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 -123:sc= 0 (180deg=-0.0292) USER MOD Single : A 60 GLN : amide:sc= -1.21! K(o=-1.2!,f=-0.17) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= 0.91 (180deg=0.114) USER MOD Single : A 79 THR OG1 : rot -46:sc= -2.44! USER MOD Single : A 80 SER OG : rot 180:sc=-0.000638 USER MOD Single : A 82 ASN : amide:sc= 0.91 K(o=0.91,f=-1.8) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -102:sc= 0.882 (180deg=-3.08!) USER MOD ----------------------------------------------------------------- ATOM 48 N VAL A 52 7.068 -4.520 -6.203 1.00 1.27 N ATOM 49 CA VAL A 52 7.832 -4.226 -4.947 1.00 1.07 C ATOM 50 C VAL A 52 7.730 -5.426 -3.996 1.00 0.87 C ATOM 51 O VAL A 52 6.984 -6.355 -4.258 1.00 0.81 O ATOM 52 CB VAL A 52 7.213 -2.996 -4.263 1.00 1.21 C ATOM 53 CG1 VAL A 52 7.864 -1.730 -4.805 1.00 1.83 C ATOM 54 CG2 VAL A 52 5.707 -2.947 -4.538 1.00 1.44 C ATOM 0 HA VAL A 52 8.878 -4.036 -5.189 1.00 1.07 H new ATOM 0 HB VAL A 52 7.381 -3.065 -3.188 1.00 1.21 H new ATOM 0 HG11 VAL A 52 7.425 -0.859 -4.320 1.00 1.83 H new ATOM 0 HG12 VAL A 52 8.935 -1.756 -4.603 1.00 1.83 H new ATOM 0 HG13 VAL A 52 7.699 -1.668 -5.881 1.00 1.83 H new ATOM 0 HG21 VAL A 52 5.276 -2.073 -4.050 1.00 1.44 H new ATOM 0 HG22 VAL A 52 5.535 -2.884 -5.613 1.00 1.44 H new ATOM 0 HG23 VAL A 52 5.236 -3.849 -4.147 1.00 1.44 H new ATOM 64 N PRO A 53 8.452 -5.366 -2.893 1.00 0.82 N ATOM 65 CA PRO A 53 8.418 -6.433 -1.869 1.00 0.70 C ATOM 66 C PRO A 53 6.966 -6.635 -1.423 1.00 0.58 C ATOM 67 O PRO A 53 6.253 -5.683 -1.151 1.00 0.86 O ATOM 68 CB PRO A 53 9.301 -5.944 -0.714 1.00 0.77 C ATOM 69 CG PRO A 53 9.865 -4.566 -1.113 1.00 0.92 C ATOM 70 CD PRO A 53 9.368 -4.254 -2.532 1.00 0.95 C ATOM 0 HA PRO A 53 8.786 -7.390 -2.240 1.00 0.70 H new ATOM 0 HB2 PRO A 53 8.722 -5.869 0.206 1.00 0.77 H new ATOM 0 HB3 PRO A 53 10.110 -6.649 -0.525 1.00 0.77 H new ATOM 0 HG2 PRO A 53 9.532 -3.799 -0.414 1.00 0.92 H new ATOM 0 HG3 PRO A 53 10.955 -4.575 -1.082 1.00 0.92 H new ATOM 0 HD2 PRO A 53 8.850 -3.295 -2.563 1.00 0.95 H new ATOM 0 HD3 PRO A 53 10.200 -4.190 -3.233 1.00 0.95 H new ATOM 78 N MET A 54 6.513 -7.863 -1.387 1.00 0.55 N ATOM 79 CA MET A 54 5.094 -8.137 -1.003 1.00 0.55 C ATOM 80 C MET A 54 4.765 -7.516 0.369 1.00 0.50 C ATOM 81 O MET A 54 5.451 -7.729 1.352 1.00 0.70 O ATOM 82 CB MET A 54 4.858 -9.650 -0.966 1.00 0.79 C ATOM 83 CG MET A 54 3.371 -9.932 -0.734 1.00 1.38 C ATOM 84 SD MET A 54 2.803 -11.176 -1.916 1.00 1.55 S ATOM 85 CE MET A 54 2.606 -10.065 -3.330 1.00 1.49 C ATOM 0 H MET A 54 7.067 -8.691 -1.608 1.00 0.55 H new ATOM 0 HA MET A 54 4.437 -7.683 -1.745 1.00 0.55 H new ATOM 0 HB2 MET A 54 5.182 -10.102 -1.903 1.00 0.79 H new ATOM 0 HB3 MET A 54 5.452 -10.102 -0.172 1.00 0.79 H new ATOM 0 HG2 MET A 54 3.211 -10.283 0.285 1.00 1.38 H new ATOM 0 HG3 MET A 54 2.793 -9.015 -0.849 1.00 1.38 H new ATOM 0 HE1 MET A 54 1.581 -10.121 -3.696 1.00 1.49 H new ATOM 0 HE2 MET A 54 2.827 -9.043 -3.023 1.00 1.49 H new ATOM 0 HE3 MET A 54 3.292 -10.361 -4.124 1.00 1.49 H new ATOM 95 N CYS A 55 3.707 -6.744 0.416 1.00 0.45 N ATOM 96 CA CYS A 55 3.271 -6.070 1.683 1.00 0.58 C ATOM 97 C CYS A 55 2.270 -6.948 2.454 1.00 0.60 C ATOM 98 O CYS A 55 2.111 -8.123 2.176 1.00 1.19 O ATOM 99 CB CYS A 55 2.593 -4.743 1.323 1.00 0.78 C ATOM 100 SG CYS A 55 3.172 -3.452 2.446 1.00 1.09 S ATOM 0 H CYS A 55 3.112 -6.547 -0.389 1.00 0.45 H new ATOM 0 HA CYS A 55 4.145 -5.902 2.313 1.00 0.58 H new ATOM 0 HB2 CYS A 55 2.821 -4.473 0.292 1.00 0.78 H new ATOM 0 HB3 CYS A 55 1.510 -4.844 1.394 1.00 0.78 H new ATOM 105 N ASP A 56 1.584 -6.358 3.414 1.00 0.57 N ATOM 106 CA ASP A 56 0.567 -7.109 4.219 1.00 0.53 C ATOM 107 C ASP A 56 -0.516 -6.137 4.733 1.00 0.49 C ATOM 108 O ASP A 56 -0.479 -4.947 4.465 1.00 0.52 O ATOM 109 CB ASP A 56 1.258 -7.781 5.413 1.00 0.61 C ATOM 110 CG ASP A 56 0.484 -9.040 5.802 1.00 1.16 C ATOM 111 OD1 ASP A 56 -0.456 -8.918 6.572 1.00 1.69 O ATOM 112 OD2 ASP A 56 0.830 -10.099 5.311 1.00 1.73 O ATOM 0 H ASP A 56 1.690 -5.377 3.673 1.00 0.57 H new ATOM 0 HA ASP A 56 0.100 -7.867 3.591 1.00 0.53 H new ATOM 0 HB2 ASP A 56 2.286 -8.037 5.156 1.00 0.61 H new ATOM 0 HB3 ASP A 56 1.303 -7.092 6.257 1.00 0.61 H new ATOM 117 N ALA A 57 -1.472 -6.635 5.484 1.00 0.52 N ATOM 118 CA ALA A 57 -2.554 -5.756 6.039 1.00 0.57 C ATOM 119 C ALA A 57 -1.965 -4.825 7.113 1.00 0.59 C ATOM 120 O ALA A 57 -2.503 -3.763 7.396 1.00 1.25 O ATOM 121 CB ALA A 57 -3.643 -6.635 6.666 1.00 0.71 C ATOM 0 H ALA A 57 -1.550 -7.620 5.738 1.00 0.52 H new ATOM 0 HA ALA A 57 -2.982 -5.154 5.238 1.00 0.57 H new ATOM 0 HB1 ALA A 57 -4.433 -6.002 7.071 1.00 0.71 H new ATOM 0 HB2 ALA A 57 -4.061 -7.294 5.905 1.00 0.71 H new ATOM 0 HB3 ALA A 57 -3.211 -7.234 7.468 1.00 0.71 H new ATOM 127 N GLY A 58 -0.865 -5.219 7.718 1.00 0.59 N ATOM 128 CA GLY A 58 -0.228 -4.381 8.780 1.00 0.62 C ATOM 129 C GLY A 58 0.590 -3.246 8.149 1.00 0.58 C ATOM 130 O GLY A 58 0.342 -2.081 8.419 1.00 1.09 O ATOM 0 H GLY A 58 -0.380 -6.094 7.517 1.00 0.59 H new ATOM 0 HA2 GLY A 58 -0.996 -3.965 9.433 1.00 0.62 H new ATOM 0 HA3 GLY A 58 0.418 -5.001 9.402 1.00 0.62 H new ATOM 134 N GLU A 59 1.565 -3.580 7.333 1.00 0.51 N ATOM 135 CA GLU A 59 2.431 -2.531 6.691 1.00 0.42 C ATOM 136 C GLU A 59 1.624 -1.654 5.715 1.00 0.36 C ATOM 137 O GLU A 59 0.513 -1.977 5.326 1.00 0.45 O ATOM 138 CB GLU A 59 3.579 -3.212 5.929 1.00 0.44 C ATOM 139 CG GLU A 59 4.926 -2.679 6.440 1.00 0.77 C ATOM 140 CD GLU A 59 5.393 -1.508 5.570 1.00 1.06 C ATOM 141 OE1 GLU A 59 4.833 -0.431 5.708 1.00 1.53 O ATOM 142 OE2 GLU A 59 6.305 -1.705 4.788 1.00 1.87 O ATOM 0 H GLU A 59 1.801 -4.540 7.082 1.00 0.51 H new ATOM 0 HA GLU A 59 2.827 -1.890 7.479 1.00 0.42 H new ATOM 0 HB2 GLU A 59 3.529 -4.292 6.065 1.00 0.44 H new ATOM 0 HB3 GLU A 59 3.483 -3.021 4.860 1.00 0.44 H new ATOM 0 HG2 GLU A 59 4.828 -2.356 7.476 1.00 0.77 H new ATOM 0 HG3 GLU A 59 5.671 -3.475 6.423 1.00 0.77 H new ATOM 149 N GLN A 60 2.203 -0.550 5.309 1.00 0.36 N ATOM 150 CA GLN A 60 1.528 0.380 4.348 1.00 0.37 C ATOM 151 C GLN A 60 1.890 -0.029 2.913 1.00 0.34 C ATOM 152 O GLN A 60 3.049 -0.051 2.539 1.00 0.38 O ATOM 153 CB GLN A 60 2.019 1.811 4.617 1.00 0.43 C ATOM 154 CG GLN A 60 0.963 2.832 4.166 1.00 0.53 C ATOM 155 CD GLN A 60 0.996 4.047 5.100 1.00 0.81 C ATOM 156 OE1 GLN A 60 0.805 3.916 6.289 1.00 1.43 O ATOM 157 NE2 GLN A 60 1.231 5.233 4.613 1.00 0.95 N ATOM 0 H GLN A 60 3.131 -0.249 5.608 1.00 0.36 H new ATOM 0 HA GLN A 60 0.446 0.333 4.475 1.00 0.37 H new ATOM 0 HB2 GLN A 60 2.226 1.938 5.680 1.00 0.43 H new ATOM 0 HB3 GLN A 60 2.955 1.987 4.086 1.00 0.43 H new ATOM 0 HG2 GLN A 60 1.158 3.143 3.140 1.00 0.53 H new ATOM 0 HG3 GLN A 60 -0.027 2.377 4.179 1.00 0.53 H new ATOM 0 HE21 GLN A 60 1.393 5.351 3.613 1.00 0.95 H new ATOM 0 HE22 GLN A 60 1.253 6.043 5.232 1.00 0.95 H new ATOM 166 N CYS A 61 0.913 -0.355 2.102 1.00 0.33 N ATOM 167 CA CYS A 61 1.219 -0.766 0.690 1.00 0.35 C ATOM 168 C CYS A 61 1.413 0.468 -0.205 1.00 0.33 C ATOM 169 O CYS A 61 1.989 0.380 -1.278 1.00 0.33 O ATOM 170 CB CYS A 61 0.085 -1.642 0.144 1.00 0.44 C ATOM 171 SG CYS A 61 -1.242 -0.602 -0.522 1.00 0.49 S ATOM 0 H CYS A 61 -0.076 -0.355 2.351 1.00 0.33 H new ATOM 0 HA CYS A 61 2.146 -1.339 0.688 1.00 0.35 H new ATOM 0 HB2 CYS A 61 0.467 -2.301 -0.636 1.00 0.44 H new ATOM 0 HB3 CYS A 61 -0.306 -2.280 0.937 1.00 0.44 H new ATOM 176 N ALA A 62 0.952 1.615 0.232 1.00 0.33 N ATOM 177 CA ALA A 62 1.106 2.866 -0.575 1.00 0.34 C ATOM 178 C ALA A 62 0.692 4.088 0.262 1.00 0.38 C ATOM 179 O ALA A 62 -0.192 4.006 1.097 1.00 0.45 O ATOM 180 CB ALA A 62 0.214 2.779 -1.819 1.00 0.35 C ATOM 0 H ALA A 62 0.471 1.739 1.123 1.00 0.33 H new ATOM 0 HA ALA A 62 2.149 2.973 -0.873 1.00 0.34 H new ATOM 0 HB1 ALA A 62 0.323 3.689 -2.410 1.00 0.35 H new ATOM 0 HB2 ALA A 62 0.510 1.919 -2.419 1.00 0.35 H new ATOM 0 HB3 ALA A 62 -0.826 2.668 -1.514 1.00 0.35 H new ATOM 186 N VAL A 63 1.317 5.221 0.036 1.00 0.39 N ATOM 187 CA VAL A 63 0.951 6.456 0.805 1.00 0.42 C ATOM 188 C VAL A 63 0.001 7.321 -0.035 1.00 0.26 C ATOM 189 O VAL A 63 0.096 7.366 -1.250 1.00 0.50 O ATOM 190 CB VAL A 63 2.207 7.269 1.172 1.00 0.58 C ATOM 191 CG1 VAL A 63 3.236 6.361 1.845 1.00 0.99 C ATOM 192 CG2 VAL A 63 2.832 7.886 -0.083 1.00 0.59 C ATOM 0 H VAL A 63 2.064 5.344 -0.647 1.00 0.39 H new ATOM 0 HA VAL A 63 0.456 6.155 1.728 1.00 0.42 H new ATOM 0 HB VAL A 63 1.912 8.065 1.856 1.00 0.58 H new ATOM 0 HG11 VAL A 63 4.122 6.942 2.102 1.00 0.99 H new ATOM 0 HG12 VAL A 63 2.807 5.934 2.751 1.00 0.99 H new ATOM 0 HG13 VAL A 63 3.514 5.558 1.162 1.00 0.99 H new ATOM 0 HG21 VAL A 63 3.718 8.457 0.195 1.00 0.59 H new ATOM 0 HG22 VAL A 63 3.113 7.094 -0.776 1.00 0.59 H new ATOM 0 HG23 VAL A 63 2.110 8.547 -0.562 1.00 0.59 H new ATOM 202 N ARG A 64 -0.913 8.004 0.609 1.00 0.45 N ATOM 203 CA ARG A 64 -1.888 8.871 -0.128 1.00 0.39 C ATOM 204 C ARG A 64 -1.927 10.265 0.523 1.00 0.39 C ATOM 205 O ARG A 64 -2.667 10.501 1.465 1.00 0.59 O ATOM 206 CB ARG A 64 -3.273 8.211 -0.061 1.00 0.61 C ATOM 207 CG ARG A 64 -4.365 9.193 -0.518 1.00 1.33 C ATOM 208 CD ARG A 64 -5.697 8.914 0.208 1.00 1.68 C ATOM 209 NE ARG A 64 -5.491 7.982 1.367 1.00 2.30 N ATOM 210 CZ ARG A 64 -5.326 8.445 2.574 1.00 2.84 C ATOM 211 NH1 ARG A 64 -4.482 9.407 2.800 1.00 3.58 N ATOM 212 NH2 ARG A 64 -5.995 7.935 3.559 1.00 3.11 N ATOM 0 H ARG A 64 -1.027 7.999 1.623 1.00 0.45 H new ATOM 0 HA ARG A 64 -1.587 8.983 -1.170 1.00 0.39 H new ATOM 0 HB2 ARG A 64 -3.289 7.322 -0.692 1.00 0.61 H new ATOM 0 HB3 ARG A 64 -3.476 7.882 0.958 1.00 0.61 H new ATOM 0 HG2 ARG A 64 -4.046 10.216 -0.319 1.00 1.33 H new ATOM 0 HG3 ARG A 64 -4.509 9.107 -1.595 1.00 1.33 H new ATOM 0 HD2 ARG A 64 -6.126 9.851 0.562 1.00 1.68 H new ATOM 0 HD3 ARG A 64 -6.412 8.480 -0.490 1.00 1.68 H new ATOM 0 HE ARG A 64 -5.480 6.975 1.208 1.00 2.30 H new ATOM 0 HH11 ARG A 64 -3.944 9.805 2.030 1.00 3.58 H new ATOM 0 HH12 ARG A 64 -4.358 9.765 3.747 1.00 3.58 H new ATOM 0 HH21 ARG A 64 -6.650 7.172 3.390 1.00 3.11 H new ATOM 0 HH22 ARG A 64 -5.867 8.297 4.504 1.00 3.11 H new ATOM 226 N LYS A 65 -1.139 11.185 0.022 1.00 0.48 N ATOM 227 CA LYS A 65 -1.123 12.568 0.598 1.00 0.63 C ATOM 228 C LYS A 65 -1.470 13.584 -0.500 1.00 0.86 C ATOM 229 O LYS A 65 -0.723 13.779 -1.445 1.00 1.70 O ATOM 230 CB LYS A 65 0.261 12.873 1.196 1.00 0.76 C ATOM 231 CG LYS A 65 1.369 12.428 0.232 1.00 0.86 C ATOM 232 CD LYS A 65 2.560 13.383 0.347 1.00 1.05 C ATOM 233 CE LYS A 65 3.821 12.690 -0.170 1.00 1.83 C ATOM 234 NZ LYS A 65 4.996 13.589 0.025 1.00 2.47 N ATOM 0 H LYS A 65 -0.504 11.038 -0.763 1.00 0.48 H new ATOM 0 HA LYS A 65 -1.865 12.639 1.393 1.00 0.63 H new ATOM 0 HB2 LYS A 65 0.351 13.941 1.396 1.00 0.76 H new ATOM 0 HB3 LYS A 65 0.373 12.360 2.151 1.00 0.76 H new ATOM 0 HG2 LYS A 65 1.682 11.410 0.465 1.00 0.86 H new ATOM 0 HG3 LYS A 65 0.994 12.419 -0.791 1.00 0.86 H new ATOM 0 HD2 LYS A 65 2.369 14.290 -0.227 1.00 1.05 H new ATOM 0 HD3 LYS A 65 2.698 13.686 1.385 1.00 1.05 H new ATOM 0 HE2 LYS A 65 3.976 11.750 0.360 1.00 1.83 H new ATOM 0 HE3 LYS A 65 3.708 12.445 -1.226 1.00 1.83 H new ATOM 0 HZ1 LYS A 65 5.855 13.119 -0.326 1.00 2.47 H new ATOM 0 HZ2 LYS A 65 4.847 14.474 -0.500 1.00 2.47 H new ATOM 0 HZ3 LYS A 65 5.107 13.801 1.037 1.00 2.47 H new ATOM 248 N GLY A 66 -2.612 14.221 -0.386 1.00 1.04 N ATOM 249 CA GLY A 66 -3.037 15.217 -1.421 1.00 1.27 C ATOM 250 C GLY A 66 -3.334 14.491 -2.737 1.00 1.25 C ATOM 251 O GLY A 66 -3.960 13.447 -2.750 1.00 1.76 O ATOM 0 H GLY A 66 -3.270 14.093 0.383 1.00 1.04 H new ATOM 0 HA2 GLY A 66 -3.923 15.754 -1.082 1.00 1.27 H new ATOM 0 HA3 GLY A 66 -2.252 15.958 -1.571 1.00 1.27 H new ATOM 255 N ALA A 67 -2.886 15.031 -3.841 1.00 1.22 N ATOM 256 CA ALA A 67 -3.140 14.374 -5.162 1.00 1.42 C ATOM 257 C ALA A 67 -1.908 13.543 -5.577 1.00 0.91 C ATOM 258 O ALA A 67 -1.401 13.667 -6.680 1.00 1.34 O ATOM 259 CB ALA A 67 -3.435 15.457 -6.210 1.00 2.07 C ATOM 0 H ALA A 67 -2.354 15.900 -3.887 1.00 1.22 H new ATOM 0 HA ALA A 67 -3.997 13.705 -5.086 1.00 1.42 H new ATOM 0 HB1 ALA A 67 -3.621 14.987 -7.176 1.00 2.07 H new ATOM 0 HB2 ALA A 67 -4.314 16.026 -5.908 1.00 2.07 H new ATOM 0 HB3 ALA A 67 -2.579 16.127 -6.291 1.00 2.07 H new ATOM 265 N ARG A 68 -1.422 12.696 -4.701 1.00 0.53 N ATOM 266 CA ARG A 68 -0.229 11.860 -5.042 1.00 0.80 C ATOM 267 C ARG A 68 -0.228 10.561 -4.218 1.00 0.71 C ATOM 268 O ARG A 68 -0.237 10.584 -2.997 1.00 1.00 O ATOM 269 CB ARG A 68 1.048 12.657 -4.749 1.00 1.38 C ATOM 270 CG ARG A 68 2.180 12.181 -5.667 1.00 1.89 C ATOM 271 CD ARG A 68 2.345 13.162 -6.832 1.00 2.64 C ATOM 272 NE ARG A 68 1.544 12.687 -8.001 1.00 3.11 N ATOM 273 CZ ARG A 68 1.071 13.539 -8.856 1.00 3.73 C ATOM 274 NH1 ARG A 68 -0.079 14.098 -8.644 1.00 4.43 N ATOM 275 NH2 ARG A 68 1.751 13.830 -9.918 1.00 3.93 N ATOM 0 H ARG A 68 -1.800 12.548 -3.765 1.00 0.53 H new ATOM 0 HA ARG A 68 -0.269 11.601 -6.100 1.00 0.80 H new ATOM 0 HB2 ARG A 68 0.867 13.721 -4.902 1.00 1.38 H new ATOM 0 HB3 ARG A 68 1.336 12.529 -3.705 1.00 1.38 H new ATOM 0 HG2 ARG A 68 3.111 12.108 -5.105 1.00 1.89 H new ATOM 0 HG3 ARG A 68 1.958 11.184 -6.047 1.00 1.89 H new ATOM 0 HD2 ARG A 68 2.016 14.157 -6.533 1.00 2.64 H new ATOM 0 HD3 ARG A 68 3.397 13.243 -7.107 1.00 2.64 H new ATOM 0 HE ARG A 68 1.369 11.690 -8.126 1.00 3.11 H new ATOM 0 HH11 ARG A 68 -0.611 13.867 -7.805 1.00 4.43 H new ATOM 0 HH12 ARG A 68 -0.452 14.768 -9.316 1.00 4.43 H new ATOM 0 HH21 ARG A 68 2.656 13.389 -10.080 1.00 3.93 H new ATOM 0 HH22 ARG A 68 1.381 14.500 -10.593 1.00 3.93 H new ATOM 289 N ILE A 69 -0.203 9.430 -4.885 1.00 0.51 N ATOM 290 CA ILE A 69 -0.182 8.120 -4.162 1.00 0.43 C ATOM 291 C ILE A 69 1.208 7.485 -4.329 1.00 0.46 C ATOM 292 O ILE A 69 1.715 7.360 -5.430 1.00 0.60 O ATOM 293 CB ILE A 69 -1.259 7.180 -4.730 1.00 0.47 C ATOM 294 CG1 ILE A 69 -2.604 7.919 -4.834 1.00 0.50 C ATOM 295 CG2 ILE A 69 -1.420 5.963 -3.808 1.00 0.49 C ATOM 296 CD1 ILE A 69 -3.073 8.361 -3.444 1.00 0.52 C ATOM 0 H ILE A 69 -0.196 9.359 -5.903 1.00 0.51 H new ATOM 0 HA ILE A 69 -0.391 8.284 -3.105 1.00 0.43 H new ATOM 0 HB ILE A 69 -0.952 6.851 -5.723 1.00 0.47 H new ATOM 0 HG12 ILE A 69 -2.501 8.788 -5.484 1.00 0.50 H new ATOM 0 HG13 ILE A 69 -3.351 7.268 -5.288 1.00 0.50 H new ATOM 0 HG21 ILE A 69 -2.184 5.299 -4.212 1.00 0.49 H new ATOM 0 HG22 ILE A 69 -0.472 5.429 -3.742 1.00 0.49 H new ATOM 0 HG23 ILE A 69 -1.719 6.296 -2.814 1.00 0.49 H new ATOM 0 HD11 ILE A 69 -4.026 8.883 -3.530 1.00 0.52 H new ATOM 0 HD12 ILE A 69 -3.195 7.486 -2.806 1.00 0.52 H new ATOM 0 HD13 ILE A 69 -2.332 9.029 -3.005 1.00 0.52 H new ATOM 308 N GLY A 70 1.826 7.097 -3.241 1.00 0.44 N ATOM 309 CA GLY A 70 3.192 6.483 -3.318 1.00 0.52 C ATOM 310 C GLY A 70 3.120 5.002 -2.949 1.00 0.56 C ATOM 311 O GLY A 70 3.004 4.657 -1.789 1.00 1.02 O ATOM 0 H GLY A 70 1.444 7.178 -2.299 1.00 0.44 H new ATOM 0 HA2 GLY A 70 3.595 6.596 -4.325 1.00 0.52 H new ATOM 0 HA3 GLY A 70 3.872 7.002 -2.642 1.00 0.52 H new ATOM 315 N LYS A 71 3.202 4.127 -3.924 1.00 0.40 N ATOM 316 CA LYS A 71 3.153 2.660 -3.634 1.00 0.38 C ATOM 317 C LYS A 71 4.416 2.249 -2.862 1.00 0.36 C ATOM 318 O LYS A 71 5.499 2.750 -3.113 1.00 0.45 O ATOM 319 CB LYS A 71 3.072 1.884 -4.952 1.00 0.50 C ATOM 320 CG LYS A 71 2.420 0.519 -4.711 1.00 0.69 C ATOM 321 CD LYS A 71 3.444 -0.590 -4.969 1.00 1.07 C ATOM 322 CE LYS A 71 2.721 -1.928 -5.135 1.00 0.98 C ATOM 323 NZ LYS A 71 2.832 -2.387 -6.552 1.00 1.81 N ATOM 0 H LYS A 71 3.301 4.368 -4.910 1.00 0.40 H new ATOM 0 HA LYS A 71 2.275 2.434 -3.030 1.00 0.38 H new ATOM 0 HB2 LYS A 71 2.494 2.450 -5.683 1.00 0.50 H new ATOM 0 HB3 LYS A 71 4.070 1.752 -5.369 1.00 0.50 H new ATOM 0 HG2 LYS A 71 2.051 0.456 -3.687 1.00 0.69 H new ATOM 0 HG3 LYS A 71 1.560 0.394 -5.368 1.00 0.69 H new ATOM 0 HD2 LYS A 71 4.022 -0.364 -5.865 1.00 1.07 H new ATOM 0 HD3 LYS A 71 4.150 -0.647 -4.140 1.00 1.07 H new ATOM 0 HE2 LYS A 71 3.154 -2.672 -4.466 1.00 0.98 H new ATOM 0 HE3 LYS A 71 1.672 -1.823 -4.858 1.00 0.98 H new ATOM 0 HZ1 LYS A 71 2.671 -3.413 -6.598 1.00 1.81 H new ATOM 0 HZ2 LYS A 71 2.120 -1.899 -7.132 1.00 1.81 H new ATOM 0 HZ3 LYS A 71 3.782 -2.169 -6.914 1.00 1.81 H new ATOM 337 N LEU A 72 4.281 1.353 -1.916 1.00 0.34 N ATOM 338 CA LEU A 72 5.466 0.918 -1.108 1.00 0.38 C ATOM 339 C LEU A 72 5.726 -0.585 -1.309 1.00 0.38 C ATOM 340 O LEU A 72 6.827 -0.992 -1.626 1.00 0.61 O ATOM 341 CB LEU A 72 5.206 1.201 0.384 1.00 0.42 C ATOM 342 CG LEU A 72 4.399 2.497 0.548 1.00 0.39 C ATOM 343 CD1 LEU A 72 4.011 2.682 2.012 1.00 0.59 C ATOM 344 CD2 LEU A 72 5.239 3.693 0.107 1.00 0.59 C ATOM 0 H LEU A 72 3.401 0.902 -1.667 1.00 0.34 H new ATOM 0 HA LEU A 72 6.342 1.476 -1.439 1.00 0.38 H new ATOM 0 HB2 LEU A 72 4.663 0.368 0.830 1.00 0.42 H new ATOM 0 HB3 LEU A 72 6.154 1.285 0.916 1.00 0.42 H new ATOM 0 HG LEU A 72 3.502 2.431 -0.068 1.00 0.39 H new ATOM 0 HD11 LEU A 72 3.439 3.603 2.123 1.00 0.59 H new ATOM 0 HD12 LEU A 72 3.405 1.837 2.337 1.00 0.59 H new ATOM 0 HD13 LEU A 72 4.912 2.739 2.623 1.00 0.59 H new ATOM 0 HD21 LEU A 72 4.659 4.608 0.226 1.00 0.59 H new ATOM 0 HD22 LEU A 72 6.139 3.751 0.719 1.00 0.59 H new ATOM 0 HD23 LEU A 72 5.519 3.575 -0.940 1.00 0.59 H new ATOM 356 N CYS A 73 4.721 -1.409 -1.119 1.00 0.42 N ATOM 357 CA CYS A 73 4.905 -2.889 -1.284 1.00 0.41 C ATOM 358 C CYS A 73 3.663 -3.503 -1.952 1.00 0.39 C ATOM 359 O CYS A 73 2.554 -3.025 -1.778 1.00 0.57 O ATOM 360 CB CYS A 73 5.126 -3.529 0.095 1.00 0.48 C ATOM 361 SG CYS A 73 4.539 -2.400 1.389 1.00 0.97 S ATOM 0 H CYS A 73 3.779 -1.120 -0.856 1.00 0.42 H new ATOM 0 HA CYS A 73 5.773 -3.077 -1.917 1.00 0.41 H new ATOM 0 HB2 CYS A 73 4.593 -4.478 0.157 1.00 0.48 H new ATOM 0 HB3 CYS A 73 6.184 -3.747 0.241 1.00 0.48 H new ATOM 366 N ASP A 74 3.844 -4.558 -2.716 1.00 0.34 N ATOM 367 CA ASP A 74 2.688 -5.215 -3.411 1.00 0.42 C ATOM 368 C ASP A 74 1.794 -5.921 -2.381 1.00 0.42 C ATOM 369 O ASP A 74 2.273 -6.626 -1.515 1.00 0.88 O ATOM 370 CB ASP A 74 3.226 -6.237 -4.425 1.00 0.52 C ATOM 371 CG ASP A 74 3.601 -5.537 -5.735 1.00 0.93 C ATOM 372 OD1 ASP A 74 2.763 -4.828 -6.273 1.00 1.32 O ATOM 373 OD2 ASP A 74 4.721 -5.718 -6.182 1.00 1.43 O ATOM 0 H ASP A 74 4.750 -4.994 -2.888 1.00 0.34 H new ATOM 0 HA ASP A 74 2.097 -4.461 -3.931 1.00 0.42 H new ATOM 0 HB2 ASP A 74 4.098 -6.744 -4.013 1.00 0.52 H new ATOM 0 HB3 ASP A 74 2.473 -7.002 -4.616 1.00 0.52 H new ATOM 378 N CYS A 75 0.499 -5.735 -2.464 1.00 0.54 N ATOM 379 CA CYS A 75 -0.419 -6.396 -1.476 1.00 0.58 C ATOM 380 C CYS A 75 -0.453 -7.914 -1.703 1.00 0.54 C ATOM 381 O CYS A 75 -0.449 -8.370 -2.834 1.00 0.54 O ATOM 382 CB CYS A 75 -1.837 -5.834 -1.620 1.00 0.76 C ATOM 383 SG CYS A 75 -1.925 -4.239 -0.776 1.00 0.85 S ATOM 0 H CYS A 75 0.037 -5.158 -3.167 1.00 0.54 H new ATOM 0 HA CYS A 75 -0.044 -6.193 -0.473 1.00 0.58 H new ATOM 0 HB2 CYS A 75 -2.091 -5.717 -2.674 1.00 0.76 H new ATOM 0 HB3 CYS A 75 -2.562 -6.527 -1.193 1.00 0.76 H new ATOM 388 N PRO A 76 -0.502 -8.653 -0.614 1.00 0.56 N ATOM 389 CA PRO A 76 -0.562 -10.138 -0.640 1.00 0.58 C ATOM 390 C PRO A 76 -1.795 -10.593 -1.434 1.00 0.51 C ATOM 391 O PRO A 76 -2.863 -10.003 -1.320 1.00 0.51 O ATOM 392 CB PRO A 76 -0.665 -10.585 0.825 1.00 0.64 C ATOM 393 CG PRO A 76 -0.657 -9.317 1.699 1.00 0.68 C ATOM 394 CD PRO A 76 -0.508 -8.108 0.767 1.00 0.63 C ATOM 0 HA PRO A 76 0.315 -10.573 -1.120 1.00 0.58 H new ATOM 0 HB2 PRO A 76 -1.579 -11.157 0.988 1.00 0.64 H new ATOM 0 HB3 PRO A 76 0.169 -11.236 1.087 1.00 0.64 H new ATOM 0 HG2 PRO A 76 -1.579 -9.244 2.275 1.00 0.68 H new ATOM 0 HG3 PRO A 76 0.164 -9.351 2.415 1.00 0.68 H new ATOM 0 HD2 PRO A 76 -1.330 -7.405 0.905 1.00 0.63 H new ATOM 0 HD3 PRO A 76 0.414 -7.566 0.976 1.00 0.63 H new ATOM 402 N ARG A 77 -1.654 -11.626 -2.239 1.00 0.53 N ATOM 403 CA ARG A 77 -2.812 -12.121 -3.057 1.00 0.54 C ATOM 404 C ARG A 77 -4.066 -12.232 -2.170 1.00 0.49 C ATOM 405 O ARG A 77 -4.031 -12.784 -1.079 1.00 0.53 O ATOM 406 CB ARG A 77 -2.433 -13.469 -3.720 1.00 0.62 C ATOM 407 CG ARG A 77 -3.184 -14.664 -3.102 1.00 0.63 C ATOM 408 CD ARG A 77 -2.199 -15.551 -2.335 1.00 1.01 C ATOM 409 NE ARG A 77 -1.967 -14.977 -0.975 1.00 1.51 N ATOM 410 CZ ARG A 77 -2.688 -15.365 0.033 1.00 2.29 C ATOM 411 NH1 ARG A 77 -2.382 -16.453 0.664 1.00 3.18 N ATOM 412 NH2 ARG A 77 -3.711 -14.664 0.399 1.00 2.68 N ATOM 0 H ARG A 77 -0.786 -12.147 -2.364 1.00 0.53 H new ATOM 0 HA ARG A 77 -3.044 -11.416 -3.855 1.00 0.54 H new ATOM 0 HB2 ARG A 77 -2.652 -13.419 -4.787 1.00 0.62 H new ATOM 0 HB3 ARG A 77 -1.359 -13.629 -3.622 1.00 0.62 H new ATOM 0 HG2 ARG A 77 -3.966 -14.307 -2.431 1.00 0.63 H new ATOM 0 HG3 ARG A 77 -3.675 -15.242 -3.885 1.00 0.63 H new ATOM 0 HD2 ARG A 77 -2.594 -16.564 -2.252 1.00 1.01 H new ATOM 0 HD3 ARG A 77 -1.256 -15.620 -2.878 1.00 1.01 H new ATOM 0 HE ARG A 77 -1.238 -14.277 -0.838 1.00 1.51 H new ATOM 0 HH11 ARG A 77 -1.576 -17.004 0.369 1.00 3.18 H new ATOM 0 HH12 ARG A 77 -2.947 -16.759 1.456 1.00 3.18 H new ATOM 0 HH21 ARG A 77 -3.950 -13.809 -0.104 1.00 2.68 H new ATOM 0 HH22 ARG A 77 -4.279 -14.966 1.190 1.00 2.68 H new ATOM 426 N GLY A 78 -5.164 -11.677 -2.620 1.00 0.55 N ATOM 427 CA GLY A 78 -6.420 -11.708 -1.805 1.00 0.62 C ATOM 428 C GLY A 78 -6.633 -10.342 -1.137 1.00 0.55 C ATOM 429 O GLY A 78 -7.741 -9.984 -0.793 1.00 0.60 O ATOM 0 H GLY A 78 -5.246 -11.202 -3.519 1.00 0.55 H new ATOM 0 HA2 GLY A 78 -7.272 -11.951 -2.440 1.00 0.62 H new ATOM 0 HA3 GLY A 78 -6.355 -12.489 -1.047 1.00 0.62 H new ATOM 433 N THR A 79 -5.577 -9.579 -0.959 1.00 0.49 N ATOM 434 CA THR A 79 -5.706 -8.229 -0.320 1.00 0.47 C ATOM 435 C THR A 79 -5.484 -7.135 -1.376 1.00 0.61 C ATOM 436 O THR A 79 -4.675 -7.284 -2.278 1.00 1.16 O ATOM 437 CB THR A 79 -4.661 -8.076 0.798 1.00 0.55 C ATOM 438 OG1 THR A 79 -3.360 -7.923 0.234 1.00 0.71 O ATOM 439 CG2 THR A 79 -4.677 -9.307 1.705 1.00 0.59 C ATOM 0 H THR A 79 -4.628 -9.836 -1.231 1.00 0.49 H new ATOM 0 HA THR A 79 -6.705 -8.131 0.104 1.00 0.47 H new ATOM 0 HB THR A 79 -4.908 -7.191 1.385 1.00 0.55 H new ATOM 0 HG1 THR A 79 -3.230 -8.589 -0.473 1.00 0.71 H new ATOM 0 HG21 THR A 79 -3.933 -9.188 2.493 1.00 0.59 H new ATOM 0 HG22 THR A 79 -5.665 -9.417 2.152 1.00 0.59 H new ATOM 0 HG23 THR A 79 -4.444 -10.195 1.117 1.00 0.59 H new ATOM 447 N SER A 80 -6.191 -6.040 -1.267 1.00 0.38 N ATOM 448 CA SER A 80 -6.029 -4.926 -2.258 1.00 0.46 C ATOM 449 C SER A 80 -5.430 -3.691 -1.571 1.00 0.52 C ATOM 450 O SER A 80 -5.563 -3.504 -0.373 1.00 1.46 O ATOM 451 CB SER A 80 -7.397 -4.561 -2.845 1.00 0.57 C ATOM 452 OG SER A 80 -7.235 -3.509 -3.796 1.00 1.39 O ATOM 0 H SER A 80 -6.877 -5.866 -0.533 1.00 0.38 H new ATOM 0 HA SER A 80 -5.360 -5.255 -3.053 1.00 0.46 H new ATOM 0 HB2 SER A 80 -7.845 -5.432 -3.322 1.00 0.57 H new ATOM 0 HB3 SER A 80 -8.075 -4.248 -2.051 1.00 0.57 H new ATOM 0 HG SER A 80 -8.107 -3.274 -4.175 1.00 1.39 H new ATOM 458 N CYS A 81 -4.781 -2.838 -2.327 1.00 0.58 N ATOM 459 CA CYS A 81 -4.185 -1.602 -1.730 1.00 0.43 C ATOM 460 C CYS A 81 -5.317 -0.654 -1.323 1.00 0.41 C ATOM 461 O CYS A 81 -5.799 0.135 -2.120 1.00 0.52 O ATOM 462 CB CYS A 81 -3.270 -0.915 -2.750 1.00 0.54 C ATOM 463 SG CYS A 81 -1.546 -1.328 -2.385 1.00 0.98 S ATOM 0 H CYS A 81 -4.639 -2.945 -3.331 1.00 0.58 H new ATOM 0 HA CYS A 81 -3.592 -1.866 -0.854 1.00 0.43 H new ATOM 0 HB2 CYS A 81 -3.527 -1.236 -3.759 1.00 0.54 H new ATOM 0 HB3 CYS A 81 -3.412 0.165 -2.713 1.00 0.54 H new ATOM 468 N ASN A 82 -5.750 -0.734 -0.086 1.00 0.37 N ATOM 469 CA ASN A 82 -6.859 0.146 0.398 1.00 0.50 C ATOM 470 C ASN A 82 -6.363 1.602 0.457 1.00 0.46 C ATOM 471 O ASN A 82 -6.048 2.117 1.508 1.00 0.44 O ATOM 472 CB ASN A 82 -7.304 -0.337 1.788 1.00 0.60 C ATOM 473 CG ASN A 82 -8.826 -0.448 1.831 1.00 0.87 C ATOM 474 OD1 ASN A 82 -9.514 0.545 1.941 1.00 1.57 O ATOM 475 ND2 ASN A 82 -9.392 -1.618 1.747 1.00 1.30 N ATOM 0 H ASN A 82 -5.378 -1.377 0.613 1.00 0.37 H new ATOM 0 HA ASN A 82 -7.709 0.098 -0.282 1.00 0.50 H new ATOM 0 HB2 ASN A 82 -6.853 -1.304 2.009 1.00 0.60 H new ATOM 0 HB3 ASN A 82 -6.959 0.358 2.553 1.00 0.60 H new ATOM 0 HD21 ASN A 82 -10.409 -1.696 1.774 1.00 1.30 H new ATOM 0 HD22 ASN A 82 -8.819 -2.456 1.654 1.00 1.30 H new ATOM 482 N SER A 83 -6.278 2.253 -0.684 1.00 0.52 N ATOM 483 CA SER A 83 -5.782 3.676 -0.747 1.00 0.53 C ATOM 484 C SER A 83 -6.461 4.566 0.307 1.00 0.56 C ATOM 485 O SER A 83 -5.873 5.524 0.786 1.00 0.64 O ATOM 486 CB SER A 83 -6.053 4.249 -2.139 1.00 0.61 C ATOM 487 OG SER A 83 -4.948 5.056 -2.527 1.00 1.33 O ATOM 0 H SER A 83 -6.534 1.855 -1.588 1.00 0.52 H new ATOM 0 HA SER A 83 -4.712 3.665 -0.541 1.00 0.53 H new ATOM 0 HB2 SER A 83 -6.201 3.442 -2.857 1.00 0.61 H new ATOM 0 HB3 SER A 83 -6.968 4.841 -2.132 1.00 0.61 H new ATOM 0 HG SER A 83 -5.111 5.427 -3.419 1.00 1.33 H new ATOM 493 N PHE A 84 -7.682 4.267 0.676 1.00 0.57 N ATOM 494 CA PHE A 84 -8.380 5.105 1.700 1.00 0.61 C ATOM 495 C PHE A 84 -7.711 4.903 3.069 1.00 0.56 C ATOM 496 O PHE A 84 -7.416 5.860 3.764 1.00 0.56 O ATOM 497 CB PHE A 84 -9.858 4.699 1.782 1.00 0.73 C ATOM 498 CG PHE A 84 -10.505 4.821 0.420 1.00 0.80 C ATOM 499 CD1 PHE A 84 -10.452 6.032 -0.282 1.00 1.36 C ATOM 500 CD2 PHE A 84 -11.163 3.719 -0.138 1.00 1.18 C ATOM 501 CE1 PHE A 84 -11.060 6.139 -1.540 1.00 1.59 C ATOM 502 CE2 PHE A 84 -11.769 3.827 -1.394 1.00 1.28 C ATOM 503 CZ PHE A 84 -11.717 5.036 -2.095 1.00 1.25 C ATOM 0 H PHE A 84 -8.224 3.482 0.314 1.00 0.57 H new ATOM 0 HA PHE A 84 -8.313 6.155 1.415 1.00 0.61 H new ATOM 0 HB2 PHE A 84 -9.942 3.674 2.143 1.00 0.73 H new ATOM 0 HB3 PHE A 84 -10.379 5.334 2.499 1.00 0.73 H new ATOM 0 HD1 PHE A 84 -9.943 6.883 0.146 1.00 1.36 H new ATOM 0 HD2 PHE A 84 -11.203 2.784 0.402 1.00 1.18 H new ATOM 0 HE1 PHE A 84 -11.021 7.073 -2.081 1.00 1.59 H new ATOM 0 HE2 PHE A 84 -12.277 2.976 -1.823 1.00 1.28 H new ATOM 0 HZ PHE A 84 -12.184 5.118 -3.065 1.00 1.25 H new ATOM 513 N LEU A 85 -7.463 3.669 3.449 1.00 0.54 N ATOM 514 CA LEU A 85 -6.809 3.383 4.771 1.00 0.54 C ATOM 515 C LEU A 85 -5.288 3.173 4.602 1.00 0.41 C ATOM 516 O LEU A 85 -4.558 3.160 5.575 1.00 0.41 O ATOM 517 CB LEU A 85 -7.431 2.117 5.375 1.00 0.65 C ATOM 518 CG LEU A 85 -8.905 2.373 5.715 1.00 0.85 C ATOM 519 CD1 LEU A 85 -9.788 1.923 4.552 1.00 1.83 C ATOM 520 CD2 LEU A 85 -9.285 1.582 6.967 1.00 1.44 C ATOM 0 H LEU A 85 -7.687 2.842 2.896 1.00 0.54 H new ATOM 0 HA LEU A 85 -6.968 4.236 5.430 1.00 0.54 H new ATOM 0 HB2 LEU A 85 -7.349 1.289 4.671 1.00 0.65 H new ATOM 0 HB3 LEU A 85 -6.886 1.826 6.273 1.00 0.65 H new ATOM 0 HG LEU A 85 -9.051 3.438 5.893 1.00 0.85 H new ATOM 0 HD11 LEU A 85 -10.834 2.106 4.797 1.00 1.83 H new ATOM 0 HD12 LEU A 85 -9.522 2.483 3.655 1.00 1.83 H new ATOM 0 HD13 LEU A 85 -9.639 0.858 4.373 1.00 1.83 H new ATOM 0 HD21 LEU A 85 -10.332 1.764 7.208 1.00 1.44 H new ATOM 0 HD22 LEU A 85 -9.134 0.518 6.785 1.00 1.44 H new ATOM 0 HD23 LEU A 85 -8.660 1.899 7.802 1.00 1.44 H new ATOM 532 N LEU A 86 -4.816 2.995 3.383 1.00 0.34 N ATOM 533 CA LEU A 86 -3.351 2.774 3.129 1.00 0.29 C ATOM 534 C LEU A 86 -2.933 1.390 3.665 1.00 0.28 C ATOM 535 O LEU A 86 -1.871 1.231 4.244 1.00 0.36 O ATOM 536 CB LEU A 86 -2.527 3.873 3.821 1.00 0.35 C ATOM 537 CG LEU A 86 -3.073 5.253 3.447 1.00 0.41 C ATOM 538 CD1 LEU A 86 -2.281 6.328 4.189 1.00 0.48 C ATOM 539 CD2 LEU A 86 -2.929 5.467 1.939 1.00 0.45 C ATOM 0 H LEU A 86 -5.394 2.994 2.543 1.00 0.34 H new ATOM 0 HA LEU A 86 -3.165 2.814 2.056 1.00 0.29 H new ATOM 0 HB2 LEU A 86 -2.564 3.740 4.902 1.00 0.35 H new ATOM 0 HB3 LEU A 86 -1.481 3.795 3.525 1.00 0.35 H new ATOM 0 HG LEU A 86 -4.125 5.316 3.724 1.00 0.41 H new ATOM 0 HD11 LEU A 86 -2.668 7.312 3.925 1.00 0.48 H new ATOM 0 HD12 LEU A 86 -2.380 6.176 5.264 1.00 0.48 H new ATOM 0 HD13 LEU A 86 -1.230 6.264 3.909 1.00 0.48 H new ATOM 0 HD21 LEU A 86 -3.318 6.450 1.672 1.00 0.45 H new ATOM 0 HD22 LEU A 86 -1.877 5.406 1.662 1.00 0.45 H new ATOM 0 HD23 LEU A 86 -3.490 4.698 1.407 1.00 0.45 H new ATOM 551 N LYS A 87 -3.762 0.388 3.473 1.00 0.31 N ATOM 552 CA LYS A 87 -3.420 -0.986 3.975 1.00 0.39 C ATOM 553 C LYS A 87 -3.787 -2.056 2.932 1.00 0.51 C ATOM 554 O LYS A 87 -4.571 -1.819 2.027 1.00 1.07 O ATOM 555 CB LYS A 87 -4.192 -1.246 5.271 1.00 0.48 C ATOM 556 CG LYS A 87 -3.674 -0.306 6.359 1.00 1.23 C ATOM 557 CD LYS A 87 -4.037 -0.857 7.740 1.00 1.27 C ATOM 558 CE LYS A 87 -2.880 -0.601 8.707 1.00 1.44 C ATOM 559 NZ LYS A 87 -2.099 -1.859 8.906 1.00 2.07 N ATOM 0 H LYS A 87 -4.658 0.461 2.992 1.00 0.31 H new ATOM 0 HA LYS A 87 -2.347 -1.041 4.158 1.00 0.39 H new ATOM 0 HB2 LYS A 87 -5.258 -1.086 5.112 1.00 0.48 H new ATOM 0 HB3 LYS A 87 -4.068 -2.284 5.581 1.00 0.48 H new ATOM 0 HG2 LYS A 87 -2.593 -0.198 6.274 1.00 1.23 H new ATOM 0 HG3 LYS A 87 -4.105 0.687 6.229 1.00 1.23 H new ATOM 0 HD2 LYS A 87 -4.945 -0.380 8.107 1.00 1.27 H new ATOM 0 HD3 LYS A 87 -4.242 -1.926 7.675 1.00 1.27 H new ATOM 0 HE2 LYS A 87 -2.232 0.182 8.314 1.00 1.44 H new ATOM 0 HE3 LYS A 87 -3.265 -0.246 9.663 1.00 1.44 H new ATOM 0 HZ1 LYS A 87 -2.357 -2.287 9.818 1.00 2.07 H new ATOM 0 HZ2 LYS A 87 -2.313 -2.526 8.137 1.00 2.07 H new ATOM 0 HZ3 LYS A 87 -1.082 -1.641 8.902 1.00 2.07 H new ATOM 573 N CYS A 88 -3.221 -3.237 3.061 1.00 0.36 N ATOM 574 CA CYS A 88 -3.524 -4.336 2.089 1.00 0.41 C ATOM 575 C CYS A 88 -4.777 -5.090 2.534 1.00 0.45 C ATOM 576 O CYS A 88 -4.704 -6.084 3.237 1.00 0.68 O ATOM 577 CB CYS A 88 -2.347 -5.309 2.014 1.00 0.57 C ATOM 578 SG CYS A 88 -1.036 -4.584 1.004 1.00 1.05 S ATOM 0 H CYS A 88 -2.562 -3.485 3.799 1.00 0.36 H new ATOM 0 HA CYS A 88 -3.692 -3.898 1.105 1.00 0.41 H new ATOM 0 HB2 CYS A 88 -1.974 -5.524 3.015 1.00 0.57 H new ATOM 0 HB3 CYS A 88 -2.671 -6.257 1.584 1.00 0.57 H new ATOM 583 N LEU A 89 -5.918 -4.621 2.115 1.00 0.44 N ATOM 584 CA LEU A 89 -7.200 -5.284 2.479 1.00 0.58 C ATOM 585 C LEU A 89 -8.163 -5.176 1.287 1.00 0.94 C ATOM 586 O LEU A 89 -8.767 -4.128 1.114 1.00 1.57 O ATOM 587 CB LEU A 89 -7.792 -4.598 3.720 1.00 0.90 C ATOM 588 CG LEU A 89 -7.348 -5.341 4.984 1.00 1.78 C ATOM 589 CD1 LEU A 89 -6.625 -4.372 5.919 1.00 2.47 C ATOM 590 CD2 LEU A 89 -8.573 -5.911 5.701 1.00 2.29 C ATOM 591 OXT LEU A 89 -8.250 -6.139 0.540 1.00 1.56 O ATOM 0 H LEU A 89 -6.018 -3.794 1.527 1.00 0.44 H new ATOM 0 HA LEU A 89 -7.035 -6.336 2.712 1.00 0.58 H new ATOM 0 HB2 LEU A 89 -7.465 -3.559 3.764 1.00 0.90 H new ATOM 0 HB3 LEU A 89 -8.880 -4.587 3.657 1.00 0.90 H new ATOM 0 HG LEU A 89 -6.676 -6.153 4.706 1.00 1.78 H new ATOM 0 HD11 LEU A 89 -6.309 -4.901 6.818 1.00 2.47 H new ATOM 0 HD12 LEU A 89 -5.751 -3.962 5.413 1.00 2.47 H new ATOM 0 HD13 LEU A 89 -7.299 -3.560 6.193 1.00 2.47 H new ATOM 0 HD21 LEU A 89 -8.255 -6.439 6.600 1.00 2.29 H new ATOM 0 HD22 LEU A 89 -9.245 -5.098 5.976 1.00 2.29 H new ATOM 0 HD23 LEU A 89 -9.093 -6.603 5.038 1.00 2.29 H new