.036 -4.901 1.00 0.50 C ATOM 320 CG LYS A 71 3.174 0.530 -4.615 1.00 0.69 C ATOM 321 CD LYS A 71 2.192 -0.122 -5.595 1.00 1.07 C ATOM 322 CE LYS A 71 2.071 -1.619 -5.290 1.00 0.98 C ATOM 323 NZ LYS A 71 2.152 -2.402 -6.560 1.00 1.81 N ATOM 0 H LYS A 71 3.450 4.547 -4.825 1.00 0.40 H new ATOM 0 HA LYS A 71 2.375 2.548 -3.009 1.00 0.38 H new ATOM 0 HB2 LYS A 71 2.433 2.352 -5.523 1.00 0.50 H new ATOM 0 HB3 LYS A 71 4.181 2.253 -5.458 1.00 0.50 H new ATOM 0 HG2 LYS A 71 4.157 0.069 -4.710 1.00 0.69 H new ATOM 0 HG3 LYS A 71 2.842 0.365 -3.590 1.00 0.69 H new ATOM 0 HD2 LYS A 71 1.215 0.355 -5.516 1.00 1.07 H new ATOM 0 HD3 LYS A 71 2.536 0.023 -6.619 1.00 1.07 H new ATOM 0 HE2 LYS A 71 2.866 -1.927 -4.611 1.00 0.98 H new ATOM 0 HE3 LYS A 71 1.126 -1.822 -4.787 1.00 0.98 H new ATOM 0 HZ1 LYS A 71 1.821 -3.373 -6.391 1.00 1.81 H new ATOM 0 HZ2 LYS A 71 1.554 -1.953 -7.283 1.00 1.81 H new ATOM 0 HZ3 LYS A 71 3.138 -2.425 -6.891 1.00 1.81 H new ATOM 337 N LEU A 72 4.361 1.635 -1.756 1.00 0.34 N ATOM 338 CA LEU A 72 5.527 1.241 -0.899 1.00 0.38 C ATOM 339 C LEU A 72 5.817 -0.256 -1.077 1.00 0.38 C ATOM 340 O LEU A 72 6.956 -0.667 -1.196 1.00 0.61 O ATOM 341 CB LEU A 72 5.204 1.525 0.578 1.00 0.42 C ATOM 342 CG LEU A 72 4.254 2.720 0.692 1.00 0.39 C ATOM 343 CD1 LEU A 72 3.744 2.837 2.122 1.00 0.59 C ATOM 344 CD2 LEU A 72 4.990 4.002 0.313 1.00 0.59 C ATOM 0 H LEU A 72 3.471 1.215 -1.488 1.00 0.34 H new ATOM 0 HA LEU A 72 6.402 1.819 -1.198 1.00 0.38 H new ATOM 0 HB2 LEU A 72 4.750 0.645 1.034 1.00 0.42 H new ATOM 0 HB3 LEU A 72 6.124 1.729 1.126 1.00 0.42 H new ATOM 0 HG LEU A 72 3.412 2.571 0.016 1.00 0.39 H new ATOM 0 HD11 LEU A 72 3.068 3.689 2.199 1.00 0.59 H new ATOM 0 HD12 LEU A 72 3.212 1.926 2.394 1.00 0.59 H new ATOM 0 HD13 LEU A 72 4.587 2.980 2.798 1.00 0.59 H new ATOM 0 HD21 LEU A 72 4.310 4.850 0.396 1.00 0.59 H new ATOM 0 HD22 LEU A 72 5.836 4.148 0.985 1.00 0.59 H new ATOM 0 HD23 LEU A 72 5.351 3.925 -0.713 1.00 0.59 H new ATOM 356 N CYS A 73 4.789 -1.070 -1.089 1.00 0.42 N ATOM 357 CA CYS A 73 4.982 -2.546 -1.252 1.00 0.41 C ATOM 358 C CYS A 73 3.730 -3.157 -1.894 1.00 0.39 C ATOM 359 O CYS A 73 2.664 -2.569 -1.875 1.00 0.57 O ATOM 360 CB CYS A 73 5.225 -3.188 0.120 1.00 0.48 C ATOM 361 SG CYS A 73 4.254 -2.318 1.375 1.00 0.97 S ATOM 0 H CYS A 73 3.818 -0.773 -0.992 1.00 0.42 H new ATOM 0 HA CYS A 73 5.844 -2.731 -1.893 1.00 0.41 H new ATOM 0 HB2 CYS A 73 4.946 -4.241 0.095 1.00 0.48 H new ATOM 0 HB3 CYS A 73 6.285 -3.145 0.371 1.00 0.48 H new ATOM 366 N ASP A 74 3.846 -4.327 -2.465 1.00 0.34 N ATOM 367 CA ASP A 74 2.656 -4.958 -3.110 1.00 0.42 C ATOM 368 C ASP A 74 1.818 -5.697 -2.058 1.00 0.42 C ATOM 369 O ASP A 74 2.346 -6.294 -1.137 1.00 0.88 O ATOM 370 CB ASP A 74 3.107 -5.939 -4.197 1.00 0.52 C ATOM 371 CG ASP A 74 2.134 -5.860 -5.371 1.00 0.93 C ATOM 372 OD1 ASP A 74 2.165 -4.858 -6.075 1.00 1.32 O ATOM 373 OD2 ASP A 74 1.367 -6.791 -5.539 1.00 1.43 O ATOM 0 H ASP A 74 4.708 -4.871 -2.513 1.00 0.34 H new ATOM 0 HA ASP A 74 2.047 -4.177 -3.566 1.00 0.42 H new ATOM 0 HB2 ASP A 74 4.117 -5.696 -4.528 1.00 0.52 H new ATOM 0 HB3 ASP A 74 3.137 -6.954 -3.800 1.00 0.52 H new ATOM 378 N CYS A 75 0.515 -5.663 -2.193 1.00 0.54 N ATOM 379 CA CYS A 75 -0.363 -6.365 -1.204 1.00 0.58 C ATOM 380 C CYS A 75 -0.459 -7.851 -1.560 1.00 0.54 C ATOM 381 O CYS A 75 -0.682 -8.196 -2.707 1.00 0.54 O ATOM 382 CB CYS A 75 -1.770 -5.760 -1.218 1.00 0.76 C ATOM 383 SG CYS A 75 -1.737 -4.139 -0.417 1.00 0.85 S ATOM 0 H CYS A 75 0.021 -5.180 -2.944 1.00 0.54 H new ATOM 0 HA CYS A 75 0.072 -6.248 -0.211 1.00 0.58 H new ATOM 0 HB2 CYS A 75 -2.126 -5.663 -2.244 1.00 0.76 H new ATOM 0 HB3 CYS A 75 -2.466 -6.419 -0.700 1.00 0.76 H new ATOM 388 N PRO A 76 -0.303 -8.688 -0.563 1.00 0.56 N ATOM 389 CA PRO A 76 -0.382 -10.161 -0.716 1.00 0.58 C ATOM 390 C PRO A 76 -1.752 -10.559 -1.284 1.00 0.51 C ATOM 391 O PRO A 76 -2.773 -10.006 -0.899 1.00 0.51 O ATOM 392 CB PRO A 76 -0.201 -10.743 0.692 1.00 0.64 C ATOM 393 CG PRO A 76 -0.011 -9.561 1.663 1.00 0.68 C ATOM 394 CD PRO A 76 -0.027 -8.271 0.835 1.00 0.63 C ATOM 0 HA PRO A 76 0.378 -10.535 -1.402 1.00 0.58 H new ATOM 0 HB2 PRO A 76 -1.070 -11.336 0.976 1.00 0.64 H new ATOM 0 HB3 PRO A 76 0.662 -11.407 0.724 1.00 0.64 H new ATOM 0 HG2 PRO A 76 -0.806 -9.547 2.409 1.00 0.68 H new ATOM 0 HG3 PRO A 76 0.931 -9.657 2.203 1.00 0.68 H new ATOM 0 HD2 PRO A 76 -0.793 -7.585 1.196 1.00 0.63 H new ATOM 0 HD3 PRO A 76 0.928 -7.750 0.906 1.00 0.63 H new ATOM 402 N ARG A 77 -1.777 -11.514 -2.193 1.00 0.53 N ATOM 403 CA ARG A 77 -3.075 -11.970 -2.798 1.00 0.54 C ATOM 404 C ARG A 77 -4.111 -12.165 -1.686 1.00 0.49 C ATOM 405 O ARG A 77 -3.876 -12.860 -0.713 1.00 0.53 O ATOM 406 CB ARG A 77 -2.869 -13.284 -3.564 1.00 0.62 C ATOM 407 CG ARG A 77 -2.091 -14.282 -2.701 1.00 0.63 C ATOM 408 CD ARG A 77 -0.804 -14.690 -3.422 1.00 1.01 C ATOM 409 NE ARG A 77 0.293 -14.841 -2.421 1.00 1.51 N ATOM 410 CZ ARG A 77 1.119 -13.864 -2.198 1.00 2.29 C ATOM 411 NH1 ARG A 77 2.031 -13.575 -3.072 1.00 2.68 N ATOM 412 NH2 ARG A 77 1.033 -13.181 -1.097 1.00 3.18 N ATOM 0 H ARG A 77 -0.950 -11.998 -2.542 1.00 0.53 H new ATOM 0 HA ARG A 77 -3.433 -11.214 -3.497 1.00 0.54 H new ATOM 0 HB2 ARG A 77 -3.834 -13.707 -3.841 1.00 0.62 H new ATOM 0 HB3 ARG A 77 -2.327 -13.093 -4.490 1.00 0.62 H new ATOM 0 HG2 ARG A 77 -1.853 -13.835 -1.736 1.00 0.63 H new ATOM 0 HG3 ARG A 77 -2.703 -15.162 -2.503 1.00 0.63 H new ATOM 0 HD2 ARG A 77 -0.955 -15.627 -3.958 1.00 1.01 H new ATOM 0 HD3 ARG A 77 -0.535 -13.938 -4.164 1.00 1.01 H new ATOM 0 HE ARG A 77 0.394 -15.717 -1.909 1.00 1.51 H new ATOM 0 HH11 ARG A 77 2.100 -14.115 -3.935 1.00 2.68 H new ATOM 0 HH12 ARG A 77 2.680 -12.808 -2.897 1.00 2.68 H new ATOM 0 HH21 ARG A 77 0.317 -13.412 -0.408 1.00 3.18 H new ATOM 0 HH22 ARG A 77 1.681 -12.413 -0.921 1.00 3.18 H new ATOM 426 N GLY A 78 -5.242 -11.518 -1.809 1.00 0.55 N ATOM 427 CA GLY A 78 -6.291 -11.611 -0.748 1.00 0.62 C ATOM 428 C GLY A 78 -6.390 -10.250 -0.050 1.00 0.55 C ATOM 429 O GLY A 78 -7.432 -9.871 0.444 1.00 0.60 O ATOM 0 H GLY A 78 -5.485 -10.926 -2.603 1.00 0.55 H new ATOM 0 HA2 GLY A 78 -7.251 -11.884 -1.186 1.00 0.62 H new ATOM 0 HA3 GLY A 78 -6.036 -12.389 -0.029 1.00 0.62 H new ATOM 433 N THR A 79 -5.306 -9.506 -0.029 1.00 0.49 N ATOM 434 CA THR A 79 -5.317 -8.153 0.609 1.00 0.47 C ATOM 435 C THR A 79 -5.213 -7.086 -0.490 1.00 0.61 C ATOM 436 O THR A 79 -4.395 -7.186 -1.393 1.00 1.16 O ATOM 437 CB THR A 79 -4.129 -8.021 1.578 1.00 0.55 C ATOM 438 OG1 THR A 79 -2.921 -7.847 0.848 1.00 0.71 O ATOM 439 CG2 THR A 79 -4.015 -9.280 2.441 1.00 0.59 C ATOM 0 H THR A 79 -4.410 -9.783 -0.430 1.00 0.49 H new ATOM 0 HA THR A 79 -6.242 -8.018 1.169 1.00 0.47 H new ATOM 0 HB THR A 79 -4.297 -7.154 2.217 1.00 0.55 H new ATOM 0 HG1 THR A 79 -2.814 -8.585 0.212 1.00 0.71 H new ATOM 0 HG21 THR A 79 -3.172 -9.178 3.124 1.00 0.59 H new ATOM 0 HG22 THR A 79 -4.932 -9.412 3.015 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.860 -10.148 1.800 1.00 0.59 H new ATOM 447 N SER A 80 -6.044 -6.075 -0.436 1.00 0.38 N ATOM 448 CA SER A 80 -6.009 -5.010 -1.489 1.00 0.46 C ATOM 449 C SER A 80 -5.352 -3.728 -0.957 1.00 0.52 C ATOM 450 O SER A 80 -5.240 -3.513 0.238 1.00 1.46 O ATOM 451 CB SER A 80 -7.437 -4.702 -1.938 1.00 0.57 C ATOM 452 OG SER A 80 -7.401 -4.112 -3.234 1.00 1.39 O ATOM 0 H SER A 80 -6.746 -5.940 0.292 1.00 0.38 H new ATOM 0 HA SER A 80 -5.419 -5.373 -2.331 1.00 0.46 H new ATOM 0 HB2 SER A 80 -8.031 -5.616 -1.957 1.00 0.57 H new ATOM 0 HB3 SER A 80 -7.916 -4.026 -1.230 1.00 0.57 H new ATOM 0 HG SER A 80 -8.314 -3.914 -3.529 1.00 1.39 H new ATOM 458 N CYS A 81 -4.922 -2.871 -1.853 1.00 0.58 N ATOM 459 CA CYS A 81 -4.268 -1.587 -1.437 1.00 0.43 C ATOM 460 C CYS A 81 -5.346 -0.528 -1.175 1.00 0.41 C ATOM 461 O CYS A 81 -5.735 0.209 -2.066 1.00 0.52 O ATOM 462 CB CYS A 81 -3.331 -1.094 -2.550 1.00 0.54 C ATOM 463 SG CYS A 81 -1.635 -1.637 -2.216 1.00 0.98 S ATOM 0 H CYS A 81 -4.996 -3.006 -2.861 1.00 0.58 H new ATOM 0 HA CYS A 81 -3.690 -1.757 -0.529 1.00 0.43 H new ATOM 0 HB2 CYS A 81 -3.662 -1.481 -3.514 1.00 0.54 H new ATOM 0 HB3 CYS A 81 -3.368 -0.006 -2.613 1.00 0.54 H new ATOM 468 N ASN A 82 -5.832 -0.444 0.042 1.00 0.37 N ATOM 469 CA ASN A 82 -6.887 0.570 0.368 1.00 0.50 C ATOM 470 C ASN A 82 -6.294 1.987 0.280 1.00 0.46 C ATOM 471 O ASN A 82 -5.500 2.388 1.109 1.00 0.44 O ATOM 472 CB ASN A 82 -7.418 0.316 1.784 1.00 0.60 C ATOM 473 CG ASN A 82 -8.725 1.084 1.980 1.00 0.87 C ATOM 474 OD1 ASN A 82 -8.723 2.295 2.049 1.00 1.57 O ATOM 475 ND2 ASN A 82 -9.844 0.433 2.072 1.00 1.30 N ATOM 0 H ASN A 82 -5.544 -1.033 0.823 1.00 0.37 H new ATOM 0 HA ASN A 82 -7.705 0.483 -0.347 1.00 0.50 H new ATOM 0 HB2 ASN A 82 -7.583 -0.751 1.937 1.00 0.60 H new ATOM 0 HB3 ASN A 82 -6.682 0.633 2.523 1.00 0.60 H new ATOM 0 HD21 ASN A 82 -10.720 0.940 2.202 1.00 1.30 H new ATOM 0 HD22 ASN A 82 -9.848 -0.585 2.014 1.00 1.30 H new ATOM 482 N SER A 83 -6.675 2.749 -0.720 1.00 0.52 N ATOM 483 CA SER A 83 -6.137 4.145 -0.868 1.00 0.53 C ATOM 484 C SER A 83 -6.634 5.037 0.282 1.00 0.56 C ATOM 485 O SER A 83 -5.998 6.017 0.643 1.00 0.64 O ATOM 486 CB SER A 83 -6.602 4.734 -2.202 1.00 0.61 C ATOM 487 OG SER A 83 -5.884 5.935 -2.461 1.00 1.33 O ATOM 0 H SER A 83 -7.337 2.465 -1.442 1.00 0.52 H new ATOM 0 HA SER A 83 -5.048 4.105 -0.840 1.00 0.53 H new ATOM 0 HB2 SER A 83 -6.437 4.017 -3.006 1.00 0.61 H new ATOM 0 HB3 SER A 83 -7.673 4.936 -2.170 1.00 0.61 H new ATOM 0 HG SER A 83 -6.178 6.314 -3.315 1.00 1.33 H new ATOM 493 N PHE A 84 -7.763 4.713 0.864 1.00 0.57 N ATOM 494 CA PHE A 84 -8.293 5.542 1.990 1.00 0.61 C ATOM 495 C PHE A 84 -7.534 5.189 3.275 1.00 0.56 C ATOM 496 O PHE A 84 -6.971 6.050 3.929 1.00 0.56 O ATOM 497 CB PHE A 84 -9.794 5.269 2.179 1.00 0.73 C ATOM 498 CG PHE A 84 -10.501 5.348 0.842 1.00 0.80 C ATOM 499 CD1 PHE A 84 -10.829 6.594 0.290 1.00 1.36 C ATOM 500 CD2 PHE A 84 -10.828 4.171 0.155 1.00 1.18 C ATOM 501 CE1 PHE A 84 -11.475 6.663 -0.951 1.00 1.59 C ATOM 502 CE2 PHE A 84 -11.475 4.241 -1.086 1.00 1.28 C ATOM 503 CZ PHE A 84 -11.799 5.486 -1.637 1.00 1.25 C ATOM 0 H PHE A 84 -8.339 3.911 0.608 1.00 0.57 H new ATOM 0 HA PHE A 84 -8.153 6.599 1.762 1.00 0.61 H new ATOM 0 HB2 PHE A 84 -9.941 4.284 2.621 1.00 0.73 H new ATOM 0 HB3 PHE A 84 -10.221 5.995 2.870 1.00 0.73 H new ATOM 0 HD1 PHE A 84 -10.584 7.501 0.822 1.00 1.36 H new ATOM 0 HD2 PHE A 84 -10.581 3.210 0.582 1.00 1.18 H new ATOM 0 HE1 PHE A 84 -11.723 7.623 -1.378 1.00 1.59 H new ATOM 0 HE2 PHE A 84 -11.724 3.334 -1.617 1.00 1.28 H new ATOM 0 HZ PHE A 84 -12.300 5.539 -2.593 1.00 1.25 H new ATOM 513 N LEU A 85 -7.513 3.930 3.633 1.00 0.54 N ATOM 514 CA LEU A 85 -6.801 3.493 4.879 1.00 0.54 C ATOM 515 C LEU A 85 -5.287 3.359 4.636 1.00 0.41 C ATOM 516 O LEU A 85 -4.506 3.437 5.565 1.00 0.41 O ATOM 517 CB LEU A 85 -7.358 2.135 5.321 1.00 0.65 C ATOM 518 CG LEU A 85 -8.709 2.321 6.019 1.00 0.85 C ATOM 519 CD1 LEU A 85 -9.801 2.609 4.988 1.00 1.83 C ATOM 520 CD2 LEU A 85 -9.060 1.037 6.763 1.00 1.44 C ATOM 0 H LEU A 85 -7.962 3.177 3.112 1.00 0.54 H new ATOM 0 HA LEU A 85 -6.962 4.245 5.651 1.00 0.54 H new ATOM 0 HB2 LEU A 85 -7.474 1.482 4.456 1.00 0.65 H new ATOM 0 HB3 LEU A 85 -6.655 1.648 5.997 1.00 0.65 H new ATOM 0 HG LEU A 85 -8.642 3.159 6.713 1.00 0.85 H new ATOM 0 HD11 LEU A 85 -10.756 2.739 5.497 1.00 1.83 H new ATOM 0 HD12 LEU A 85 -9.554 3.519 4.441 1.00 1.83 H new ATOM 0 HD13 LEU A 85 -9.872 1.774 4.291 1.00 1.83 H new ATOM 0 HD21 LEU A 85 -10.020 1.158 7.264 1.00 1.44 H new ATOM 0 HD22 LEU A 85 -9.122 0.211 6.054 1.00 1.44 H new ATOM 0 HD23 LEU A 85 -8.289 0.823 7.503 1.00 1.44 H new ATOM 532 N LEU A 86 -4.874 3.142 3.406 1.00 0.34 N ATOM 533 CA LEU A 86 -3.414 2.984 3.084 1.00 0.29 C ATOM 534 C LEU A 86 -2.867 1.697 3.735 1.00 0.28 C ATOM 535 O LEU A 86 -1.787 1.683 4.299 1.00 0.36 O ATOM 536 CB LEU A 86 -2.625 4.203 3.585 1.00 0.35 C ATOM 537 CG LEU A 86 -3.173 5.486 2.957 1.00 0.41 C ATOM 538 CD1 LEU A 86 -2.381 6.682 3.483 1.00 0.48 C ATOM 539 CD2 LEU A 86 -3.031 5.421 1.437 1.00 0.45 C ATOM 0 H LEU A 86 -5.495 3.067 2.600 1.00 0.34 H new ATOM 0 HA LEU A 86 -3.298 2.912 2.003 1.00 0.29 H new ATOM 0 HB2 LEU A 86 -2.690 4.265 4.671 1.00 0.35 H new ATOM 0 HB3 LEU A 86 -1.570 4.090 3.335 1.00 0.35 H new ATOM 0 HG LEU A 86 -4.226 5.593 3.218 1.00 0.41 H new ATOM 0 HD11 LEU A 86 -2.768 7.599 3.038 1.00 0.48 H new ATOM 0 HD12 LEU A 86 -2.479 6.735 4.567 1.00 0.48 H new ATOM 0 HD13 LEU A 86 -1.330 6.567 3.219 1.00 0.48 H new ATOM 0 HD21 LEU A 86 -3.423 6.337 0.995 1.00 0.45 H new ATOM 0 HD22 LEU A 86 -1.979 5.313 1.174 1.00 0.45 H new ATOM 0 HD23 LEU A 86 -3.590 4.567 1.056 1.00 0.45 H new ATOM 551 N LYS A 87 -3.605 0.615 3.649 1.00 0.31 N ATOM 552 CA LYS A 87 -3.147 -0.681 4.251 1.00 0.39 C ATOM 553 C LYS A 87 -3.588 -1.853 3.349 1.00 0.51 C ATOM 554 O LYS A 87 -4.573 -1.759 2.633 1.00 1.07 O ATOM 555 CB LYS A 87 -3.769 -0.829 5.649 1.00 0.48 C ATOM 556 CG LYS A 87 -2.791 -1.541 6.596 1.00 1.23 C ATOM 557 CD LYS A 87 -1.861 -0.515 7.266 1.00 1.27 C ATOM 558 CE LYS A 87 -1.746 -0.804 8.770 1.00 1.44 C ATOM 559 NZ LYS A 87 -0.814 -1.949 8.992 1.00 2.07 N ATOM 0 H LYS A 87 -4.512 0.573 3.184 1.00 0.31 H new ATOM 0 HA LYS A 87 -2.060 -0.690 4.334 1.00 0.39 H new ATOM 0 HB2 LYS A 87 -4.022 0.153 6.048 1.00 0.48 H new ATOM 0 HB3 LYS A 87 -4.698 -1.395 5.583 1.00 0.48 H new ATOM 0 HG2 LYS A 87 -3.345 -2.092 7.356 1.00 1.23 H new ATOM 0 HG3 LYS A 87 -2.201 -2.270 6.041 1.00 1.23 H new ATOM 0 HD2 LYS A 87 -0.874 -0.553 6.805 1.00 1.27 H new ATOM 0 HD3 LYS A 87 -2.247 0.492 7.111 1.00 1.27 H new ATOM 0 HE2 LYS A 87 -1.382 0.080 9.293 1.00 1.44 H new ATOM 0 HE3 LYS A 87 -2.728 -1.037 9.182 1.00 1.44 H new ATOM 0 HZ1 LYS A 87 -0.738 -2.142 10.011 1.00 2.07 H new ATOM 0 HZ2 LYS A 87 -1.179 -2.793 8.506 1.00 2.07 H new ATOM 0 HZ3 LYS A 87 0.125 -1.711 8.614 1.00 2.07 H new ATOM 573 N CYS A 88 -2.858 -2.949 3.365 1.00 0.36 N ATOM 574 CA CYS A 88 -3.225 -4.122 2.500 1.00 0.41 C ATOM 575 C CYS A 88 -4.458 -4.833 3.072 1.00 0.45 C ATOM 576 O CYS A 88 -4.345 -5.775 3.841 1.00 0.68 O ATOM 577 CB CYS A 88 -2.057 -5.113 2.431 1.00 0.57 C ATOM 578 SG CYS A 88 -0.776 -4.471 1.328 1.00 1.05 S ATOM 0 H CYS A 88 -2.025 -3.081 3.939 1.00 0.36 H new ATOM 0 HA CYS A 88 -3.449 -3.757 1.498 1.00 0.41 H new ATOM 0 HB2 CYS A 88 -1.645 -5.274 3.427 1.00 0.57 H new ATOM 0 HB3 CYS A 88 -2.409 -6.080 2.071 1.00 0.57 H new ATOM 583 N LEU A 89 -5.628 -4.394 2.692 1.00 0.44 N ATOM 584 CA LEU A 89 -6.879 -5.032 3.187 1.00 0.58 C ATOM 585 C LEU A 89 -7.939 -4.971 2.074 1.00 0.94 C ATOM 586 O LEU A 89 -8.073 -5.958 1.369 1.00 1.57 O ATOM 587 CB LEU A 89 -7.364 -4.299 4.446 1.00 0.90 C ATOM 588 CG LEU A 89 -7.318 -5.258 5.639 1.00 1.78 C ATOM 589 CD1 LEU A 89 -6.865 -4.508 6.892 1.00 2.47 C ATOM 590 CD2 LEU A 89 -8.713 -5.841 5.871 1.00 2.29 C ATOM 591 OXT LEU A 89 -8.575 -3.937 1.923 1.00 1.56 O ATOM 0 H LEU A 89 -5.770 -3.612 2.053 1.00 0.44 H new ATOM 0 HA LEU A 89 -6.697 -6.075 3.447 1.00 0.58 H new ATOM 0 HB2 LEU A 89 -6.736 -3.429 4.639 1.00 0.90 H new ATOM 0 HB3 LEU A 89 -8.380 -3.932 4.299 1.00 0.90 H new ATOM 0 HG LEU A 89 -6.612 -6.062 5.429 1.00 1.78 H new ATOM 0 HD11 LEU A 89 -6.835 -5.196 7.737 1.00 2.47 H new ATOM 0 HD12 LEU A 89 -5.871 -4.091 6.727 1.00 2.47 H new ATOM 0 HD13 LEU A 89 -7.566 -3.701 7.106 1.00 2.47 H new ATOM 0 HD21 LEU A 89 -8.685 -6.525 6.720 1.00 2.29 H new ATOM 0 HD22 LEU A 89 -9.415 -5.033 6.078 1.00 2.29 H new ATOM 0 HD23 LEU A 89 -9.034 -6.381 4.980 1.00 2.29 H new