USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 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 Set 1.1: A 75 THR OG1 : rot 15:sc= -0.0448 USER MOD Set 1.2: A 79 TYR OH : rot 11:sc= 1.98 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.189 K(o=0.091,f=-2.8!) USER MOD Set 2.2: A 65 THR OG1 : rot -73:sc= 0.28 USER MOD Single : A 6 SER OG : rot 120:sc= -0.814 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -160:sc= -0.0254 (180deg=-0.184) USER MOD Single : A 41 THR OG1 : rot -61:sc= 0.173 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 162:sc= -0.841 (180deg=-2.11!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0983 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 140:sc= -0.925 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -122:sc= 1.25 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 9.246 3.420 -5.220 1.00 0.87 N ATOM 57 CA LEU A 4 9.172 2.187 -5.984 1.00 0.63 C ATOM 58 C LEU A 4 9.091 2.519 -7.475 1.00 0.60 C ATOM 59 O LEU A 4 8.733 3.636 -7.848 1.00 0.66 O ATOM 60 CB LEU A 4 8.017 1.317 -5.485 1.00 0.82 C ATOM 61 CG LEU A 4 6.655 1.569 -6.137 1.00 0.58 C ATOM 62 CD1 LEU A 4 6.376 3.068 -6.259 1.00 0.74 C ATOM 63 CD2 LEU A 4 6.554 0.856 -7.488 1.00 0.70 C ATOM 0 HA LEU A 4 10.075 1.594 -5.838 1.00 0.63 H new ATOM 0 HB2 LEU A 4 8.283 0.271 -5.639 1.00 0.82 H new ATOM 0 HB3 LEU A 4 7.916 1.465 -4.410 1.00 0.82 H new ATOM 0 HG LEU A 4 5.884 1.148 -5.492 1.00 0.58 H new ATOM 0 HD11 LEU A 4 5.403 3.220 -6.725 1.00 0.74 H new ATOM 0 HD12 LEU A 4 6.378 3.520 -5.267 1.00 0.74 H new ATOM 0 HD13 LEU A 4 7.148 3.533 -6.872 1.00 0.74 H new ATOM 0 HD21 LEU A 4 5.577 1.051 -7.930 1.00 0.70 H new ATOM 0 HD22 LEU A 4 7.334 1.226 -8.154 1.00 0.70 H new ATOM 0 HD23 LEU A 4 6.679 -0.217 -7.343 1.00 0.70 H new ATOM 75 N VAL A 5 9.429 1.530 -8.289 1.00 0.58 N ATOM 76 CA VAL A 5 9.399 1.703 -9.731 1.00 0.61 C ATOM 77 C VAL A 5 7.990 2.112 -10.162 1.00 0.56 C ATOM 78 O VAL A 5 7.708 3.297 -10.334 1.00 0.69 O ATOM 79 CB VAL A 5 9.891 0.428 -10.422 1.00 0.63 C ATOM 80 CG1 VAL A 5 9.765 0.546 -11.942 1.00 0.75 C ATOM 81 CG2 VAL A 5 11.328 0.103 -10.013 1.00 0.73 C ATOM 0 H VAL A 5 9.725 0.605 -7.977 1.00 0.58 H new ATOM 0 HA VAL A 5 10.076 2.502 -10.034 1.00 0.61 H new ATOM 0 HB VAL A 5 9.257 -0.397 -10.097 1.00 0.63 H new ATOM 0 HG11 VAL A 5 10.121 -0.372 -12.409 1.00 0.75 H new ATOM 0 HG12 VAL A 5 8.721 0.708 -12.209 1.00 0.75 H new ATOM 0 HG13 VAL A 5 10.364 1.387 -12.293 1.00 0.75 H new ATOM 0 HG21 VAL A 5 11.653 -0.807 -10.518 1.00 0.73 H new ATOM 0 HG22 VAL A 5 11.982 0.928 -10.295 1.00 0.73 H new ATOM 0 HG23 VAL A 5 11.375 -0.044 -8.934 1.00 0.73 H new ATOM 91 N SER A 6 7.140 1.107 -10.326 1.00 0.46 N ATOM 92 CA SER A 6 5.768 1.348 -10.734 1.00 0.42 C ATOM 93 C SER A 6 4.813 0.520 -9.871 1.00 0.39 C ATOM 94 O SER A 6 5.168 -0.564 -9.412 1.00 0.40 O ATOM 95 CB SER A 6 5.567 1.017 -12.215 1.00 0.42 C ATOM 96 OG SER A 6 6.704 1.368 -12.999 1.00 0.54 O ATOM 0 H SER A 6 7.377 0.125 -10.183 1.00 0.46 H new ATOM 0 HA SER A 6 5.550 2.407 -10.594 1.00 0.42 H new ATOM 0 HB2 SER A 6 5.366 -0.049 -12.324 1.00 0.42 H new ATOM 0 HB3 SER A 6 4.691 1.547 -12.589 1.00 0.42 H new ATOM 0 HG SER A 6 7.060 0.566 -13.436 1.00 0.54 H new ATOM 102 N SER A 7 3.619 1.063 -9.679 1.00 0.36 N ATOM 103 CA SER A 7 2.612 0.388 -8.879 1.00 0.34 C ATOM 104 C SER A 7 1.218 0.893 -9.259 1.00 0.33 C ATOM 105 O SER A 7 1.086 1.919 -9.923 1.00 0.34 O ATOM 106 CB SER A 7 2.862 0.597 -7.384 1.00 0.37 C ATOM 107 OG SER A 7 2.858 1.978 -7.030 1.00 0.41 O ATOM 0 H SER A 7 3.327 1.962 -10.063 1.00 0.36 H new ATOM 0 HA SER A 7 2.674 -0.681 -9.083 1.00 0.34 H new ATOM 0 HB2 SER A 7 2.096 0.074 -6.812 1.00 0.37 H new ATOM 0 HB3 SER A 7 3.821 0.156 -7.111 1.00 0.37 H new ATOM 0 HG SER A 7 3.019 2.069 -6.068 1.00 0.41 H new ATOM 113 N THR A 8 0.213 0.147 -8.821 1.00 0.32 N ATOM 114 CA THR A 8 -1.165 0.507 -9.107 1.00 0.32 C ATOM 115 C THR A 8 -2.039 0.294 -7.870 1.00 0.32 C ATOM 116 O THR A 8 -2.998 -0.475 -7.908 1.00 0.32 O ATOM 117 CB THR A 8 -1.623 -0.304 -10.321 1.00 0.34 C ATOM 118 OG1 THR A 8 -0.701 0.057 -11.347 1.00 0.50 O ATOM 119 CG2 THR A 8 -2.978 0.162 -10.859 1.00 0.52 C ATOM 0 H THR A 8 0.326 -0.704 -8.271 1.00 0.32 H new ATOM 0 HA THR A 8 -1.255 1.565 -9.352 1.00 0.32 H new ATOM 0 HB THR A 8 -1.682 -1.359 -10.052 1.00 0.34 H new ATOM 0 HG1 THR A 8 -0.923 -0.425 -12.171 1.00 0.50 H new ATOM 0 HG21 THR A 8 -3.256 -0.446 -11.720 1.00 0.52 H new ATOM 0 HG22 THR A 8 -3.734 0.057 -10.081 1.00 0.52 H new ATOM 0 HG23 THR A 8 -2.910 1.207 -11.160 1.00 0.52 H new ATOM 127 N PRO A 9 -1.668 1.008 -6.773 1.00 0.33 N ATOM 128 CA PRO A 9 -2.406 0.904 -5.527 1.00 0.34 C ATOM 129 C PRO A 9 -3.733 1.661 -5.612 1.00 0.35 C ATOM 130 O PRO A 9 -4.792 1.052 -5.758 1.00 0.43 O ATOM 131 CB PRO A 9 -1.471 1.463 -4.467 1.00 0.37 C ATOM 132 CG PRO A 9 -0.433 2.281 -5.217 1.00 0.37 C ATOM 133 CD PRO A 9 -0.537 1.928 -6.692 1.00 0.35 C ATOM 0 HA PRO A 9 -2.687 -0.122 -5.289 1.00 0.34 H new ATOM 0 HB2 PRO A 9 -2.015 2.082 -3.753 1.00 0.37 H new ATOM 0 HB3 PRO A 9 -1.000 0.661 -3.899 1.00 0.37 H new ATOM 0 HG2 PRO A 9 -0.606 3.347 -5.067 1.00 0.37 H new ATOM 0 HG3 PRO A 9 0.567 2.064 -4.842 1.00 0.37 H new ATOM 0 HD2 PRO A 9 -0.704 2.816 -7.301 1.00 0.35 H new ATOM 0 HD3 PRO A 9 0.380 1.462 -7.053 1.00 0.35 H new ATOM 141 N ALA A 10 -3.633 2.979 -5.517 1.00 0.40 N ATOM 142 CA ALA A 10 -4.812 3.825 -5.581 1.00 0.44 C ATOM 143 C ALA A 10 -4.385 5.293 -5.507 1.00 0.44 C ATOM 144 O ALA A 10 -4.986 6.081 -4.778 1.00 0.45 O ATOM 145 CB ALA A 10 -5.778 3.442 -4.460 1.00 0.45 C ATOM 0 H ALA A 10 -2.754 3.481 -5.396 1.00 0.40 H new ATOM 0 HA ALA A 10 -5.337 3.681 -6.525 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -6.662 4.077 -4.509 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -6.074 2.399 -4.575 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -5.288 3.576 -3.496 1.00 0.45 H new ATOM 151 N GLU A 11 -3.351 5.615 -6.270 1.00 0.46 N ATOM 152 CA GLU A 11 -2.837 6.974 -6.299 1.00 0.51 C ATOM 153 C GLU A 11 -3.991 7.978 -6.315 1.00 0.55 C ATOM 154 O GLU A 11 -4.680 8.123 -7.324 1.00 0.62 O ATOM 155 CB GLU A 11 -1.912 7.184 -7.499 1.00 0.61 C ATOM 156 CG GLU A 11 -0.470 7.419 -7.045 1.00 0.70 C ATOM 157 CD GLU A 11 0.238 8.421 -7.959 1.00 2.00 C ATOM 158 OE1 GLU A 11 0.164 9.636 -7.722 1.00 3.63 O ATOM 159 OE2 GLU A 11 0.882 7.898 -8.947 1.00 2.20 O ATOM 0 H GLU A 11 -2.855 4.958 -6.873 1.00 0.46 H new ATOM 0 HA GLU A 11 -2.250 7.139 -5.395 1.00 0.51 H new ATOM 0 HB2 GLU A 11 -1.954 6.312 -8.152 1.00 0.61 H new ATOM 0 HB3 GLU A 11 -2.257 8.037 -8.084 1.00 0.61 H new ATOM 0 HG2 GLU A 11 -0.464 7.790 -6.020 1.00 0.70 H new ATOM 0 HG3 GLU A 11 0.073 6.474 -7.046 1.00 0.70 H new ATOM 166 N GLY A 12 -4.168 8.646 -5.185 1.00 0.52 N ATOM 167 CA GLY A 12 -5.228 9.632 -5.056 1.00 0.57 C ATOM 168 C GLY A 12 -6.522 9.133 -5.699 1.00 0.66 C ATOM 169 O GLY A 12 -7.270 9.915 -6.285 1.00 0.87 O ATOM 0 H GLY A 12 -3.595 8.524 -4.350 1.00 0.52 H new ATOM 0 HA2 GLY A 12 -5.402 9.849 -4.002 1.00 0.57 H new ATOM 0 HA3 GLY A 12 -4.920 10.566 -5.527 1.00 0.57 H new ATOM 173 N SER A 13 -6.749 7.834 -5.567 1.00 0.58 N ATOM 174 CA SER A 13 -7.940 7.222 -6.129 1.00 0.70 C ATOM 175 C SER A 13 -9.176 7.662 -5.342 1.00 0.62 C ATOM 176 O SER A 13 -9.490 7.087 -4.300 1.00 0.64 O ATOM 177 CB SER A 13 -7.827 5.696 -6.130 1.00 0.91 C ATOM 178 OG SER A 13 -7.591 5.178 -7.436 1.00 1.23 O ATOM 0 H SER A 13 -6.128 7.189 -5.079 1.00 0.58 H new ATOM 0 HA SER A 13 -8.039 7.553 -7.163 1.00 0.70 H new ATOM 0 HB2 SER A 13 -7.016 5.392 -5.468 1.00 0.91 H new ATOM 0 HB3 SER A 13 -8.744 5.265 -5.729 1.00 0.91 H new ATOM 0 HG SER A 13 -7.523 4.201 -7.393 1.00 1.23 H new ATOM 184 N GLU A 14 -9.843 8.678 -5.868 1.00 0.62 N ATOM 185 CA GLU A 14 -11.038 9.202 -5.227 1.00 0.68 C ATOM 186 C GLU A 14 -12.275 8.877 -6.065 1.00 0.80 C ATOM 187 O GLU A 14 -12.335 9.214 -7.248 1.00 0.91 O ATOM 188 CB GLU A 14 -10.916 10.708 -4.990 1.00 0.85 C ATOM 189 CG GLU A 14 -9.574 11.054 -4.341 1.00 0.91 C ATOM 190 CD GLU A 14 -9.193 12.511 -4.612 1.00 1.17 C ATOM 191 OE1 GLU A 14 -9.529 13.051 -5.676 1.00 1.26 O ATOM 192 OE2 GLU A 14 -8.524 13.084 -3.670 1.00 2.24 O ATOM 0 H GLU A 14 -9.579 9.153 -6.731 1.00 0.62 H new ATOM 0 HA GLU A 14 -11.146 8.722 -4.254 1.00 0.68 H new ATOM 0 HB2 GLU A 14 -11.013 11.238 -5.938 1.00 0.85 H new ATOM 0 HB3 GLU A 14 -11.731 11.046 -4.351 1.00 0.85 H new ATOM 0 HG2 GLU A 14 -9.631 10.883 -3.266 1.00 0.91 H new ATOM 0 HG3 GLU A 14 -8.798 10.394 -4.728 1.00 0.91 H new ATOM 199 N GLY A 15 -13.234 8.228 -5.421 1.00 0.85 N ATOM 200 CA GLY A 15 -14.467 7.854 -6.092 1.00 1.06 C ATOM 201 C GLY A 15 -14.968 6.494 -5.602 1.00 0.67 C ATOM 202 O GLY A 15 -16.162 6.318 -5.362 1.00 0.60 O ATOM 0 H GLY A 15 -13.182 7.951 -4.441 1.00 0.85 H new ATOM 0 HA2 GLY A 15 -15.228 8.613 -5.911 1.00 1.06 H new ATOM 0 HA3 GLY A 15 -14.303 7.818 -7.169 1.00 1.06 H new ATOM 206 N ALA A 16 -14.031 5.567 -5.468 1.00 0.77 N ATOM 207 CA ALA A 16 -14.362 4.229 -5.010 1.00 0.79 C ATOM 208 C ALA A 16 -13.076 3.485 -4.647 1.00 1.14 C ATOM 209 O ALA A 16 -11.988 3.879 -5.065 1.00 1.80 O ATOM 210 CB ALA A 16 -15.169 3.505 -6.091 1.00 1.10 C ATOM 0 H ALA A 16 -13.042 5.717 -5.669 1.00 0.77 H new ATOM 0 HA ALA A 16 -14.981 4.273 -4.114 1.00 0.79 H new ATOM 0 HB1 ALA A 16 -15.418 2.501 -5.748 1.00 1.10 H new ATOM 0 HB2 ALA A 16 -16.087 4.058 -6.291 1.00 1.10 H new ATOM 0 HB3 ALA A 16 -14.578 3.440 -7.004 1.00 1.10 H new ATOM 216 N ALA A 17 -13.242 2.424 -3.873 1.00 0.87 N ATOM 217 CA ALA A 17 -12.107 1.621 -3.448 1.00 1.17 C ATOM 218 C ALA A 17 -11.764 0.610 -4.544 1.00 0.98 C ATOM 219 O ALA A 17 -12.654 -0.016 -5.116 1.00 0.89 O ATOM 220 CB ALA A 17 -12.429 0.948 -2.113 1.00 1.47 C ATOM 0 H ALA A 17 -14.146 2.101 -3.528 1.00 0.87 H new ATOM 0 HA ALA A 17 -11.229 2.249 -3.293 1.00 1.17 H new ATOM 0 HB1 ALA A 17 -11.578 0.346 -1.794 1.00 1.47 H new ATOM 0 HB2 ALA A 17 -12.636 1.710 -1.362 1.00 1.47 H new ATOM 0 HB3 ALA A 17 -13.303 0.307 -2.230 1.00 1.47 H new ATOM 226 N PRO A 18 -10.437 0.480 -4.810 1.00 0.99 N ATOM 227 CA PRO A 18 -9.965 -0.445 -5.827 1.00 0.88 C ATOM 228 C PRO A 18 -10.043 -1.890 -5.333 1.00 0.79 C ATOM 229 O PRO A 18 -9.968 -2.144 -4.132 1.00 1.24 O ATOM 230 CB PRO A 18 -8.545 0.002 -6.136 1.00 1.01 C ATOM 231 CG PRO A 18 -8.112 0.860 -4.959 1.00 1.16 C ATOM 232 CD PRO A 18 -9.354 1.206 -4.153 1.00 1.16 C ATOM 0 HA PRO A 18 -10.579 -0.429 -6.728 1.00 0.88 H new ATOM 0 HB2 PRO A 18 -7.884 -0.856 -6.258 1.00 1.01 H new ATOM 0 HB3 PRO A 18 -8.508 0.568 -7.067 1.00 1.01 H new ATOM 0 HG2 PRO A 18 -7.392 0.324 -4.340 1.00 1.16 H new ATOM 0 HG3 PRO A 18 -7.619 1.767 -5.309 1.00 1.16 H new ATOM 0 HD2 PRO A 18 -9.248 0.901 -3.112 1.00 1.16 H new ATOM 0 HD3 PRO A 18 -9.540 2.280 -4.154 1.00 1.16 H new ATOM 240 N ALA A 19 -10.194 -2.800 -6.284 1.00 0.58 N ATOM 241 CA ALA A 19 -10.283 -4.213 -5.961 1.00 0.56 C ATOM 242 C ALA A 19 -9.088 -4.610 -5.093 1.00 0.48 C ATOM 243 O ALA A 19 -9.262 -5.149 -4.000 1.00 0.48 O ATOM 244 CB ALA A 19 -10.362 -5.029 -7.253 1.00 0.68 C ATOM 0 H ALA A 19 -10.257 -2.586 -7.279 1.00 0.58 H new ATOM 0 HA ALA A 19 -11.188 -4.419 -5.390 1.00 0.56 H new ATOM 0 HB1 ALA A 19 -10.429 -6.089 -7.010 1.00 0.68 H new ATOM 0 HB2 ALA A 19 -11.244 -4.730 -7.819 1.00 0.68 H new ATOM 0 HB3 ALA A 19 -9.469 -4.850 -7.852 1.00 0.68 H new ATOM 250 N LYS A 20 -7.902 -4.328 -5.610 1.00 0.44 N ATOM 251 CA LYS A 20 -6.678 -4.649 -4.895 1.00 0.40 C ATOM 252 C LYS A 20 -5.560 -3.717 -5.365 1.00 0.38 C ATOM 253 O LYS A 20 -5.589 -3.224 -6.491 1.00 0.45 O ATOM 254 CB LYS A 20 -6.344 -6.135 -5.045 1.00 0.46 C ATOM 255 CG LYS A 20 -6.188 -6.516 -6.519 1.00 0.52 C ATOM 256 CD LYS A 20 -6.612 -7.966 -6.758 1.00 1.38 C ATOM 257 CE LYS A 20 -6.919 -8.211 -8.236 1.00 1.64 C ATOM 258 NZ LYS A 20 -7.684 -9.467 -8.406 1.00 2.63 N ATOM 0 H LYS A 20 -7.762 -3.881 -6.516 1.00 0.44 H new ATOM 0 HA LYS A 20 -6.806 -4.481 -3.826 1.00 0.40 H new ATOM 0 HB2 LYS A 20 -5.423 -6.360 -4.508 1.00 0.46 H new ATOM 0 HB3 LYS A 20 -7.132 -6.736 -4.592 1.00 0.46 H new ATOM 0 HG2 LYS A 20 -6.791 -5.850 -7.136 1.00 0.52 H new ATOM 0 HG3 LYS A 20 -5.151 -6.381 -6.825 1.00 0.52 H new ATOM 0 HD2 LYS A 20 -5.819 -8.639 -6.431 1.00 1.38 H new ATOM 0 HD3 LYS A 20 -7.492 -8.195 -6.157 1.00 1.38 H new ATOM 0 HE2 LYS A 20 -7.489 -7.374 -8.639 1.00 1.64 H new ATOM 0 HE3 LYS A 20 -5.989 -8.265 -8.802 1.00 1.64 H new ATOM 0 HZ1 LYS A 20 -7.884 -9.618 -9.415 1.00 2.63 H new ATOM 0 HZ2 LYS A 20 -7.127 -10.265 -8.040 1.00 2.63 H new ATOM 0 HZ3 LYS A 20 -8.580 -9.402 -7.882 1.00 2.63 H new ATOM 272 N ILE A 21 -4.600 -3.503 -4.477 1.00 0.37 N ATOM 273 CA ILE A 21 -3.474 -2.638 -4.786 1.00 0.36 C ATOM 274 C ILE A 21 -2.401 -3.448 -5.519 1.00 0.34 C ATOM 275 O ILE A 21 -2.175 -4.614 -5.203 1.00 0.35 O ATOM 276 CB ILE A 21 -2.964 -1.947 -3.519 1.00 0.38 C ATOM 277 CG1 ILE A 21 -3.743 -0.658 -3.247 1.00 0.40 C ATOM 278 CG2 ILE A 21 -1.457 -1.701 -3.597 1.00 0.40 C ATOM 279 CD1 ILE A 21 -4.546 -0.767 -1.949 1.00 0.45 C ATOM 0 H ILE A 21 -4.579 -3.914 -3.544 1.00 0.37 H new ATOM 0 HA ILE A 21 -3.783 -1.836 -5.456 1.00 0.36 H new ATOM 0 HB ILE A 21 -3.137 -2.613 -2.673 1.00 0.38 H new ATOM 0 HG12 ILE A 21 -3.052 0.182 -3.182 1.00 0.40 H new ATOM 0 HG13 ILE A 21 -4.416 -0.453 -4.079 1.00 0.40 H new ATOM 0 HG21 ILE A 21 -1.121 -1.209 -2.684 1.00 0.40 H new ATOM 0 HG22 ILE A 21 -0.938 -2.653 -3.708 1.00 0.40 H new ATOM 0 HG23 ILE A 21 -1.236 -1.065 -4.454 1.00 0.40 H new ATOM 0 HD11 ILE A 21 -5.090 0.162 -1.779 1.00 0.45 H new ATOM 0 HD12 ILE A 21 -5.253 -1.593 -2.027 1.00 0.45 H new ATOM 0 HD13 ILE A 21 -3.867 -0.948 -1.115 1.00 0.45 H new ATOM 291 N GLU A 22 -1.768 -2.795 -6.482 1.00 0.35 N ATOM 292 CA GLU A 22 -0.725 -3.440 -7.262 1.00 0.36 C ATOM 293 C GLU A 22 0.613 -2.728 -7.049 1.00 0.34 C ATOM 294 O GLU A 22 0.646 -1.526 -6.787 1.00 0.33 O ATOM 295 CB GLU A 22 -1.094 -3.479 -8.746 1.00 0.36 C ATOM 296 CG GLU A 22 -0.911 -4.886 -9.319 1.00 0.46 C ATOM 297 CD GLU A 22 -0.714 -4.838 -10.836 1.00 0.82 C ATOM 298 OE1 GLU A 22 0.331 -4.370 -11.311 1.00 1.74 O ATOM 299 OE2 GLU A 22 -1.695 -5.311 -11.528 1.00 1.64 O ATOM 0 H GLU A 22 -1.957 -1.826 -6.740 1.00 0.35 H new ATOM 0 HA GLU A 22 -0.626 -4.470 -6.919 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -2.129 -3.161 -8.876 1.00 0.36 H new ATOM 0 HB3 GLU A 22 -0.472 -2.774 -9.298 1.00 0.36 H new ATOM 0 HG2 GLU A 22 -0.050 -5.364 -8.852 1.00 0.46 H new ATOM 0 HG3 GLU A 22 -1.782 -5.496 -9.081 1.00 0.46 H new ATOM 306 N LEU A 23 1.683 -3.499 -7.170 1.00 0.37 N ATOM 307 CA LEU A 23 3.020 -2.958 -6.993 1.00 0.39 C ATOM 308 C LEU A 23 3.993 -3.707 -7.907 1.00 0.41 C ATOM 309 O LEU A 23 3.858 -4.912 -8.108 1.00 0.43 O ATOM 310 CB LEU A 23 3.418 -2.984 -5.517 1.00 0.44 C ATOM 311 CG LEU A 23 2.456 -2.292 -4.550 1.00 0.42 C ATOM 312 CD1 LEU A 23 2.601 -2.855 -3.135 1.00 0.49 C ATOM 313 CD2 LEU A 23 2.643 -0.774 -4.584 1.00 0.43 C ATOM 0 H LEU A 23 1.652 -4.495 -7.389 1.00 0.37 H new ATOM 0 HA LEU A 23 3.049 -1.909 -7.287 1.00 0.39 H new ATOM 0 HB2 LEU A 23 3.526 -4.024 -5.209 1.00 0.44 H new ATOM 0 HB3 LEU A 23 4.399 -2.519 -5.418 1.00 0.44 H new ATOM 0 HG LEU A 23 1.437 -2.499 -4.876 1.00 0.42 H new ATOM 0 HD11 LEU A 23 1.906 -2.346 -2.468 1.00 0.49 H new ATOM 0 HD12 LEU A 23 2.380 -3.922 -3.144 1.00 0.49 H new ATOM 0 HD13 LEU A 23 3.621 -2.699 -2.784 1.00 0.49 H new ATOM 0 HD21 LEU A 23 1.947 -0.306 -3.888 1.00 0.43 H new ATOM 0 HD22 LEU A 23 3.665 -0.527 -4.297 1.00 0.43 H new ATOM 0 HD23 LEU A 23 2.450 -0.406 -5.592 1.00 0.43 H new ATOM 325 N HIS A 24 4.953 -2.960 -8.434 1.00 0.42 N ATOM 326 CA HIS A 24 5.948 -3.539 -9.322 1.00 0.45 C ATOM 327 C HIS A 24 7.342 -3.062 -8.908 1.00 0.45 C ATOM 328 O HIS A 24 7.482 -2.013 -8.282 1.00 0.45 O ATOM 329 CB HIS A 24 5.622 -3.224 -10.782 1.00 0.46 C ATOM 330 CG HIS A 24 4.549 -4.104 -11.376 1.00 0.50 C ATOM 331 ND1 HIS A 24 4.728 -5.458 -11.599 1.00 0.60 N ATOM 332 CD2 HIS A 24 3.283 -3.810 -11.790 1.00 0.69 C ATOM 333 CE1 HIS A 24 3.614 -5.947 -12.124 1.00 0.59 C ATOM 334 NE2 HIS A 24 2.720 -4.923 -12.243 1.00 0.63 N ATOM 0 H HIS A 24 5.063 -1.960 -8.263 1.00 0.42 H new ATOM 0 HA HIS A 24 5.932 -4.625 -9.235 1.00 0.45 H new ATOM 0 HB2 HIS A 24 5.306 -2.183 -10.857 1.00 0.46 H new ATOM 0 HB3 HIS A 24 6.530 -3.325 -11.376 1.00 0.46 H new ATOM 0 HD2 HIS A 24 2.818 -2.836 -11.755 1.00 0.69 H new ATOM 0 HE1 HIS A 24 3.444 -6.975 -12.408 1.00 0.59 H new ATOM 0 HE2 HIS A 24 1.775 -5.000 -12.618 1.00 0.63 H new ATOM 342 N PHE A 25 8.336 -3.857 -9.275 1.00 0.53 N ATOM 343 CA PHE A 25 9.714 -3.529 -8.950 1.00 0.56 C ATOM 344 C PHE A 25 10.679 -4.154 -9.961 1.00 0.64 C ATOM 345 O PHE A 25 10.735 -5.375 -10.098 1.00 0.86 O ATOM 346 CB PHE A 25 9.998 -4.112 -7.565 1.00 0.59 C ATOM 347 CG PHE A 25 9.772 -3.126 -6.417 1.00 0.75 C ATOM 348 CD1 PHE A 25 10.591 -2.050 -6.274 1.00 2.25 C ATOM 349 CD2 PHE A 25 8.753 -3.327 -5.539 1.00 1.52 C ATOM 350 CE1 PHE A 25 10.381 -1.135 -5.209 1.00 2.57 C ATOM 351 CE2 PHE A 25 8.543 -2.412 -4.474 1.00 1.62 C ATOM 352 CZ PHE A 25 9.362 -1.335 -4.331 1.00 1.54 C ATOM 0 H PHE A 25 8.215 -4.727 -9.794 1.00 0.53 H new ATOM 0 HA PHE A 25 9.855 -2.448 -8.973 1.00 0.56 H new ATOM 0 HB2 PHE A 25 9.362 -4.984 -7.412 1.00 0.59 H new ATOM 0 HB3 PHE A 25 11.030 -4.460 -7.533 1.00 0.59 H new ATOM 0 HD1 PHE A 25 11.401 -1.891 -6.970 1.00 2.25 H new ATOM 0 HD2 PHE A 25 8.104 -4.183 -5.652 1.00 1.52 H new ATOM 0 HE1 PHE A 25 11.031 -0.280 -5.096 1.00 2.57 H new ATOM 0 HE2 PHE A 25 7.733 -2.571 -3.777 1.00 1.62 H new ATOM 0 HZ PHE A 25 9.203 -0.639 -3.520 1.00 1.54 H new ATOM 362 N SER A 26 11.414 -3.287 -10.642 1.00 0.67 N ATOM 363 CA SER A 26 12.373 -3.739 -11.636 1.00 0.78 C ATOM 364 C SER A 26 13.597 -4.346 -10.944 1.00 0.79 C ATOM 365 O SER A 26 14.492 -4.868 -11.606 1.00 0.93 O ATOM 366 CB SER A 26 12.798 -2.591 -12.553 1.00 1.02 C ATOM 367 OG SER A 26 12.260 -2.728 -13.866 1.00 1.54 O ATOM 0 H SER A 26 11.365 -2.275 -10.525 1.00 0.67 H new ATOM 0 HA SER A 26 11.895 -4.502 -12.251 1.00 0.78 H new ATOM 0 HB2 SER A 26 12.470 -1.644 -12.124 1.00 1.02 H new ATOM 0 HB3 SER A 26 13.886 -2.556 -12.609 1.00 1.02 H new ATOM 0 HG SER A 26 12.553 -1.975 -14.420 1.00 1.54 H new ATOM 499 N GLY A 35 7.106 -4.700 2.991 1.00 0.53 N ATOM 500 CA GLY A 35 5.693 -4.977 3.189 1.00 0.64 C ATOM 501 C GLY A 35 4.856 -3.708 3.014 1.00 0.60 C ATOM 502 O GLY A 35 5.370 -2.675 2.586 1.00 0.77 O ATOM 0 HA2 GLY A 35 5.364 -5.735 2.478 1.00 0.64 H new ATOM 0 HA3 GLY A 35 5.535 -5.386 4.187 1.00 0.64 H new ATOM 506 N ALA A 36 3.581 -3.828 3.353 1.00 0.51 N ATOM 507 CA ALA A 36 2.668 -2.704 3.239 1.00 0.51 C ATOM 508 C ALA A 36 1.569 -2.835 4.295 1.00 0.52 C ATOM 509 O ALA A 36 1.357 -3.916 4.843 1.00 0.60 O ATOM 510 CB ALA A 36 2.105 -2.644 1.817 1.00 0.61 C ATOM 0 H ALA A 36 3.159 -4.686 3.707 1.00 0.51 H new ATOM 0 HA ALA A 36 3.192 -1.766 3.422 1.00 0.51 H new ATOM 0 HB1 ALA A 36 1.420 -1.800 1.732 1.00 0.61 H new ATOM 0 HB2 ALA A 36 2.923 -2.520 1.107 1.00 0.61 H new ATOM 0 HB3 ALA A 36 1.571 -3.569 1.598 1.00 0.61 H new ATOM 516 N LYS A 37 0.901 -1.720 4.549 1.00 0.49 N ATOM 517 CA LYS A 37 -0.171 -1.696 5.531 1.00 0.54 C ATOM 518 C LYS A 37 -1.133 -0.553 5.203 1.00 0.49 C ATOM 519 O LYS A 37 -0.708 0.586 5.018 1.00 0.46 O ATOM 520 CB LYS A 37 0.402 -1.630 6.948 1.00 0.62 C ATOM 521 CG LYS A 37 0.217 -2.963 7.677 1.00 0.90 C ATOM 522 CD LYS A 37 0.981 -2.974 9.002 1.00 1.17 C ATOM 523 CE LYS A 37 1.024 -4.381 9.599 1.00 1.81 C ATOM 524 NZ LYS A 37 0.379 -4.401 10.930 1.00 2.51 N ATOM 0 H LYS A 37 1.081 -0.826 4.092 1.00 0.49 H new ATOM 0 HA LYS A 37 -0.748 -2.620 5.488 1.00 0.54 H new ATOM 0 HB2 LYS A 37 1.462 -1.379 6.904 1.00 0.62 H new ATOM 0 HB3 LYS A 37 -0.091 -0.834 7.507 1.00 0.62 H new ATOM 0 HG2 LYS A 37 -0.843 -3.136 7.863 1.00 0.90 H new ATOM 0 HG3 LYS A 37 0.567 -3.779 7.045 1.00 0.90 H new ATOM 0 HD2 LYS A 37 1.997 -2.611 8.843 1.00 1.17 H new ATOM 0 HD3 LYS A 37 0.505 -2.291 9.706 1.00 1.17 H new ATOM 0 HE2 LYS A 37 0.518 -5.080 8.933 1.00 1.81 H new ATOM 0 HE3 LYS A 37 2.058 -4.714 9.685 1.00 1.81 H new ATOM 0 HZ1 LYS A 37 0.418 -5.364 11.320 1.00 2.51 H new ATOM 0 HZ2 LYS A 37 0.879 -3.749 11.568 1.00 2.51 H new ATOM 0 HZ3 LYS A 37 -0.613 -4.104 10.839 1.00 2.51 H new ATOM 538 N LEU A 38 -2.411 -0.897 5.140 1.00 0.50 N ATOM 539 CA LEU A 38 -3.436 0.086 4.837 1.00 0.48 C ATOM 540 C LEU A 38 -4.091 0.552 6.139 1.00 0.53 C ATOM 541 O LEU A 38 -4.282 -0.241 7.060 1.00 0.56 O ATOM 542 CB LEU A 38 -4.430 -0.472 3.815 1.00 0.50 C ATOM 543 CG LEU A 38 -5.734 0.310 3.651 1.00 0.50 C ATOM 544 CD1 LEU A 38 -5.459 1.802 3.463 1.00 0.59 C ATOM 545 CD2 LEU A 38 -6.580 -0.265 2.513 1.00 0.67 C ATOM 0 H LEU A 38 -2.760 -1.843 5.294 1.00 0.50 H new ATOM 0 HA LEU A 38 -2.993 0.965 4.369 1.00 0.48 H new ATOM 0 HB2 LEU A 38 -3.935 -0.521 2.845 1.00 0.50 H new ATOM 0 HB3 LEU A 38 -4.676 -1.495 4.099 1.00 0.50 H new ATOM 0 HG LEU A 38 -6.313 0.203 4.568 1.00 0.50 H new ATOM 0 HD11 LEU A 38 -6.403 2.334 3.349 1.00 0.59 H new ATOM 0 HD12 LEU A 38 -4.929 2.187 4.334 1.00 0.59 H new ATOM 0 HD13 LEU A 38 -4.849 1.950 2.572 1.00 0.59 H new ATOM 0 HD21 LEU A 38 -7.501 0.310 2.418 1.00 0.67 H new ATOM 0 HD22 LEU A 38 -6.020 -0.209 1.579 1.00 0.67 H new ATOM 0 HD23 LEU A 38 -6.822 -1.305 2.729 1.00 0.67 H new ATOM 557 N VAL A 39 -4.416 1.836 6.174 1.00 0.60 N ATOM 558 CA VAL A 39 -5.045 2.417 7.348 1.00 0.69 C ATOM 559 C VAL A 39 -6.191 3.329 6.909 1.00 0.70 C ATOM 560 O VAL A 39 -6.058 4.078 5.943 1.00 0.70 O ATOM 561 CB VAL A 39 -3.998 3.140 8.198 1.00 0.79 C ATOM 562 CG1 VAL A 39 -2.763 2.263 8.412 1.00 0.74 C ATOM 563 CG2 VAL A 39 -3.615 4.483 7.573 1.00 0.91 C ATOM 0 H VAL A 39 -4.256 2.490 5.408 1.00 0.60 H new ATOM 0 HA VAL A 39 -5.474 1.637 7.977 1.00 0.69 H new ATOM 0 HB VAL A 39 -4.440 3.339 9.174 1.00 0.79 H new ATOM 0 HG11 VAL A 39 -2.035 2.801 9.019 1.00 0.74 H new ATOM 0 HG12 VAL A 39 -3.053 1.345 8.922 1.00 0.74 H new ATOM 0 HG13 VAL A 39 -2.320 2.017 7.447 1.00 0.74 H new ATOM 0 HG21 VAL A 39 -2.870 4.976 8.197 1.00 0.91 H new ATOM 0 HG22 VAL A 39 -3.202 4.317 6.578 1.00 0.91 H new ATOM 0 HG23 VAL A 39 -4.500 5.115 7.498 1.00 0.91 H new ATOM 573 N MET A 40 -7.293 3.234 7.639 1.00 0.74 N ATOM 574 CA MET A 40 -8.463 4.041 7.337 1.00 0.77 C ATOM 575 C MET A 40 -8.449 5.347 8.133 1.00 0.87 C ATOM 576 O MET A 40 -8.857 5.376 9.293 1.00 0.94 O ATOM 577 CB MET A 40 -9.729 3.252 7.674 1.00 0.79 C ATOM 578 CG MET A 40 -10.981 4.105 7.458 1.00 0.86 C ATOM 579 SD MET A 40 -11.657 4.606 9.032 1.00 0.93 S ATOM 580 CE MET A 40 -12.365 3.059 9.572 1.00 2.43 C ATOM 0 H MET A 40 -7.400 2.610 8.439 1.00 0.74 H new ATOM 0 HA MET A 40 -8.448 4.285 6.275 1.00 0.77 H new ATOM 0 HB2 MET A 40 -9.781 2.359 7.052 1.00 0.79 H new ATOM 0 HB3 MET A 40 -9.688 2.916 8.710 1.00 0.79 H new ATOM 0 HG2 MET A 40 -10.734 4.984 6.863 1.00 0.86 H new ATOM 0 HG3 MET A 40 -11.725 3.539 6.897 1.00 0.86 H new ATOM 0 HE1 MET A 40 -13.116 3.250 10.338 1.00 2.43 H new ATOM 0 HE2 MET A 40 -12.831 2.557 8.724 1.00 2.43 H new ATOM 0 HE3 MET A 40 -11.581 2.424 9.984 1.00 2.43 H new ATOM 590 N THR A 41 -7.974 6.397 7.479 1.00 0.89 N ATOM 591 CA THR A 41 -7.901 7.704 8.112 1.00 1.00 C ATOM 592 C THR A 41 -8.906 8.663 7.471 1.00 1.04 C ATOM 593 O THR A 41 -8.522 9.697 6.927 1.00 1.11 O ATOM 594 CB THR A 41 -6.454 8.191 8.023 1.00 1.06 C ATOM 595 OG1 THR A 41 -6.459 9.424 8.739 1.00 1.22 O ATOM 596 CG2 THR A 41 -6.055 8.588 6.600 1.00 1.10 C ATOM 0 H THR A 41 -7.636 6.370 6.517 1.00 0.89 H new ATOM 0 HA THR A 41 -8.177 7.650 9.165 1.00 1.00 H new ATOM 0 HB THR A 41 -5.785 7.409 8.382 1.00 1.06 H new ATOM 0 HG1 THR A 41 -7.071 10.053 8.303 1.00 1.22 H new ATOM 0 HG21 THR A 41 -5.019 8.926 6.594 1.00 1.10 H new ATOM 0 HG22 THR A 41 -6.160 7.728 5.939 1.00 1.10 H new ATOM 0 HG23 THR A 41 -6.702 9.394 6.252 1.00 1.10 H new ATOM 604 N ALA A 42 -10.174 8.287 7.559 1.00 1.03 N ATOM 605 CA ALA A 42 -11.237 9.101 6.995 1.00 1.09 C ATOM 606 C ALA A 42 -10.985 10.570 7.338 1.00 1.06 C ATOM 607 O ALA A 42 -10.947 11.421 6.451 1.00 2.03 O ATOM 608 CB ALA A 42 -12.589 8.605 7.511 1.00 1.23 C ATOM 0 H ALA A 42 -10.489 7.429 8.013 1.00 1.03 H new ATOM 0 HA ALA A 42 -11.251 9.014 5.909 1.00 1.09 H new ATOM 0 HB1 ALA A 42 -13.386 9.216 7.088 1.00 1.23 H new ATOM 0 HB2 ALA A 42 -12.732 7.566 7.215 1.00 1.23 H new ATOM 0 HB3 ALA A 42 -12.613 8.680 8.598 1.00 1.23 H new ATOM 726 N MET A 51 -6.456 4.331 11.302 1.00 0.90 N ATOM 727 CA MET A 51 -6.961 3.056 11.781 1.00 0.99 C ATOM 728 C MET A 51 -6.565 1.920 10.837 1.00 0.98 C ATOM 729 O MET A 51 -7.106 1.804 9.737 1.00 1.20 O ATOM 730 CB MET A 51 -8.486 3.120 11.892 1.00 1.03 C ATOM 731 CG MET A 51 -8.917 4.163 12.925 1.00 1.39 C ATOM 732 SD MET A 51 -9.737 3.364 14.294 1.00 1.76 S ATOM 733 CE MET A 51 -11.139 4.452 14.494 1.00 2.84 C ATOM 0 HA MET A 51 -6.525 2.858 12.760 1.00 0.99 H new ATOM 0 HB2 MET A 51 -8.915 3.366 10.921 1.00 1.03 H new ATOM 0 HB3 MET A 51 -8.875 2.142 12.174 1.00 1.03 H new ATOM 0 HG2 MET A 51 -8.047 4.714 13.283 1.00 1.39 H new ATOM 0 HG3 MET A 51 -9.586 4.889 12.463 1.00 1.39 H new ATOM 0 HE1 MET A 51 -11.762 4.096 15.315 1.00 2.84 H new ATOM 0 HE2 MET A 51 -10.789 5.460 14.715 1.00 2.84 H new ATOM 0 HE3 MET A 51 -11.724 4.465 13.574 1.00 2.84 H new ATOM 743 N ALA A 52 -5.625 1.109 11.299 1.00 0.83 N ATOM 744 CA ALA A 52 -5.151 -0.015 10.508 1.00 0.82 C ATOM 745 C ALA A 52 -6.342 -0.886 10.102 1.00 0.80 C ATOM 746 O ALA A 52 -7.286 -1.050 10.872 1.00 0.85 O ATOM 747 CB ALA A 52 -4.104 -0.794 11.307 1.00 0.92 C ATOM 0 H ALA A 52 -5.179 1.207 12.211 1.00 0.83 H new ATOM 0 HA ALA A 52 -4.671 0.333 9.593 1.00 0.82 H new ATOM 0 HB1 ALA A 52 -3.748 -1.637 10.715 1.00 0.92 H new ATOM 0 HB2 ALA A 52 -3.266 -0.138 11.545 1.00 0.92 H new ATOM 0 HB3 ALA A 52 -4.551 -1.162 12.230 1.00 0.92 H new ATOM 753 N VAL A 53 -6.256 -1.422 8.894 1.00 0.75 N ATOM 754 CA VAL A 53 -7.314 -2.271 8.376 1.00 0.76 C ATOM 755 C VAL A 53 -6.800 -3.708 8.262 1.00 0.80 C ATOM 756 O VAL A 53 -5.607 -3.929 8.061 1.00 0.93 O ATOM 757 CB VAL A 53 -7.829 -1.715 7.046 1.00 0.73 C ATOM 758 CG1 VAL A 53 -6.793 -1.901 5.936 1.00 0.57 C ATOM 759 CG2 VAL A 53 -9.164 -2.356 6.663 1.00 0.92 C ATOM 0 H VAL A 53 -5.470 -1.285 8.259 1.00 0.75 H new ATOM 0 HA VAL A 53 -8.163 -2.281 9.060 1.00 0.76 H new ATOM 0 HB VAL A 53 -7.996 -0.645 7.173 1.00 0.73 H new ATOM 0 HG11 VAL A 53 -7.184 -1.498 5.002 1.00 0.57 H new ATOM 0 HG12 VAL A 53 -5.876 -1.376 6.202 1.00 0.57 H new ATOM 0 HG13 VAL A 53 -6.580 -2.963 5.811 1.00 0.57 H new ATOM 0 HG21 VAL A 53 -9.507 -1.943 5.714 1.00 0.92 H new ATOM 0 HG22 VAL A 53 -9.035 -3.434 6.564 1.00 0.92 H new ATOM 0 HG23 VAL A 53 -9.903 -2.149 7.437 1.00 0.92 H new ATOM 769 N LYS A 54 -7.726 -4.646 8.397 1.00 0.80 N ATOM 770 CA LYS A 54 -7.381 -6.055 8.313 1.00 0.87 C ATOM 771 C LYS A 54 -7.181 -6.440 6.845 1.00 0.82 C ATOM 772 O LYS A 54 -8.140 -6.782 6.155 1.00 0.99 O ATOM 773 CB LYS A 54 -8.426 -6.907 9.037 1.00 0.97 C ATOM 774 CG LYS A 54 -8.528 -8.298 8.409 1.00 2.37 C ATOM 775 CD LYS A 54 -8.975 -9.334 9.442 1.00 2.69 C ATOM 776 CE LYS A 54 -8.164 -10.625 9.311 1.00 4.11 C ATOM 777 NZ LYS A 54 -7.296 -10.817 10.495 1.00 4.41 N ATOM 0 H LYS A 54 -8.715 -4.458 8.564 1.00 0.80 H new ATOM 0 HA LYS A 54 -6.438 -6.248 8.824 1.00 0.87 H new ATOM 0 HB2 LYS A 54 -8.160 -6.998 10.090 1.00 0.97 H new ATOM 0 HB3 LYS A 54 -9.397 -6.413 8.995 1.00 0.97 H new ATOM 0 HG2 LYS A 54 -9.236 -8.276 7.581 1.00 2.37 H new ATOM 0 HG3 LYS A 54 -7.562 -8.586 7.995 1.00 2.37 H new ATOM 0 HD2 LYS A 54 -8.856 -8.926 10.446 1.00 2.69 H new ATOM 0 HD3 LYS A 54 -10.035 -9.551 9.309 1.00 2.69 H new ATOM 0 HE2 LYS A 54 -8.838 -11.475 9.206 1.00 4.11 H new ATOM 0 HE3 LYS A 54 -7.554 -10.588 8.408 1.00 4.11 H new ATOM 0 HZ1 LYS A 54 -6.753 -11.698 10.388 1.00 4.41 H new ATOM 0 HZ2 LYS A 54 -6.640 -10.014 10.578 1.00 4.41 H new ATOM 0 HZ3 LYS A 54 -7.884 -10.874 11.351 1.00 4.41 H new ATOM 791 N ALA A 55 -5.931 -6.372 6.414 1.00 0.73 N ATOM 792 CA ALA A 55 -5.594 -6.710 5.041 1.00 0.67 C ATOM 793 C ALA A 55 -4.346 -7.596 5.030 1.00 0.59 C ATOM 794 O ALA A 55 -3.736 -7.828 6.073 1.00 0.62 O ATOM 795 CB ALA A 55 -5.404 -5.425 4.232 1.00 0.75 C ATOM 0 H ALA A 55 -5.139 -6.088 6.990 1.00 0.73 H new ATOM 0 HA ALA A 55 -6.402 -7.273 4.574 1.00 0.67 H new ATOM 0 HB1 ALA A 55 -5.151 -5.677 3.202 1.00 0.75 H new ATOM 0 HB2 ALA A 55 -6.327 -4.845 4.247 1.00 0.75 H new ATOM 0 HB3 ALA A 55 -4.598 -4.836 4.669 1.00 0.75 H new ATOM 801 N ALA A 56 -4.006 -8.067 3.839 1.00 0.54 N ATOM 802 CA ALA A 56 -2.842 -8.923 3.679 1.00 0.54 C ATOM 803 C ALA A 56 -2.116 -8.552 2.385 1.00 0.49 C ATOM 804 O ALA A 56 -2.752 -8.301 1.362 1.00 0.50 O ATOM 805 CB ALA A 56 -3.279 -10.389 3.702 1.00 0.63 C ATOM 0 H ALA A 56 -4.515 -7.873 2.977 1.00 0.54 H new ATOM 0 HA ALA A 56 -2.143 -8.778 4.503 1.00 0.54 H new ATOM 0 HB1 ALA A 56 -2.406 -11.031 3.582 1.00 0.63 H new ATOM 0 HB2 ALA A 56 -3.763 -10.609 4.653 1.00 0.63 H new ATOM 0 HB3 ALA A 56 -3.979 -10.573 2.887 1.00 0.63 H new ATOM 811 N VAL A 57 -0.795 -8.527 2.471 1.00 0.61 N ATOM 812 CA VAL A 57 0.026 -8.189 1.319 1.00 0.63 C ATOM 813 C VAL A 57 0.504 -9.477 0.646 1.00 0.66 C ATOM 814 O VAL A 57 1.023 -10.373 1.310 1.00 0.71 O ATOM 815 CB VAL A 57 1.174 -7.274 1.744 1.00 0.75 C ATOM 816 CG1 VAL A 57 1.869 -7.810 2.998 1.00 1.66 C ATOM 817 CG2 VAL A 57 2.175 -7.083 0.602 1.00 1.94 C ATOM 0 H VAL A 57 -0.271 -8.735 3.321 1.00 0.61 H new ATOM 0 HA VAL A 57 -0.556 -7.634 0.584 1.00 0.63 H new ATOM 0 HB VAL A 57 0.752 -6.299 1.987 1.00 0.75 H new ATOM 0 HG11 VAL A 57 2.682 -7.140 3.278 1.00 1.66 H new ATOM 0 HG12 VAL A 57 1.150 -7.870 3.815 1.00 1.66 H new ATOM 0 HG13 VAL A 57 2.271 -8.803 2.795 1.00 1.66 H new ATOM 0 HG21 VAL A 57 2.982 -6.428 0.931 1.00 1.94 H new ATOM 0 HG22 VAL A 57 2.587 -8.050 0.314 1.00 1.94 H new ATOM 0 HG23 VAL A 57 1.670 -6.635 -0.254 1.00 1.94 H new ATOM 827 N SER A 58 0.315 -9.527 -0.665 1.00 0.67 N ATOM 828 CA SER A 58 0.721 -10.691 -1.435 1.00 0.75 C ATOM 829 C SER A 58 1.754 -10.285 -2.489 1.00 0.98 C ATOM 830 O SER A 58 2.054 -9.103 -2.645 1.00 1.66 O ATOM 831 CB SER A 58 -0.484 -11.358 -2.102 1.00 0.96 C ATOM 832 OG SER A 58 -1.488 -11.713 -1.155 1.00 1.02 O ATOM 0 H SER A 58 -0.113 -8.781 -1.213 1.00 0.67 H new ATOM 0 HA SER A 58 1.170 -11.413 -0.753 1.00 0.75 H new ATOM 0 HB2 SER A 58 -0.908 -10.682 -2.844 1.00 0.96 H new ATOM 0 HB3 SER A 58 -0.156 -12.251 -2.635 1.00 0.96 H new ATOM 0 HG SER A 58 -2.241 -12.134 -1.619 1.00 1.02 H new ATOM 838 N GLY A 59 2.267 -11.289 -3.185 1.00 0.70 N ATOM 839 CA GLY A 59 3.259 -11.051 -4.220 1.00 0.90 C ATOM 840 C GLY A 59 3.057 -12.002 -5.401 1.00 1.23 C ATOM 841 O GLY A 59 2.776 -13.184 -5.210 1.00 1.68 O ATOM 0 H GLY A 59 2.015 -12.268 -3.053 1.00 0.70 H new ATOM 0 HA2 GLY A 59 3.191 -10.019 -4.564 1.00 0.90 H new ATOM 0 HA3 GLY A 59 4.259 -11.184 -3.808 1.00 0.90 H new ATOM 885 N LYS A 64 9.194 -9.290 -6.488 1.00 1.64 N ATOM 886 CA LYS A 64 9.261 -7.920 -6.965 1.00 1.50 C ATOM 887 C LYS A 64 7.843 -7.390 -7.185 1.00 1.25 C ATOM 888 O LYS A 64 7.583 -6.202 -6.995 1.00 1.33 O ATOM 889 CB LYS A 64 10.151 -7.827 -8.206 1.00 1.55 C ATOM 890 CG LYS A 64 9.501 -8.530 -9.400 1.00 1.48 C ATOM 891 CD LYS A 64 10.549 -8.909 -10.450 1.00 1.82 C ATOM 892 CE LYS A 64 10.107 -8.471 -11.848 1.00 1.83 C ATOM 893 NZ LYS A 64 11.038 -8.992 -12.872 1.00 2.34 N ATOM 0 HA LYS A 64 9.728 -7.280 -6.217 1.00 1.50 H new ATOM 0 HB2 LYS A 64 10.333 -6.780 -8.450 1.00 1.55 H new ATOM 0 HB3 LYS A 64 11.121 -8.279 -7.997 1.00 1.55 H new ATOM 0 HG2 LYS A 64 8.981 -9.426 -9.060 1.00 1.48 H new ATOM 0 HG3 LYS A 64 8.752 -7.877 -9.848 1.00 1.48 H new ATOM 0 HD2 LYS A 64 11.502 -8.442 -10.203 1.00 1.82 H new ATOM 0 HD3 LYS A 64 10.709 -9.987 -10.436 1.00 1.82 H new ATOM 0 HE2 LYS A 64 9.098 -8.833 -12.047 1.00 1.83 H new ATOM 0 HE3 LYS A 64 10.071 -7.383 -11.900 1.00 1.83 H new ATOM 0 HZ1 LYS A 64 10.724 -8.686 -13.815 1.00 2.34 H new ATOM 0 HZ2 LYS A 64 11.994 -8.626 -12.690 1.00 2.34 H new ATOM 0 HZ3 LYS A 64 11.052 -10.031 -12.832 1.00 2.34 H new ATOM 907 N THR A 65 6.962 -8.297 -7.581 1.00 1.05 N ATOM 908 CA THR A 65 5.576 -7.936 -7.829 1.00 0.83 C ATOM 909 C THR A 65 4.743 -8.119 -6.560 1.00 0.78 C ATOM 910 O THR A 65 4.643 -9.226 -6.033 1.00 0.87 O ATOM 911 CB THR A 65 5.075 -8.768 -9.012 1.00 0.92 C ATOM 912 OG1 THR A 65 5.613 -8.108 -10.153 1.00 0.92 O ATOM 913 CG2 THR A 65 3.561 -8.665 -9.199 1.00 0.86 C ATOM 0 H THR A 65 7.181 -9.281 -7.736 1.00 1.05 H new ATOM 0 HA THR A 65 5.482 -6.882 -8.092 1.00 0.83 H new ATOM 0 HB THR A 65 5.352 -9.812 -8.865 1.00 0.92 H new ATOM 0 HG1 THR A 65 5.133 -7.266 -10.301 1.00 0.92 H new ATOM 0 HG21 THR A 65 3.257 -9.273 -10.051 1.00 0.86 H new ATOM 0 HG22 THR A 65 3.058 -9.022 -8.300 1.00 0.86 H new ATOM 0 HG23 THR A 65 3.287 -7.626 -9.379 1.00 0.86 H new ATOM 921 N MET A 66 4.165 -7.017 -6.105 1.00 0.70 N ATOM 922 CA MET A 66 3.344 -7.042 -4.907 1.00 0.66 C ATOM 923 C MET A 66 1.878 -6.754 -5.242 1.00 0.51 C ATOM 924 O MET A 66 1.583 -6.076 -6.225 1.00 0.44 O ATOM 925 CB MET A 66 3.856 -5.997 -3.914 1.00 0.73 C ATOM 926 CG MET A 66 4.341 -6.659 -2.622 1.00 0.92 C ATOM 927 SD MET A 66 5.709 -7.751 -2.974 1.00 1.09 S ATOM 928 CE MET A 66 6.762 -6.641 -3.894 1.00 1.49 C ATOM 0 H MET A 66 4.249 -6.101 -6.545 1.00 0.70 H new ATOM 0 HA MET A 66 3.408 -8.036 -4.465 1.00 0.66 H new ATOM 0 HB2 MET A 66 4.671 -5.431 -4.365 1.00 0.73 H new ATOM 0 HB3 MET A 66 3.061 -5.286 -3.687 1.00 0.73 H new ATOM 0 HG2 MET A 66 4.648 -5.897 -1.906 1.00 0.92 H new ATOM 0 HG3 MET A 66 3.527 -7.219 -2.162 1.00 0.92 H new ATOM 0 HE1 MET A 66 7.777 -7.039 -3.919 1.00 1.49 H new ATOM 0 HE2 MET A 66 6.386 -6.543 -4.912 1.00 1.49 H new ATOM 0 HE3 MET A 66 6.767 -5.663 -3.413 1.00 1.49 H new ATOM 938 N VAL A 67 0.998 -7.283 -4.404 1.00 0.51 N ATOM 939 CA VAL A 67 -0.429 -7.091 -4.598 1.00 0.40 C ATOM 940 C VAL A 67 -1.129 -7.092 -3.237 1.00 0.41 C ATOM 941 O VAL A 67 -1.233 -8.133 -2.590 1.00 0.49 O ATOM 942 CB VAL A 67 -0.975 -8.155 -5.552 1.00 0.43 C ATOM 943 CG1 VAL A 67 -1.003 -7.637 -6.992 1.00 1.87 C ATOM 944 CG2 VAL A 67 -0.166 -9.449 -5.452 1.00 1.85 C ATOM 0 H VAL A 67 1.246 -7.844 -3.589 1.00 0.51 H new ATOM 0 HA VAL A 67 -0.625 -6.125 -5.064 1.00 0.40 H new ATOM 0 HB VAL A 67 -2.000 -8.377 -5.255 1.00 0.43 H new ATOM 0 HG11 VAL A 67 -1.395 -8.412 -7.650 1.00 1.87 H new ATOM 0 HG12 VAL A 67 -1.642 -6.755 -7.049 1.00 1.87 H new ATOM 0 HG13 VAL A 67 0.008 -7.374 -7.304 1.00 1.87 H new ATOM 0 HG21 VAL A 67 -0.575 -10.188 -6.141 1.00 1.85 H new ATOM 0 HG22 VAL A 67 0.874 -9.249 -5.711 1.00 1.85 H new ATOM 0 HG23 VAL A 67 -0.219 -9.833 -4.433 1.00 1.85 H new ATOM 954 N ILE A 68 -1.592 -5.915 -2.845 1.00 0.39 N ATOM 955 CA ILE A 68 -2.280 -5.768 -1.573 1.00 0.41 C ATOM 956 C ILE A 68 -3.758 -6.115 -1.755 1.00 0.38 C ATOM 957 O ILE A 68 -4.441 -5.521 -2.589 1.00 0.39 O ATOM 958 CB ILE A 68 -2.042 -4.372 -0.994 1.00 0.46 C ATOM 959 CG1 ILE A 68 -0.897 -4.386 0.022 1.00 0.55 C ATOM 960 CG2 ILE A 68 -3.329 -3.799 -0.398 1.00 0.52 C ATOM 961 CD1 ILE A 68 0.461 -4.335 -0.682 1.00 0.59 C ATOM 0 H ILE A 68 -1.505 -5.054 -3.385 1.00 0.39 H new ATOM 0 HA ILE A 68 -1.877 -6.465 -0.838 1.00 0.41 H new ATOM 0 HB ILE A 68 -1.742 -3.712 -1.808 1.00 0.46 H new ATOM 0 HG12 ILE A 68 -0.994 -3.535 0.696 1.00 0.55 H new ATOM 0 HG13 ILE A 68 -0.960 -5.286 0.634 1.00 0.55 H new ATOM 0 HG21 ILE A 68 -3.132 -2.806 0.007 1.00 0.52 H new ATOM 0 HG22 ILE A 68 -4.090 -3.730 -1.175 1.00 0.52 H new ATOM 0 HG23 ILE A 68 -3.683 -4.452 0.400 1.00 0.52 H new ATOM 0 HD11 ILE A 68 1.257 -4.346 0.062 1.00 0.59 H new ATOM 0 HD12 ILE A 68 0.564 -5.200 -1.337 1.00 0.59 H new ATOM 0 HD13 ILE A 68 0.530 -3.422 -1.274 1.00 0.59 H new ATOM 973 N THR A 69 -4.210 -7.074 -0.960 1.00 0.40 N ATOM 974 CA THR A 69 -5.595 -7.507 -1.023 1.00 0.42 C ATOM 975 C THR A 69 -6.178 -7.638 0.386 1.00 0.42 C ATOM 976 O THR A 69 -5.857 -8.580 1.109 1.00 0.52 O ATOM 977 CB THR A 69 -5.649 -8.808 -1.825 1.00 0.51 C ATOM 978 OG1 THR A 69 -6.364 -8.458 -3.007 1.00 0.57 O ATOM 979 CG2 THR A 69 -6.525 -9.871 -1.161 1.00 0.52 C ATOM 0 H THR A 69 -3.641 -7.563 -0.269 1.00 0.40 H new ATOM 0 HA THR A 69 -6.216 -6.769 -1.531 1.00 0.42 H new ATOM 0 HB THR A 69 -4.639 -9.198 -1.951 1.00 0.51 H new ATOM 0 HG1 THR A 69 -6.444 -9.245 -3.586 1.00 0.57 H new ATOM 0 HG21 THR A 69 -6.528 -10.774 -1.772 1.00 0.52 H new ATOM 0 HG22 THR A 69 -6.129 -10.103 -0.172 1.00 0.52 H new ATOM 0 HG23 THR A 69 -7.543 -9.495 -1.064 1.00 0.52 H new ATOM 987 N PRO A 70 -7.045 -6.653 0.743 1.00 0.39 N ATOM 988 CA PRO A 70 -7.675 -6.651 2.053 1.00 0.46 C ATOM 989 C PRO A 70 -8.783 -7.703 2.132 1.00 0.52 C ATOM 990 O PRO A 70 -9.589 -7.831 1.211 1.00 0.52 O ATOM 991 CB PRO A 70 -8.190 -5.233 2.239 1.00 0.50 C ATOM 992 CG PRO A 70 -8.243 -4.623 0.847 1.00 0.48 C ATOM 993 CD PRO A 70 -7.449 -5.522 -0.086 1.00 0.41 C ATOM 0 HA PRO A 70 -6.983 -6.919 2.852 1.00 0.46 H new ATOM 0 HB2 PRO A 70 -9.176 -5.233 2.703 1.00 0.50 H new ATOM 0 HB3 PRO A 70 -7.531 -4.660 2.892 1.00 0.50 H new ATOM 0 HG2 PRO A 70 -9.275 -4.537 0.507 1.00 0.48 H new ATOM 0 HG3 PRO A 70 -7.825 -3.617 0.855 1.00 0.48 H new ATOM 0 HD2 PRO A 70 -8.054 -5.848 -0.932 1.00 0.41 H new ATOM 0 HD3 PRO A 70 -6.583 -5.002 -0.495 1.00 0.41 H new ATOM 1001 N ALA A 71 -8.787 -8.430 3.240 1.00 0.63 N ATOM 1002 CA ALA A 71 -9.782 -9.467 3.451 1.00 0.74 C ATOM 1003 C ALA A 71 -11.172 -8.830 3.512 1.00 0.83 C ATOM 1004 O ALA A 71 -12.142 -9.400 3.015 1.00 1.03 O ATOM 1005 CB ALA A 71 -9.443 -10.249 4.721 1.00 0.83 C ATOM 0 H ALA A 71 -8.117 -8.321 4.001 1.00 0.63 H new ATOM 0 HA ALA A 71 -9.780 -10.175 2.622 1.00 0.74 H new ATOM 0 HB1 ALA A 71 -10.190 -11.027 4.879 1.00 0.83 H new ATOM 0 HB2 ALA A 71 -8.459 -10.706 4.615 1.00 0.83 H new ATOM 0 HB3 ALA A 71 -9.438 -9.572 5.575 1.00 0.83 H new ATOM 1011 N SER A 72 -11.223 -7.657 4.125 1.00 0.79 N ATOM 1012 CA SER A 72 -12.478 -6.936 4.259 1.00 0.88 C ATOM 1013 C SER A 72 -12.641 -5.950 3.099 1.00 0.80 C ATOM 1014 O SER A 72 -11.654 -5.444 2.568 1.00 0.69 O ATOM 1015 CB SER A 72 -12.551 -6.198 5.597 1.00 0.98 C ATOM 1016 OG SER A 72 -13.660 -6.625 6.382 1.00 1.17 O ATOM 0 H SER A 72 -10.416 -7.187 4.535 1.00 0.79 H new ATOM 0 HA SER A 72 -13.292 -7.660 4.230 1.00 0.88 H new ATOM 0 HB2 SER A 72 -11.628 -6.363 6.153 1.00 0.98 H new ATOM 0 HB3 SER A 72 -12.626 -5.126 5.416 1.00 0.98 H new ATOM 0 HG SER A 72 -13.671 -6.132 7.229 1.00 1.17 H new ATOM 1022 N PRO A 73 -13.926 -5.701 2.732 1.00 0.87 N ATOM 1023 CA PRO A 73 -14.230 -4.786 1.646 1.00 0.84 C ATOM 1024 C PRO A 73 -14.038 -3.333 2.084 1.00 0.78 C ATOM 1025 O PRO A 73 -14.577 -2.912 3.107 1.00 0.90 O ATOM 1026 CB PRO A 73 -15.664 -5.104 1.254 1.00 0.98 C ATOM 1027 CG PRO A 73 -16.261 -5.855 2.432 1.00 1.08 C ATOM 1028 CD PRO A 73 -15.120 -6.284 3.339 1.00 1.02 C ATOM 0 HA PRO A 73 -13.562 -4.908 0.793 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -16.224 -4.192 1.048 1.00 0.98 H new ATOM 0 HB3 PRO A 73 -15.696 -5.709 0.348 1.00 0.98 H new ATOM 0 HG2 PRO A 73 -16.961 -5.220 2.974 1.00 1.08 H new ATOM 0 HG3 PRO A 73 -16.821 -6.724 2.086 1.00 1.08 H new ATOM 0 HD2 PRO A 73 -15.265 -5.921 4.357 1.00 1.02 H new ATOM 0 HD3 PRO A 73 -15.046 -7.370 3.396 1.00 1.02 H new ATOM 1036 N LEU A 74 -13.268 -2.606 1.287 1.00 0.66 N ATOM 1037 CA LEU A 74 -12.998 -1.208 1.580 1.00 0.63 C ATOM 1038 C LEU A 74 -14.270 -0.389 1.354 1.00 0.65 C ATOM 1039 O LEU A 74 -14.772 -0.311 0.234 1.00 0.67 O ATOM 1040 CB LEU A 74 -11.797 -0.714 0.772 1.00 0.60 C ATOM 1041 CG LEU A 74 -10.496 -1.497 0.957 1.00 0.61 C ATOM 1042 CD1 LEU A 74 -9.502 -1.183 -0.163 1.00 0.63 C ATOM 1043 CD2 LEU A 74 -9.896 -1.246 2.342 1.00 0.63 C ATOM 0 H LEU A 74 -12.823 -2.958 0.440 1.00 0.66 H new ATOM 0 HA LEU A 74 -12.721 -1.085 2.627 1.00 0.63 H new ATOM 0 HB2 LEU A 74 -12.063 -0.734 -0.285 1.00 0.60 H new ATOM 0 HB3 LEU A 74 -11.611 0.328 1.034 1.00 0.60 H new ATOM 0 HG LEU A 74 -10.727 -2.560 0.894 1.00 0.61 H new ATOM 0 HD11 LEU A 74 -8.586 -1.753 -0.007 1.00 0.63 H new ATOM 0 HD12 LEU A 74 -9.939 -1.454 -1.124 1.00 0.63 H new ATOM 0 HD13 LEU A 74 -9.272 -0.118 -0.157 1.00 0.63 H new ATOM 0 HD21 LEU A 74 -8.972 -1.815 2.447 1.00 0.63 H new ATOM 0 HD22 LEU A 74 -9.683 -0.183 2.459 1.00 0.63 H new ATOM 0 HD23 LEU A 74 -10.605 -1.561 3.108 1.00 0.63 H new ATOM 1055 N THR A 75 -14.755 0.202 2.435 1.00 0.68 N ATOM 1056 CA THR A 75 -15.959 1.013 2.369 1.00 0.73 C ATOM 1057 C THR A 75 -15.607 2.465 2.041 1.00 0.72 C ATOM 1058 O THR A 75 -14.432 2.824 1.976 1.00 0.75 O ATOM 1059 CB THR A 75 -16.709 0.855 3.694 1.00 0.79 C ATOM 1060 OG1 THR A 75 -15.779 1.304 4.675 1.00 0.85 O ATOM 1061 CG2 THR A 75 -16.954 -0.612 4.056 1.00 0.85 C ATOM 0 H THR A 75 -14.336 0.136 3.363 1.00 0.68 H new ATOM 0 HA THR A 75 -16.615 0.681 1.565 1.00 0.73 H new ATOM 0 HB THR A 75 -17.663 1.379 3.636 1.00 0.79 H new ATOM 0 HG1 THR A 75 -15.054 1.798 4.237 1.00 0.85 H new ATOM 0 HG21 THR A 75 -17.489 -0.668 5.004 1.00 0.85 H new ATOM 0 HG22 THR A 75 -17.549 -1.085 3.275 1.00 0.85 H new ATOM 0 HG23 THR A 75 -15.999 -1.129 4.147 1.00 0.85 H new ATOM 1069 N ALA A 76 -16.647 3.262 1.842 1.00 0.70 N ATOM 1070 CA ALA A 76 -16.462 4.668 1.522 1.00 0.71 C ATOM 1071 C ALA A 76 -15.549 5.309 2.569 1.00 0.71 C ATOM 1072 O ALA A 76 -15.126 4.649 3.517 1.00 0.85 O ATOM 1073 CB ALA A 76 -17.825 5.355 1.437 1.00 0.75 C ATOM 0 H ALA A 76 -17.620 2.961 1.896 1.00 0.70 H new ATOM 0 HA ALA A 76 -15.979 4.781 0.551 1.00 0.71 H new ATOM 0 HB1 ALA A 76 -17.687 6.409 1.197 1.00 0.75 H new ATOM 0 HB2 ALA A 76 -18.423 4.881 0.659 1.00 0.75 H new ATOM 0 HB3 ALA A 76 -18.338 5.265 2.394 1.00 0.75 H new ATOM 1079 N GLY A 77 -15.273 6.589 2.363 1.00 0.76 N ATOM 1080 CA GLY A 77 -14.419 7.326 3.277 1.00 0.80 C ATOM 1081 C GLY A 77 -13.066 7.637 2.633 1.00 0.76 C ATOM 1082 O GLY A 77 -12.980 7.834 1.422 1.00 0.75 O ATOM 0 H GLY A 77 -15.626 7.134 1.576 1.00 0.76 H new ATOM 0 HA2 GLY A 77 -14.909 8.255 3.569 1.00 0.80 H new ATOM 0 HA3 GLY A 77 -14.268 6.746 4.187 1.00 0.80 H new ATOM 1086 N THR A 78 -12.041 7.671 3.473 1.00 0.79 N ATOM 1087 CA THR A 78 -10.697 7.955 3.001 1.00 0.77 C ATOM 1088 C THR A 78 -9.679 7.077 3.733 1.00 0.72 C ATOM 1089 O THR A 78 -9.829 6.806 4.923 1.00 0.81 O ATOM 1090 CB THR A 78 -10.441 9.453 3.172 1.00 0.85 C ATOM 1091 OG1 THR A 78 -11.436 10.070 2.360 1.00 1.10 O ATOM 1092 CG2 THR A 78 -9.119 9.897 2.543 1.00 0.94 C ATOM 0 H THR A 78 -12.115 7.507 4.477 1.00 0.79 H new ATOM 0 HA THR A 78 -10.590 7.712 1.944 1.00 0.77 H new ATOM 0 HB THR A 78 -10.439 9.702 4.233 1.00 0.85 H new ATOM 0 HG1 THR A 78 -11.791 10.859 2.820 1.00 1.10 H new ATOM 0 HG21 THR A 78 -8.986 10.968 2.693 1.00 0.94 H new ATOM 0 HG22 THR A 78 -8.294 9.360 3.012 1.00 0.94 H new ATOM 0 HG23 THR A 78 -9.133 9.679 1.475 1.00 0.94 H new ATOM 1100 N TYR A 79 -8.664 6.658 2.991 1.00 0.62 N ATOM 1101 CA TYR A 79 -7.623 5.816 3.555 1.00 0.58 C ATOM 1102 C TYR A 79 -6.261 6.144 2.937 1.00 0.59 C ATOM 1103 O TYR A 79 -6.188 6.758 1.875 1.00 0.60 O ATOM 1104 CB TYR A 79 -8.000 4.378 3.194 1.00 0.53 C ATOM 1105 CG TYR A 79 -9.464 4.031 3.474 1.00 0.53 C ATOM 1106 CD1 TYR A 79 -10.467 4.616 2.728 1.00 1.81 C ATOM 1107 CD2 TYR A 79 -9.781 3.132 4.472 1.00 1.65 C ATOM 1108 CE1 TYR A 79 -11.844 4.290 2.991 1.00 1.88 C ATOM 1109 CE2 TYR A 79 -11.159 2.806 4.734 1.00 1.62 C ATOM 1110 CZ TYR A 79 -12.122 3.400 3.981 1.00 0.68 C ATOM 1111 OH TYR A 79 -13.423 3.092 4.229 1.00 0.80 O ATOM 0 H TYR A 79 -8.541 6.886 2.004 1.00 0.62 H new ATOM 0 HA TYR A 79 -7.546 5.969 4.631 1.00 0.58 H new ATOM 0 HB2 TYR A 79 -7.794 4.214 2.136 1.00 0.53 H new ATOM 0 HB3 TYR A 79 -7.362 3.694 3.753 1.00 0.53 H new ATOM 0 HD1 TYR A 79 -10.219 5.319 1.946 1.00 1.81 H new ATOM 0 HD2 TYR A 79 -8.997 2.674 5.056 1.00 1.65 H new ATOM 0 HE1 TYR A 79 -12.638 4.742 2.415 1.00 1.88 H new ATOM 0 HE2 TYR A 79 -11.422 2.105 5.512 1.00 1.62 H new ATOM 0 HH TYR A 79 -13.986 3.446 3.509 1.00 0.80 H new ATOM 1121 N LYS A 80 -5.215 5.717 3.631 1.00 0.64 N ATOM 1122 CA LYS A 80 -3.860 5.956 3.165 1.00 0.69 C ATOM 1123 C LYS A 80 -3.025 4.691 3.367 1.00 0.70 C ATOM 1124 O LYS A 80 -2.782 4.277 4.499 1.00 0.74 O ATOM 1125 CB LYS A 80 -3.272 7.197 3.842 1.00 0.80 C ATOM 1126 CG LYS A 80 -1.783 7.342 3.519 1.00 1.05 C ATOM 1127 CD LYS A 80 -0.946 7.375 4.799 1.00 1.81 C ATOM 1128 CE LYS A 80 0.207 8.374 4.675 1.00 1.97 C ATOM 1129 NZ LYS A 80 -0.264 9.746 4.974 1.00 2.16 N ATOM 0 H LYS A 80 -5.279 5.207 4.512 1.00 0.64 H new ATOM 0 HA LYS A 80 -3.857 6.172 2.097 1.00 0.69 H new ATOM 0 HB2 LYS A 80 -3.808 8.086 3.510 1.00 0.80 H new ATOM 0 HB3 LYS A 80 -3.409 7.127 4.921 1.00 0.80 H new ATOM 0 HG2 LYS A 80 -1.461 6.512 2.891 1.00 1.05 H new ATOM 0 HG3 LYS A 80 -1.618 8.256 2.949 1.00 1.05 H new ATOM 0 HD2 LYS A 80 -1.578 7.647 5.644 1.00 1.81 H new ATOM 0 HD3 LYS A 80 -0.550 6.381 5.004 1.00 1.81 H new ATOM 0 HE2 LYS A 80 1.009 8.100 5.361 1.00 1.97 H new ATOM 0 HE3 LYS A 80 0.622 8.337 3.668 1.00 1.97 H new ATOM 0 HZ1 LYS A 80 0.530 10.412 4.886 1.00 2.16 H new ATOM 0 HZ2 LYS A 80 -1.014 10.010 4.303 1.00 2.16 H new ATOM 0 HZ3 LYS A 80 -0.639 9.781 5.943 1.00 2.16 H new ATOM 1143 N VAL A 81 -2.609 4.111 2.251 1.00 0.68 N ATOM 1144 CA VAL A 81 -1.806 2.900 2.291 1.00 0.70 C ATOM 1145 C VAL A 81 -0.331 3.277 2.452 1.00 0.83 C ATOM 1146 O VAL A 81 0.087 4.356 2.036 1.00 1.62 O ATOM 1147 CB VAL A 81 -2.072 2.054 1.045 1.00 0.65 C ATOM 1148 CG1 VAL A 81 -1.332 0.717 1.120 1.00 0.78 C ATOM 1149 CG2 VAL A 81 -3.573 1.838 0.840 1.00 0.60 C ATOM 0 H VAL A 81 -2.813 4.457 1.313 1.00 0.68 H new ATOM 0 HA VAL A 81 -2.082 2.287 3.149 1.00 0.70 H new ATOM 0 HB VAL A 81 -1.690 2.600 0.182 1.00 0.65 H new ATOM 0 HG11 VAL A 81 -1.539 0.136 0.221 1.00 0.78 H new ATOM 0 HG12 VAL A 81 -0.260 0.898 1.196 1.00 0.78 H new ATOM 0 HG13 VAL A 81 -1.669 0.163 1.996 1.00 0.78 H new ATOM 0 HG21 VAL A 81 -3.735 1.234 -0.052 1.00 0.60 H new ATOM 0 HG22 VAL A 81 -3.988 1.324 1.707 1.00 0.60 H new ATOM 0 HG23 VAL A 81 -4.066 2.802 0.719 1.00 0.60 H new ATOM 1159 N ASP A 82 0.416 2.367 3.059 1.00 0.41 N ATOM 1160 CA ASP A 82 1.834 2.589 3.281 1.00 0.42 C ATOM 1161 C ASP A 82 2.610 1.323 2.911 1.00 0.40 C ATOM 1162 O ASP A 82 2.340 0.247 3.443 1.00 0.49 O ATOM 1163 CB ASP A 82 2.119 2.904 4.751 1.00 0.51 C ATOM 1164 CG ASP A 82 1.552 4.235 5.249 1.00 0.61 C ATOM 1165 OD1 ASP A 82 0.407 4.306 5.719 1.00 1.64 O ATOM 1166 OD2 ASP A 82 2.351 5.243 5.137 1.00 1.93 O ATOM 0 H ASP A 82 0.065 1.474 3.404 1.00 0.41 H new ATOM 0 HA ASP A 82 2.142 3.433 2.664 1.00 0.42 H new ATOM 0 HB2 ASP A 82 1.712 2.101 5.365 1.00 0.51 H new ATOM 0 HB3 ASP A 82 3.198 2.906 4.904 1.00 0.51 H new ATOM 1171 N TRP A 83 3.557 1.493 2.000 1.00 0.38 N ATOM 1172 CA TRP A 83 4.372 0.377 1.552 1.00 0.39 C ATOM 1173 C TRP A 83 5.826 0.672 1.930 1.00 0.45 C ATOM 1174 O TRP A 83 6.199 1.828 2.122 1.00 0.47 O ATOM 1175 CB TRP A 83 4.184 0.126 0.055 1.00 0.40 C ATOM 1176 CG TRP A 83 4.318 1.382 -0.809 1.00 0.39 C ATOM 1177 CD1 TRP A 83 3.338 2.133 -1.331 1.00 0.42 C ATOM 1178 CD2 TRP A 83 5.548 2.008 -1.231 1.00 0.42 C ATOM 1179 NE1 TRP A 83 3.845 3.192 -2.057 1.00 0.47 N ATOM 1180 CE2 TRP A 83 5.231 3.114 -1.994 1.00 0.48 C ATOM 1181 CE3 TRP A 83 6.883 1.652 -0.977 1.00 0.45 C ATOM 1182 CZ2 TRP A 83 6.195 3.953 -2.565 1.00 0.56 C ATOM 1183 CZ3 TRP A 83 7.835 2.501 -1.554 1.00 0.53 C ATOM 1184 CH2 TRP A 83 7.533 3.618 -2.325 1.00 0.58 C ATOM 0 H TRP A 83 3.778 2.386 1.560 1.00 0.38 H new ATOM 0 HA TRP A 83 4.064 -0.546 2.043 1.00 0.39 H new ATOM 0 HB2 TRP A 83 4.918 -0.609 -0.275 1.00 0.40 H new ATOM 0 HB3 TRP A 83 3.199 -0.312 -0.109 1.00 0.40 H new ATOM 0 HD1 TRP A 83 2.284 1.935 -1.200 1.00 0.42 H new ATOM 0 HE1 TRP A 83 3.302 3.901 -2.549 1.00 0.47 H new ATOM 0 HE3 TRP A 83 7.154 0.791 -0.383 1.00 0.45 H new ATOM 0 HZ2 TRP A 83 5.921 4.813 -3.159 1.00 0.56 H new ATOM 0 HZ3 TRP A 83 8.877 2.272 -1.389 1.00 0.53 H new ATOM 0 HH2 TRP A 83 8.327 4.224 -2.737 1.00 0.58 H new ATOM 1195 N ARG A 84 6.607 -0.394 2.026 1.00 0.52 N ATOM 1196 CA ARG A 84 8.010 -0.264 2.378 1.00 0.59 C ATOM 1197 C ARG A 84 8.840 -1.325 1.652 1.00 0.62 C ATOM 1198 O ARG A 84 8.663 -2.520 1.880 1.00 0.72 O ATOM 1199 CB ARG A 84 8.216 -0.411 3.887 1.00 0.66 C ATOM 1200 CG ARG A 84 8.280 0.958 4.568 1.00 0.77 C ATOM 1201 CD ARG A 84 7.146 1.120 5.582 1.00 1.17 C ATOM 1202 NE ARG A 84 7.622 0.756 6.935 1.00 1.57 N ATOM 1203 CZ ARG A 84 6.999 1.114 8.078 1.00 1.94 C ATOM 1204 NH1 ARG A 84 5.867 1.849 8.040 1.00 2.81 N ATOM 1205 NH2 ARG A 84 7.512 0.732 9.233 1.00 3.00 N ATOM 0 H ARG A 84 6.294 -1.352 1.866 1.00 0.52 H new ATOM 0 HA ARG A 84 8.337 0.730 2.073 1.00 0.59 H new ATOM 0 HB2 ARG A 84 7.401 -0.996 4.314 1.00 0.66 H new ATOM 0 HB3 ARG A 84 9.137 -0.961 4.080 1.00 0.66 H new ATOM 0 HG2 ARG A 84 9.241 1.074 5.070 1.00 0.77 H new ATOM 0 HG3 ARG A 84 8.216 1.745 3.817 1.00 0.77 H new ATOM 0 HD2 ARG A 84 6.788 2.149 5.578 1.00 1.17 H new ATOM 0 HD3 ARG A 84 6.303 0.488 5.302 1.00 1.17 H new ATOM 0 HE ARG A 84 8.474 0.200 7.009 1.00 1.57 H new ATOM 0 HH11 ARG A 84 5.476 2.138 7.143 1.00 2.81 H new ATOM 0 HH12 ARG A 84 5.402 2.115 8.908 1.00 2.81 H new ATOM 0 HH21 ARG A 84 8.366 0.175 9.252 1.00 3.00 H new ATOM 0 HH22 ARG A 84 7.054 0.994 10.106 1.00 3.00 H new ATOM 1324 N ILE A 93 13.214 1.797 1.778 1.00 0.66 N ATOM 1325 CA ILE A 93 12.328 2.588 0.942 1.00 0.67 C ATOM 1326 C ILE A 93 10.924 2.587 1.552 1.00 0.65 C ATOM 1327 O ILE A 93 10.383 1.530 1.872 1.00 1.00 O ATOM 1328 CB ILE A 93 12.370 2.091 -0.504 1.00 0.86 C ATOM 1329 CG1 ILE A 93 13.788 2.182 -1.074 1.00 1.31 C ATOM 1330 CG2 ILE A 93 11.355 2.839 -1.371 1.00 1.48 C ATOM 1331 CD1 ILE A 93 14.229 3.641 -1.213 1.00 2.57 C ATOM 0 HA ILE A 93 12.661 3.625 0.908 1.00 0.67 H new ATOM 0 HB ILE A 93 12.086 1.039 -0.512 1.00 0.86 H new ATOM 0 HG12 ILE A 93 14.481 1.649 -0.423 1.00 1.31 H new ATOM 0 HG13 ILE A 93 13.825 1.693 -2.047 1.00 1.31 H new ATOM 0 HG21 ILE A 93 11.406 2.466 -2.394 1.00 1.48 H new ATOM 0 HG22 ILE A 93 10.352 2.680 -0.976 1.00 1.48 H new ATOM 0 HG23 ILE A 93 11.584 3.905 -1.361 1.00 1.48 H new ATOM 0 HD11 ILE A 93 15.240 3.678 -1.620 1.00 2.57 H new ATOM 0 HD12 ILE A 93 13.548 4.165 -1.884 1.00 2.57 H new ATOM 0 HD13 ILE A 93 14.214 4.120 -0.234 1.00 2.57 H new ATOM 1343 N THR A 94 10.375 3.785 1.694 1.00 0.55 N ATOM 1344 CA THR A 94 9.045 3.936 2.258 1.00 0.53 C ATOM 1345 C THR A 94 8.185 4.834 1.367 1.00 0.55 C ATOM 1346 O THR A 94 8.697 5.752 0.727 1.00 0.70 O ATOM 1347 CB THR A 94 9.195 4.462 3.688 1.00 0.61 C ATOM 1348 OG1 THR A 94 9.803 5.741 3.524 1.00 0.68 O ATOM 1349 CG2 THR A 94 10.217 3.665 4.501 1.00 0.72 C ATOM 0 H THR A 94 10.827 4.660 1.428 1.00 0.55 H new ATOM 0 HA THR A 94 8.523 2.980 2.301 1.00 0.53 H new ATOM 0 HB THR A 94 8.228 4.430 4.190 1.00 0.61 H new ATOM 0 HG1 THR A 94 9.936 6.155 4.402 1.00 0.68 H new ATOM 0 HG21 THR A 94 10.285 4.079 5.507 1.00 0.72 H new ATOM 0 HG22 THR A 94 9.903 2.623 4.558 1.00 0.72 H new ATOM 0 HG23 THR A 94 11.192 3.724 4.018 1.00 0.72 H new ATOM 1357 N GLY A 95 6.894 4.538 1.353 1.00 0.52 N ATOM 1358 CA GLY A 95 5.959 5.308 0.551 1.00 0.59 C ATOM 1359 C GLY A 95 4.515 5.032 0.976 1.00 0.51 C ATOM 1360 O GLY A 95 4.233 4.012 1.602 1.00 0.48 O ATOM 0 H GLY A 95 6.473 3.776 1.884 1.00 0.52 H new ATOM 0 HA2 GLY A 95 6.175 6.371 0.654 1.00 0.59 H new ATOM 0 HA3 GLY A 95 6.086 5.058 -0.502 1.00 0.59 H new ATOM 1364 N SER A 96 3.639 5.961 0.619 1.00 0.60 N ATOM 1365 CA SER A 96 2.232 5.831 0.957 1.00 0.57 C ATOM 1366 C SER A 96 1.368 6.251 -0.233 1.00 0.55 C ATOM 1367 O SER A 96 1.800 7.042 -1.071 1.00 0.59 O ATOM 1368 CB SER A 96 1.881 6.667 2.189 1.00 0.71 C ATOM 1369 OG SER A 96 2.995 6.819 3.066 1.00 0.97 O ATOM 0 H SER A 96 3.877 6.806 0.099 1.00 0.60 H new ATOM 0 HA SER A 96 2.032 4.786 1.193 1.00 0.57 H new ATOM 0 HB2 SER A 96 1.532 7.650 1.873 1.00 0.71 H new ATOM 0 HB3 SER A 96 1.059 6.194 2.726 1.00 0.71 H new ATOM 0 HG SER A 96 2.766 6.464 3.950 1.00 0.97 H new ATOM 1375 N VAL A 97 0.162 5.704 -0.271 1.00 0.52 N ATOM 1376 CA VAL A 97 -0.766 6.011 -1.346 1.00 0.50 C ATOM 1377 C VAL A 97 -2.132 6.358 -0.749 1.00 0.51 C ATOM 1378 O VAL A 97 -2.813 5.491 -0.203 1.00 0.57 O ATOM 1379 CB VAL A 97 -0.825 4.847 -2.337 1.00 0.50 C ATOM 1380 CG1 VAL A 97 -1.365 5.308 -3.693 1.00 0.48 C ATOM 1381 CG2 VAL A 97 0.547 4.187 -2.490 1.00 0.69 C ATOM 0 H VAL A 97 -0.194 5.050 0.426 1.00 0.52 H new ATOM 0 HA VAL A 97 -0.425 6.880 -1.908 1.00 0.50 H new ATOM 0 HB VAL A 97 -1.513 4.102 -1.938 1.00 0.50 H new ATOM 0 HG11 VAL A 97 -1.397 4.461 -4.379 1.00 0.48 H new ATOM 0 HG12 VAL A 97 -2.370 5.710 -3.567 1.00 0.48 H new ATOM 0 HG13 VAL A 97 -0.713 6.081 -4.100 1.00 0.48 H new ATOM 0 HG21 VAL A 97 0.477 3.363 -3.200 1.00 0.69 H new ATOM 0 HG22 VAL A 97 1.265 4.921 -2.856 1.00 0.69 H new ATOM 0 HG23 VAL A 97 0.877 3.806 -1.524 1.00 0.69 H new ATOM 1391 N THR A 98 -2.492 7.626 -0.874 1.00 0.48 N ATOM 1392 CA THR A 98 -3.765 8.098 -0.355 1.00 0.50 C ATOM 1393 C THR A 98 -4.854 7.977 -1.422 1.00 0.47 C ATOM 1394 O THR A 98 -4.599 8.201 -2.604 1.00 0.45 O ATOM 1395 CB THR A 98 -3.568 9.528 0.152 1.00 0.53 C ATOM 1396 OG1 THR A 98 -4.793 9.834 0.813 1.00 0.62 O ATOM 1397 CG2 THR A 98 -3.493 10.548 -0.986 1.00 0.44 C ATOM 0 H THR A 98 -1.925 8.342 -1.327 1.00 0.48 H new ATOM 0 HA THR A 98 -4.103 7.485 0.480 1.00 0.50 H new ATOM 0 HB THR A 98 -2.655 9.580 0.746 1.00 0.53 H new ATOM 0 HG1 THR A 98 -4.751 10.744 1.174 1.00 0.62 H new ATOM 0 HG21 THR A 98 -3.353 11.546 -0.571 1.00 0.44 H new ATOM 0 HG22 THR A 98 -2.654 10.305 -1.638 1.00 0.44 H new ATOM 0 HG23 THR A 98 -4.419 10.521 -1.561 1.00 0.44 H new ATOM 1405 N PHE A 99 -6.047 7.623 -0.966 1.00 0.51 N ATOM 1406 CA PHE A 99 -7.177 7.469 -1.866 1.00 0.50 C ATOM 1407 C PHE A 99 -8.501 7.608 -1.114 1.00 0.50 C ATOM 1408 O PHE A 99 -8.591 7.256 0.062 1.00 0.47 O ATOM 1409 CB PHE A 99 -7.088 6.062 -2.461 1.00 0.45 C ATOM 1410 CG PHE A 99 -7.521 4.953 -1.501 1.00 0.43 C ATOM 1411 CD1 PHE A 99 -8.843 4.682 -1.328 1.00 1.94 C ATOM 1412 CD2 PHE A 99 -6.586 4.236 -0.822 1.00 1.58 C ATOM 1413 CE1 PHE A 99 -9.246 3.652 -0.437 1.00 1.95 C ATOM 1414 CE2 PHE A 99 -6.989 3.207 0.069 1.00 1.56 C ATOM 1415 CZ PHE A 99 -8.310 2.936 0.243 1.00 0.44 C ATOM 0 H PHE A 99 -6.255 7.438 0.015 1.00 0.51 H new ATOM 0 HA PHE A 99 -7.145 8.239 -2.636 1.00 0.50 H new ATOM 0 HB2 PHE A 99 -7.709 6.017 -3.356 1.00 0.45 H new ATOM 0 HB3 PHE A 99 -6.061 5.876 -2.776 1.00 0.45 H new ATOM 0 HD1 PHE A 99 -9.586 5.250 -1.868 1.00 1.94 H new ATOM 0 HD2 PHE A 99 -5.536 4.450 -0.961 1.00 1.58 H new ATOM 0 HE1 PHE A 99 -10.295 3.437 -0.299 1.00 1.95 H new ATOM 0 HE2 PHE A 99 -6.246 2.639 0.609 1.00 1.56 H new ATOM 0 HZ PHE A 99 -8.616 2.153 0.921 1.00 0.44 H new ATOM 1425 N LYS A 100 -9.497 8.122 -1.821 1.00 0.55 N ATOM 1426 CA LYS A 100 -10.812 8.312 -1.234 1.00 0.56 C ATOM 1427 C LYS A 100 -11.778 7.275 -1.812 1.00 0.51 C ATOM 1428 O LYS A 100 -11.454 6.592 -2.782 1.00 0.51 O ATOM 1429 CB LYS A 100 -11.278 9.758 -1.420 1.00 0.69 C ATOM 1430 CG LYS A 100 -10.409 10.722 -0.610 1.00 0.75 C ATOM 1431 CD LYS A 100 -11.265 11.793 0.069 1.00 1.74 C ATOM 1432 CE LYS A 100 -11.287 13.081 -0.755 1.00 1.81 C ATOM 1433 NZ LYS A 100 -12.554 13.815 -0.537 1.00 2.81 N ATOM 0 H LYS A 100 -9.419 8.413 -2.796 1.00 0.55 H new ATOM 0 HA LYS A 100 -10.776 8.149 -0.157 1.00 0.56 H new ATOM 0 HB2 LYS A 100 -11.236 10.025 -2.476 1.00 0.69 H new ATOM 0 HB3 LYS A 100 -12.318 9.852 -1.109 1.00 0.69 H new ATOM 0 HG2 LYS A 100 -9.849 10.167 0.143 1.00 0.75 H new ATOM 0 HG3 LYS A 100 -9.678 11.197 -1.265 1.00 0.75 H new ATOM 0 HD2 LYS A 100 -12.282 11.423 0.199 1.00 1.74 H new ATOM 0 HD3 LYS A 100 -10.872 12.001 1.064 1.00 1.74 H new ATOM 0 HE2 LYS A 100 -10.442 13.712 -0.478 1.00 1.81 H new ATOM 0 HE3 LYS A 100 -11.174 12.845 -1.813 1.00 1.81 H new ATOM 0 HZ1 LYS A 100 -12.552 14.687 -1.104 1.00 2.81 H new ATOM 0 HZ2 LYS A 100 -13.355 13.217 -0.824 1.00 2.81 H new ATOM 0 HZ3 LYS A 100 -12.646 14.057 0.470 1.00 2.81 H new ATOM 1447 N VAL A 101 -12.947 7.192 -1.192 1.00 0.53 N ATOM 1448 CA VAL A 101 -13.961 6.251 -1.632 1.00 0.55 C ATOM 1449 C VAL A 101 -15.345 6.882 -1.463 1.00 0.59 C ATOM 1450 O VAL A 101 -15.683 7.365 -0.383 1.00 0.61 O ATOM 1451 CB VAL A 101 -13.812 4.928 -0.877 1.00 0.57 C ATOM 1452 CG1 VAL A 101 -14.843 3.904 -1.357 1.00 0.68 C ATOM 1453 CG2 VAL A 101 -12.390 4.378 -1.011 1.00 0.54 C ATOM 0 H VAL A 101 -13.213 7.761 -0.389 1.00 0.53 H new ATOM 0 HA VAL A 101 -13.834 6.022 -2.690 1.00 0.55 H new ATOM 0 HB VAL A 101 -13.999 5.122 0.179 1.00 0.57 H new ATOM 0 HG11 VAL A 101 -14.715 2.973 -0.805 1.00 0.68 H new ATOM 0 HG12 VAL A 101 -15.847 4.292 -1.187 1.00 0.68 H new ATOM 0 HG13 VAL A 101 -14.701 3.717 -2.421 1.00 0.68 H new ATOM 0 HG21 VAL A 101 -12.311 3.438 -0.466 1.00 0.54 H new ATOM 0 HG22 VAL A 101 -12.164 4.207 -2.063 1.00 0.54 H new ATOM 0 HG23 VAL A 101 -11.682 5.097 -0.600 1.00 0.54 H new ATOM 1463 N LYS A 102 -16.108 6.860 -2.546 1.00 0.63 N ATOM 1464 CA LYS A 102 -17.446 7.424 -2.531 1.00 0.68 C ATOM 1465 C LYS A 102 -18.470 6.303 -2.717 1.00 0.77 C ATOM 1466 O LYS A 102 -19.660 6.565 -2.885 1.00 1.37 O ATOM 1467 CB LYS A 102 -17.566 8.545 -3.565 1.00 0.72 C ATOM 1468 CG LYS A 102 -16.574 9.672 -3.270 1.00 0.78 C ATOM 1469 CD LYS A 102 -17.297 10.917 -2.752 1.00 1.10 C ATOM 1470 CE LYS A 102 -16.309 11.903 -2.124 1.00 1.58 C ATOM 1471 NZ LYS A 102 -16.943 12.626 -0.999 1.00 2.52 N ATOM 1472 OXT LYS A 102 -18.104 5.164 -2.997 1.00 1.08 O ATOM 0 H LYS A 102 -15.824 6.460 -3.440 1.00 0.63 H new ATOM 0 HA LYS A 102 -17.653 7.888 -1.567 1.00 0.68 H new ATOM 0 HB2 LYS A 102 -17.382 8.146 -4.562 1.00 0.72 H new ATOM 0 HB3 LYS A 102 -18.582 8.940 -3.562 1.00 0.72 H new ATOM 0 HG2 LYS A 102 -15.846 9.336 -2.532 1.00 0.78 H new ATOM 0 HG3 LYS A 102 -16.019 9.919 -4.175 1.00 0.78 H new ATOM 0 HD2 LYS A 102 -17.828 11.401 -3.572 1.00 1.10 H new ATOM 0 HD3 LYS A 102 -18.045 10.627 -2.014 1.00 1.10 H new ATOM 0 HE2 LYS A 102 -15.428 11.368 -1.770 1.00 1.58 H new ATOM 0 HE3 LYS A 102 -15.969 12.615 -2.876 1.00 1.58 H new ATOM 0 HZ1 LYS A 102 -16.259 13.291 -0.584 1.00 2.52 H new ATOM 0 HZ2 LYS A 102 -17.770 13.152 -1.346 1.00 2.52 H new ATOM 0 HZ3 LYS A 102 -17.246 11.944 -0.275 1.00 2.52 H new