USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 16 SER OG : rot 143:sc= 1.22 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0703 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 15 TYR OH : rot -128:sc= 1.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0.707 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.281 F(o=-2.4,f=-0.28) USER MOD Single : A 29 SER OG : rot 61:sc= 1.28 USER MOD Single : A 30 MET CE :methyl 155:sc= -0.249 (180deg=-1.05) USER MOD Single : A 51 GLN : amide:sc= 0.406 K(o=0.41,f=-6.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00171 USER MOD Single : A 56 GLN : amide:sc= -0.584 X(o=-0.58,f=-0.11) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.0899 (180deg=-0.48) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 12.307 -6.338 -6.343 1.00 0.00 N ATOM 89 CA SER A 7 12.817 -6.959 -5.134 1.00 0.00 C ATOM 90 C SER A 7 11.970 -8.181 -4.784 1.00 0.00 C ATOM 91 O SER A 7 12.265 -9.290 -5.227 1.00 0.00 O ATOM 92 CB SER A 7 12.838 -5.957 -3.973 1.00 0.00 C ATOM 93 OG SER A 7 13.385 -6.537 -2.799 1.00 0.00 O ATOM 0 HA SER A 7 13.843 -7.282 -5.310 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.424 -5.082 -4.256 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.825 -5.610 -3.771 1.00 0.00 H new ATOM 0 HG SER A 7 13.387 -5.874 -2.077 1.00 0.00 H new ATOM 99 N ARG A 8 10.896 -7.965 -4.026 1.00 0.00 N ATOM 100 CA ARG A 8 9.993 -9.031 -3.617 1.00 0.00 C ATOM 101 C ARG A 8 8.626 -8.440 -3.322 1.00 0.00 C ATOM 102 O ARG A 8 8.524 -7.263 -2.984 1.00 0.00 O ATOM 103 CB ARG A 8 10.545 -9.770 -2.390 1.00 0.00 C ATOM 104 CG ARG A 8 11.617 -10.787 -2.748 1.00 0.00 C ATOM 105 CD ARG A 8 12.429 -11.247 -1.542 1.00 0.00 C ATOM 106 NE ARG A 8 11.691 -12.140 -0.643 1.00 0.00 N ATOM 107 CZ ARG A 8 11.286 -13.374 -0.965 1.00 0.00 C ATOM 108 NH1 ARG A 8 11.424 -13.828 -2.207 1.00 0.00 N ATOM 109 NH2 ARG A 8 10.742 -14.151 -0.041 1.00 0.00 N ATOM 0 H ARG A 8 10.630 -7.043 -3.679 1.00 0.00 H new ATOM 0 HA ARG A 8 9.903 -9.757 -4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.959 -9.044 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.727 -10.276 -1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.147 -11.653 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.290 -10.353 -3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.326 -11.758 -1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.759 -10.372 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 8 11.471 -11.797 0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.842 -13.234 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.112 -14.770 -2.443 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.633 -13.808 0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.432 -15.092 -0.284 1.00 0.00 H new ATOM 123 N SER A 9 7.582 -9.239 -3.472 1.00 0.00 N ATOM 124 CA SER A 9 6.223 -8.758 -3.273 1.00 0.00 C ATOM 125 C SER A 9 6.005 -8.312 -1.830 1.00 0.00 C ATOM 126 O SER A 9 6.575 -8.879 -0.890 1.00 0.00 O ATOM 127 CB SER A 9 5.218 -9.842 -3.649 1.00 0.00 C ATOM 128 OG SER A 9 5.360 -10.222 -5.005 1.00 0.00 O ATOM 0 H SER A 9 7.649 -10.223 -3.731 1.00 0.00 H new ATOM 0 HA SER A 9 6.071 -7.895 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.360 -10.712 -3.008 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.205 -9.479 -3.474 1.00 0.00 H new ATOM 0 HG SER A 9 4.705 -10.919 -5.220 1.00 0.00 H new ATOM 134 N TYR A 10 5.182 -7.291 -1.666 1.00 0.00 N ATOM 135 CA TYR A 10 4.921 -6.728 -0.353 1.00 0.00 C ATOM 136 C TYR A 10 3.450 -6.895 0.002 1.00 0.00 C ATOM 137 O TYR A 10 2.571 -6.474 -0.745 1.00 0.00 O ATOM 138 CB TYR A 10 5.296 -5.244 -0.320 1.00 0.00 C ATOM 139 CG TYR A 10 6.687 -4.948 -0.839 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.817 -5.291 -0.105 1.00 0.00 C ATOM 141 CD2 TYR A 10 6.869 -4.320 -2.066 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.087 -5.018 -0.578 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.133 -4.044 -2.547 1.00 0.00 C ATOM 144 CZ TYR A 10 9.240 -4.395 -1.801 1.00 0.00 C ATOM 145 OH TYR A 10 10.505 -4.128 -2.280 1.00 0.00 O ATOM 0 H TYR A 10 4.682 -6.834 -2.428 1.00 0.00 H new ATOM 0 HA TYR A 10 5.531 -7.259 0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.572 -4.684 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.218 -4.883 0.705 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.701 -5.779 0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.006 -4.043 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.954 -5.290 0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.255 -3.556 -3.503 1.00 0.00 H new ATOM 0 HH TYR A 10 10.438 -3.688 -3.153 1.00 0.00 H new ATOM 155 N ARG A 11 3.191 -7.506 1.142 1.00 0.00 N ATOM 156 CA ARG A 11 1.836 -7.768 1.589 1.00 0.00 C ATOM 157 C ARG A 11 1.355 -6.667 2.524 1.00 0.00 C ATOM 158 O ARG A 11 2.154 -5.996 3.181 1.00 0.00 O ATOM 159 CB ARG A 11 1.759 -9.130 2.284 1.00 0.00 C ATOM 160 CG ARG A 11 2.834 -9.332 3.338 1.00 0.00 C ATOM 161 CD ARG A 11 2.792 -10.731 3.923 1.00 0.00 C ATOM 162 NE ARG A 11 3.915 -10.975 4.828 1.00 0.00 N ATOM 163 CZ ARG A 11 3.941 -11.950 5.737 1.00 0.00 C ATOM 164 NH1 ARG A 11 2.907 -12.776 5.863 1.00 0.00 N ATOM 165 NH2 ARG A 11 5.000 -12.110 6.521 1.00 0.00 N ATOM 0 H ARG A 11 3.913 -7.834 1.784 1.00 0.00 H new ATOM 0 HA ARG A 11 1.184 -7.784 0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.779 -9.237 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.843 -9.917 1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.814 -9.152 2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.704 -8.600 4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.854 -10.872 4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.810 -11.463 3.116 1.00 0.00 H new ATOM 0 HE ARG A 11 4.727 -10.362 4.759 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.090 -12.665 5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.931 -13.521 6.560 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.801 -11.485 6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.013 -12.858 7.214 1.00 0.00 H new ATOM 179 N ILE A 12 0.049 -6.490 2.573 1.00 0.00 N ATOM 180 CA ILE A 12 -0.547 -5.445 3.391 1.00 0.00 C ATOM 181 C ILE A 12 -0.953 -6.007 4.742 1.00 0.00 C ATOM 182 O ILE A 12 -1.776 -6.923 4.815 1.00 0.00 O ATOM 183 CB ILE A 12 -1.803 -4.841 2.719 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.537 -4.554 1.238 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.234 -3.569 3.442 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.747 -4.041 0.488 1.00 0.00 C ATOM 0 H ILE A 12 -0.623 -7.056 2.056 1.00 0.00 H new ATOM 0 HA ILE A 12 0.203 -4.663 3.511 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.613 -5.568 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.734 -3.821 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.184 -5.467 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.119 -3.157 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.465 -3.802 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.426 -2.838 3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.480 -3.861 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.545 -4.782 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.088 -3.110 0.941 1.00 0.00 H new ATOM 198 N THR A 13 -0.380 -5.469 5.805 1.00 0.00 N ATOM 199 CA THR A 13 -0.711 -5.916 7.147 1.00 0.00 C ATOM 200 C THR A 13 -1.797 -5.047 7.766 1.00 0.00 C ATOM 201 O THR A 13 -2.437 -5.442 8.743 1.00 0.00 O ATOM 202 CB THR A 13 0.525 -5.922 8.060 1.00 0.00 C ATOM 203 OG1 THR A 13 1.318 -4.750 7.820 1.00 0.00 O ATOM 204 CG2 THR A 13 1.358 -7.174 7.833 1.00 0.00 C ATOM 0 H THR A 13 0.315 -4.724 5.765 1.00 0.00 H new ATOM 0 HA THR A 13 -1.083 -6.937 7.057 1.00 0.00 H new ATOM 0 HB THR A 13 0.188 -5.919 9.097 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.103 -4.760 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.228 -7.157 8.490 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.756 -8.056 8.051 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.688 -7.208 6.795 1.00 0.00 H new ATOM 212 N GLY A 14 -2.006 -3.863 7.206 1.00 0.00 N ATOM 213 CA GLY A 14 -3.050 -2.993 7.700 1.00 0.00 C ATOM 214 C GLY A 14 -2.854 -1.563 7.268 1.00 0.00 C ATOM 215 O GLY A 14 -2.125 -1.293 6.315 1.00 0.00 O ATOM 0 H GLY A 14 -1.472 -3.492 6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.016 -3.349 7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.075 -3.041 8.789 1.00 0.00 H new ATOM 219 N TYR A 15 -3.507 -0.649 7.963 1.00 0.00 N ATOM 220 CA TYR A 15 -3.371 0.770 7.683 1.00 0.00 C ATOM 221 C TYR A 15 -2.622 1.444 8.819 1.00 0.00 C ATOM 222 O TYR A 15 -2.600 0.938 9.943 1.00 0.00 O ATOM 223 CB TYR A 15 -4.746 1.429 7.525 1.00 0.00 C ATOM 224 CG TYR A 15 -5.620 0.816 6.452 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.367 -0.329 6.704 1.00 0.00 C ATOM 226 CD2 TYR A 15 -5.710 1.390 5.192 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.173 -0.885 5.731 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.516 0.841 4.214 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.247 -0.296 4.489 1.00 0.00 C ATOM 230 OH TYR A 15 -8.050 -0.844 3.517 1.00 0.00 O ATOM 0 H TYR A 15 -4.142 -0.866 8.731 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.818 0.885 6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.272 1.375 8.478 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.604 2.486 7.299 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.316 -0.792 7.678 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.140 2.281 4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.743 -1.778 5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.574 1.300 3.238 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.528 -0.978 2.698 1.00 0.00 H new ATOM 240 N SER A 16 -2.005 2.572 8.529 1.00 0.00 N ATOM 241 CA SER A 16 -1.365 3.358 9.555 1.00 0.00 C ATOM 242 C SER A 16 -2.426 4.045 10.415 1.00 0.00 C ATOM 243 O SER A 16 -3.355 4.649 9.884 1.00 0.00 O ATOM 244 CB SER A 16 -0.447 4.380 8.901 1.00 0.00 C ATOM 245 OG SER A 16 0.541 3.737 8.111 1.00 0.00 O ATOM 0 H SER A 16 -1.935 2.962 7.589 1.00 0.00 H new ATOM 0 HA SER A 16 -0.768 2.715 10.201 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.033 5.056 8.279 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.033 4.988 9.668 1.00 0.00 H new ATOM 0 HG SER A 16 0.707 4.265 7.302 1.00 0.00 H new ATOM 251 N PRO A 17 -2.301 3.966 11.754 1.00 0.00 N ATOM 252 CA PRO A 17 -3.313 4.485 12.695 1.00 0.00 C ATOM 253 C PRO A 17 -3.501 6.005 12.623 1.00 0.00 C ATOM 254 O PRO A 17 -4.280 6.581 13.384 1.00 0.00 O ATOM 255 CB PRO A 17 -2.769 4.082 14.069 1.00 0.00 C ATOM 256 CG PRO A 17 -1.310 3.868 13.862 1.00 0.00 C ATOM 257 CD PRO A 17 -1.166 3.349 12.461 1.00 0.00 C ATOM 0 HA PRO A 17 -4.299 4.080 12.467 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.952 4.861 14.809 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.252 3.176 14.434 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.756 4.798 13.993 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.913 3.156 14.585 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.212 3.639 12.021 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.215 2.261 12.428 1.00 0.00 H new ATOM 265 N ALA A 18 -2.788 6.647 11.710 1.00 0.00 N ATOM 266 CA ALA A 18 -2.912 8.083 11.515 1.00 0.00 C ATOM 267 C ALA A 18 -3.919 8.401 10.412 1.00 0.00 C ATOM 268 O ALA A 18 -4.289 9.557 10.215 1.00 0.00 O ATOM 269 CB ALA A 18 -1.557 8.690 11.182 1.00 0.00 C ATOM 0 H ALA A 18 -2.116 6.194 11.091 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.276 8.521 12.444 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.665 9.765 11.039 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.863 8.501 12.001 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.171 8.239 10.268 1.00 0.00 H new ATOM 275 N ILE A 19 -4.360 7.373 9.695 1.00 0.00 N ATOM 276 CA ILE A 19 -5.294 7.568 8.593 1.00 0.00 C ATOM 277 C ILE A 19 -6.735 7.618 9.105 1.00 0.00 C ATOM 278 O ILE A 19 -7.097 6.924 10.058 1.00 0.00 O ATOM 279 CB ILE A 19 -5.160 6.458 7.516 1.00 0.00 C ATOM 280 CG1 ILE A 19 -5.868 6.884 6.227 1.00 0.00 C ATOM 281 CG2 ILE A 19 -5.730 5.135 8.016 1.00 0.00 C ATOM 282 CD1 ILE A 19 -5.757 5.871 5.109 1.00 0.00 C ATOM 0 H ILE A 19 -4.088 6.403 9.856 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.043 8.522 8.129 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.100 6.314 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.922 7.060 6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.449 7.832 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.622 4.376 7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.190 4.820 8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.786 5.261 8.256 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.282 6.242 4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.707 5.712 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.202 4.928 5.427 1.00 0.00 H new ATOM 294 N SER A 20 -7.545 8.461 8.486 1.00 0.00 N ATOM 295 CA SER A 20 -8.951 8.563 8.838 1.00 0.00 C ATOM 296 C SER A 20 -9.762 7.489 8.108 1.00 0.00 C ATOM 297 O SER A 20 -9.331 6.971 7.073 1.00 0.00 O ATOM 298 CB SER A 20 -9.462 9.962 8.499 1.00 0.00 C ATOM 299 OG SER A 20 -8.693 10.952 9.166 1.00 0.00 O ATOM 0 H SER A 20 -7.252 9.086 7.735 1.00 0.00 H new ATOM 0 HA SER A 20 -9.069 8.399 9.909 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.414 10.121 7.422 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.509 10.052 8.788 1.00 0.00 H new ATOM 0 HG SER A 20 -9.034 11.841 8.935 1.00 0.00 H new ATOM 305 N ASN A 21 -10.936 7.166 8.644 1.00 0.00 N ATOM 306 CA ASN A 21 -11.749 6.067 8.123 1.00 0.00 C ATOM 307 C ASN A 21 -12.207 6.338 6.699 1.00 0.00 C ATOM 308 O ASN A 21 -12.256 5.426 5.879 1.00 0.00 O ATOM 309 CB ASN A 21 -12.973 5.815 9.007 1.00 0.00 C ATOM 310 CG ASN A 21 -12.605 5.404 10.420 1.00 0.00 C ATOM 311 OD1 ASN A 21 -12.459 6.248 11.302 1.00 0.00 O ATOM 312 ND2 ASN A 21 -12.475 4.105 10.653 1.00 0.00 N ATOM 0 H ASN A 21 -11.348 7.651 9.441 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.116 5.179 8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.581 6.719 9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.587 5.036 8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.246 3.775 11.591 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.604 3.435 9.894 1.00 0.00 H new ATOM 319 N GLY A 22 -12.532 7.591 6.405 1.00 0.00 N ATOM 320 CA GLY A 22 -13.021 7.941 5.083 1.00 0.00 C ATOM 321 C GLY A 22 -11.986 7.715 3.998 1.00 0.00 C ATOM 322 O GLY A 22 -12.313 7.224 2.916 1.00 0.00 O ATOM 0 H GLY A 22 -12.466 8.372 7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.910 7.350 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.325 8.988 5.078 1.00 0.00 H new ATOM 326 N TYR A 23 -10.740 8.068 4.280 1.00 0.00 N ATOM 327 CA TYR A 23 -9.665 7.862 3.321 1.00 0.00 C ATOM 328 C TYR A 23 -9.280 6.387 3.282 1.00 0.00 C ATOM 329 O TYR A 23 -8.901 5.859 2.236 1.00 0.00 O ATOM 330 CB TYR A 23 -8.449 8.727 3.668 1.00 0.00 C ATOM 331 CG TYR A 23 -7.605 9.059 2.461 1.00 0.00 C ATOM 332 CD1 TYR A 23 -6.657 8.169 1.984 1.00 0.00 C ATOM 333 CD2 TYR A 23 -7.767 10.266 1.791 1.00 0.00 C ATOM 334 CE1 TYR A 23 -5.902 8.464 0.869 1.00 0.00 C ATOM 335 CE2 TYR A 23 -7.011 10.571 0.676 1.00 0.00 C ATOM 336 CZ TYR A 23 -6.079 9.669 0.221 1.00 0.00 C ATOM 337 OH TYR A 23 -5.331 9.959 -0.899 1.00 0.00 O ATOM 0 H TYR A 23 -10.450 8.496 5.159 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.018 8.162 2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.788 9.652 4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.835 8.206 4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.507 7.229 2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.497 10.978 2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.174 7.754 0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.151 11.512 0.165 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.577 10.846 -1.236 1.00 0.00 H new ATOM 347 N ARG A 24 -9.393 5.727 4.429 1.00 0.00 N ATOM 348 CA ARG A 24 -9.219 4.281 4.523 1.00 0.00 C ATOM 349 C ARG A 24 -10.221 3.591 3.613 1.00 0.00 C ATOM 350 O ARG A 24 -9.927 2.571 3.005 1.00 0.00 O ATOM 351 CB ARG A 24 -9.442 3.849 5.974 1.00 0.00 C ATOM 352 CG ARG A 24 -9.171 2.382 6.246 1.00 0.00 C ATOM 353 CD ARG A 24 -9.586 2.002 7.661 1.00 0.00 C ATOM 354 NE ARG A 24 -9.219 0.627 8.006 1.00 0.00 N ATOM 355 CZ ARG A 24 -10.099 -0.324 8.324 1.00 0.00 C ATOM 356 NH1 ARG A 24 -11.403 -0.070 8.283 1.00 0.00 N ATOM 357 NH2 ARG A 24 -9.674 -1.532 8.678 1.00 0.00 N ATOM 0 H ARG A 24 -9.607 6.177 5.319 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.212 4.004 4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.801 4.449 6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.472 4.072 6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.715 1.769 5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.111 2.173 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.119 2.687 8.369 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.664 2.123 7.764 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.229 0.381 8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.734 0.855 8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.073 -0.800 8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.674 -1.733 8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.347 -2.259 8.921 1.00 0.00 H new ATOM 371 N GLN A 25 -11.400 4.181 3.522 1.00 0.00 N ATOM 372 CA GLN A 25 -12.449 3.689 2.654 1.00 0.00 C ATOM 373 C GLN A 25 -12.056 3.793 1.181 1.00 0.00 C ATOM 374 O GLN A 25 -12.435 2.944 0.378 1.00 0.00 O ATOM 375 CB GLN A 25 -13.744 4.450 2.925 1.00 0.00 C ATOM 376 CG GLN A 25 -14.481 3.963 4.162 1.00 0.00 C ATOM 377 CD GLN A 25 -15.744 4.750 4.450 1.00 0.00 C ATOM 378 OE1 GLN A 25 -15.750 6.025 4.090 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -16.708 4.216 4.993 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.655 5.016 4.050 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.604 2.632 2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.517 5.510 3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.400 4.356 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.737 2.911 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.816 4.027 5.023 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.665 3.231 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.552 4.757 5.181 1.00 0.00 H new ATOM 388 N ARG A 26 -11.288 4.822 0.828 1.00 0.00 N ATOM 389 CA ARG A 26 -10.808 4.972 -0.546 1.00 0.00 C ATOM 390 C ARG A 26 -9.849 3.834 -0.870 1.00 0.00 C ATOM 391 O ARG A 26 -9.896 3.246 -1.952 1.00 0.00 O ATOM 392 CB ARG A 26 -10.123 6.339 -0.738 1.00 0.00 C ATOM 393 CG ARG A 26 -9.851 6.704 -2.196 1.00 0.00 C ATOM 394 CD ARG A 26 -8.525 6.148 -2.714 1.00 0.00 C ATOM 395 NE ARG A 26 -7.369 6.929 -2.260 1.00 0.00 N ATOM 396 CZ ARG A 26 -6.101 6.511 -2.347 1.00 0.00 C ATOM 397 NH1 ARG A 26 -5.815 5.348 -2.918 1.00 0.00 N ATOM 398 NH2 ARG A 26 -5.113 7.272 -1.886 1.00 0.00 N ATOM 0 H ARG A 26 -10.987 5.558 1.467 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.656 4.930 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.749 7.112 -0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.179 6.340 -0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.664 6.327 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.848 7.789 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.414 5.116 -2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.543 6.133 -3.804 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.543 7.848 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.564 4.767 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.846 5.035 -2.981 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.321 8.177 -1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.147 6.950 -1.954 1.00 0.00 H new ATOM 412 N LEU A 27 -9.004 3.516 0.093 1.00 0.00 N ATOM 413 CA LEU A 27 -8.044 2.428 -0.042 1.00 0.00 C ATOM 414 C LEU A 27 -8.763 1.081 -0.057 1.00 0.00 C ATOM 415 O LEU A 27 -8.481 0.214 -0.887 1.00 0.00 O ATOM 416 CB LEU A 27 -7.048 2.490 1.121 1.00 0.00 C ATOM 417 CG LEU A 27 -6.133 3.717 1.127 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.287 3.750 2.386 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.248 3.728 -0.105 1.00 0.00 C ATOM 0 H LEU A 27 -8.961 4.001 0.989 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.507 2.534 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.605 2.467 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.428 1.594 1.096 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.760 4.609 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.644 4.630 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.937 3.792 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.671 2.852 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.605 4.608 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.632 2.829 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.870 3.756 -1.000 1.00 0.00 H new ATOM 431 N PHE A 28 -9.710 0.936 0.856 1.00 0.00 N ATOM 432 CA PHE A 28 -10.508 -0.280 0.984 1.00 0.00 C ATOM 433 C PHE A 28 -11.267 -0.568 -0.305 1.00 0.00 C ATOM 434 O PHE A 28 -11.315 -1.707 -0.771 1.00 0.00 O ATOM 435 CB PHE A 28 -11.496 -0.114 2.137 1.00 0.00 C ATOM 436 CG PHE A 28 -12.124 -1.397 2.607 1.00 0.00 C ATOM 437 CD1 PHE A 28 -11.485 -2.193 3.546 1.00 0.00 C ATOM 438 CD2 PHE A 28 -13.357 -1.804 2.117 1.00 0.00 C ATOM 439 CE1 PHE A 28 -12.062 -3.370 3.985 1.00 0.00 C ATOM 440 CE2 PHE A 28 -13.937 -2.979 2.553 1.00 0.00 C ATOM 441 CZ PHE A 28 -13.289 -3.763 3.486 1.00 0.00 C ATOM 0 H PHE A 28 -9.950 1.660 1.534 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.841 -1.119 1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.981 0.353 2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.286 0.571 1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.526 -1.890 3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.869 -1.195 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.555 -3.981 4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.897 -3.284 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.741 -4.683 3.826 1.00 0.00 H new ATOM 451 N SER A 29 -11.853 0.478 -0.872 1.00 0.00 N ATOM 452 CA SER A 29 -12.598 0.362 -2.123 1.00 0.00 C ATOM 453 C SER A 29 -11.682 -0.060 -3.265 1.00 0.00 C ATOM 454 O SER A 29 -12.093 -0.771 -4.181 1.00 0.00 O ATOM 455 CB SER A 29 -13.263 1.695 -2.457 1.00 0.00 C ATOM 456 OG SER A 29 -14.164 2.085 -1.434 1.00 0.00 O ATOM 0 H SER A 29 -11.828 1.421 -0.485 1.00 0.00 H new ATOM 0 HA SER A 29 -13.364 -0.403 -1.996 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.501 2.463 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.796 1.612 -3.404 1.00 0.00 H new ATOM 0 HG SER A 29 -13.676 2.190 -0.591 1.00 0.00 H new ATOM 462 N MET A 30 -10.436 0.382 -3.198 1.00 0.00 N ATOM 463 CA MET A 30 -9.441 0.035 -4.207 1.00 0.00 C ATOM 464 C MET A 30 -8.920 -1.382 -3.999 1.00 0.00 C ATOM 465 O MET A 30 -8.295 -1.964 -4.887 1.00 0.00 O ATOM 466 CB MET A 30 -8.280 1.027 -4.174 1.00 0.00 C ATOM 467 CG MET A 30 -8.597 2.367 -4.817 1.00 0.00 C ATOM 468 SD MET A 30 -7.168 3.466 -4.856 1.00 0.00 S ATOM 469 CE MET A 30 -6.021 2.490 -5.826 1.00 0.00 C ATOM 0 H MET A 30 -10.086 0.984 -2.453 1.00 0.00 H new ATOM 0 HA MET A 30 -9.923 0.084 -5.183 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.986 1.193 -3.138 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.423 0.585 -4.682 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.954 2.204 -5.834 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.407 2.848 -4.268 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.301 3.150 -6.311 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.493 1.794 -5.174 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.569 1.931 -6.584 1.00 0.00 H new ATOM 479 N GLY A 31 -9.170 -1.929 -2.822 1.00 0.00 N ATOM 480 CA GLY A 31 -8.748 -3.280 -2.527 1.00 0.00 C ATOM 481 C GLY A 31 -7.419 -3.312 -1.810 1.00 0.00 C ATOM 482 O GLY A 31 -6.765 -4.352 -1.736 1.00 0.00 O ATOM 0 H GLY A 31 -9.660 -1.459 -2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.503 -3.770 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.674 -3.848 -3.455 1.00 0.00 H new ATOM 486 N LEU A 32 -7.016 -2.168 -1.281 1.00 0.00 N ATOM 487 CA LEU A 32 -5.772 -2.076 -0.542 1.00 0.00 C ATOM 488 C LEU A 32 -6.053 -2.294 0.934 1.00 0.00 C ATOM 489 O LEU A 32 -6.166 -1.343 1.703 1.00 0.00 O ATOM 490 CB LEU A 32 -5.107 -0.717 -0.770 1.00 0.00 C ATOM 491 CG LEU A 32 -4.749 -0.411 -2.227 1.00 0.00 C ATOM 492 CD1 LEU A 32 -4.184 0.994 -2.358 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.757 -1.436 -2.755 1.00 0.00 C ATOM 0 H LEU A 32 -7.534 -1.292 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.085 -2.845 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.774 0.064 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.198 -0.668 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.659 -0.469 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.936 1.191 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.925 1.717 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.285 1.083 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.512 -1.205 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.849 -1.407 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.198 -2.431 -2.699 1.00 0.00 H new ATOM 505 N LEU A 33 -6.204 -3.555 1.307 1.00 0.00 N ATOM 506 CA LEU A 33 -6.603 -3.919 2.656 1.00 0.00 C ATOM 507 C LEU A 33 -5.712 -5.034 3.209 1.00 0.00 C ATOM 508 O LEU A 33 -5.017 -5.712 2.447 1.00 0.00 O ATOM 509 CB LEU A 33 -8.088 -4.328 2.658 1.00 0.00 C ATOM 510 CG LEU A 33 -8.542 -5.216 1.489 1.00 0.00 C ATOM 511 CD1 LEU A 33 -8.038 -6.642 1.646 1.00 0.00 C ATOM 512 CD2 LEU A 33 -10.057 -5.202 1.375 1.00 0.00 C ATOM 0 H LEU A 33 -6.054 -4.351 0.687 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.479 -3.057 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.299 -4.852 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.694 -3.422 2.657 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.112 -4.809 0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.377 -7.243 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.948 -6.642 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.427 -7.065 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.365 -5.835 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.495 -5.579 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.399 -4.182 1.201 1.00 0.00 H new ATOM 524 N PRO A 34 -5.707 -5.223 4.541 1.00 0.00 N ATOM 525 CA PRO A 34 -4.897 -6.256 5.193 1.00 0.00 C ATOM 526 C PRO A 34 -5.230 -7.655 4.682 1.00 0.00 C ATOM 527 O PRO A 34 -6.376 -8.102 4.765 1.00 0.00 O ATOM 528 CB PRO A 34 -5.264 -6.135 6.675 1.00 0.00 C ATOM 529 CG PRO A 34 -5.844 -4.772 6.826 1.00 0.00 C ATOM 530 CD PRO A 34 -6.488 -4.441 5.514 1.00 0.00 C ATOM 0 HA PRO A 34 -3.834 -6.116 4.995 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.981 -6.902 6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.387 -6.262 7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.574 -4.748 7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.070 -4.045 7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.541 -4.722 5.502 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.440 -3.373 5.301 1.00 0.00 H new ATOM 538 N GLY A 35 -4.226 -8.341 4.157 1.00 0.00 N ATOM 539 CA GLY A 35 -4.438 -9.674 3.634 1.00 0.00 C ATOM 540 C GLY A 35 -4.085 -9.779 2.165 1.00 0.00 C ATOM 541 O GLY A 35 -3.910 -10.881 1.636 1.00 0.00 O ATOM 0 H GLY A 35 -3.268 -7.998 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.837 -10.384 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.481 -9.956 3.775 1.00 0.00 H new ATOM 545 N ALA A 36 -3.986 -8.635 1.500 1.00 0.00 N ATOM 546 CA ALA A 36 -3.605 -8.594 0.107 1.00 0.00 C ATOM 547 C ALA A 36 -2.107 -8.364 -0.008 1.00 0.00 C ATOM 548 O ALA A 36 -1.399 -8.302 1.000 1.00 0.00 O ATOM 549 CB ALA A 36 -4.379 -7.503 -0.622 1.00 0.00 C ATOM 0 H ALA A 36 -4.167 -7.720 1.913 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.848 -9.549 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.081 -7.484 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.448 -7.706 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.163 -6.537 -0.166 1.00 0.00 H new ATOM 555 N ALA A 37 -1.637 -8.226 -1.228 1.00 0.00 N ATOM 556 CA ALA A 37 -0.218 -8.051 -1.493 1.00 0.00 C ATOM 557 C ALA A 37 0.005 -7.380 -2.838 1.00 0.00 C ATOM 558 O ALA A 37 -0.678 -7.685 -3.815 1.00 0.00 O ATOM 559 CB ALA A 37 0.502 -9.392 -1.452 1.00 0.00 C ATOM 0 H ALA A 37 -2.221 -8.231 -2.064 1.00 0.00 H new ATOM 0 HA ALA A 37 0.192 -7.407 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.563 -9.242 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.379 -9.841 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.080 -10.055 -2.208 1.00 0.00 H new ATOM 565 N LEU A 38 0.956 -6.460 -2.874 1.00 0.00 N ATOM 566 CA LEU A 38 1.337 -5.795 -4.104 1.00 0.00 C ATOM 567 C LEU A 38 2.596 -6.441 -4.656 1.00 0.00 C ATOM 568 O LEU A 38 3.547 -6.717 -3.917 1.00 0.00 O ATOM 569 CB LEU A 38 1.589 -4.299 -3.886 1.00 0.00 C ATOM 570 CG LEU A 38 0.398 -3.467 -3.389 1.00 0.00 C ATOM 571 CD1 LEU A 38 -0.849 -3.753 -4.212 1.00 0.00 C ATOM 572 CD2 LEU A 38 0.140 -3.706 -1.908 1.00 0.00 C ATOM 0 H LEU A 38 1.482 -6.156 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 38 0.514 -5.899 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.403 -4.191 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.935 -3.871 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 38 0.651 -2.415 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.677 -3.151 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.661 -3.504 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.104 -4.810 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.709 -3.104 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.080 -4.761 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.024 -3.425 -1.335 1.00 0.00 H new ATOM 584 N ARG A 39 2.598 -6.676 -5.946 1.00 0.00 N ATOM 585 CA ARG A 39 3.720 -7.319 -6.602 1.00 0.00 C ATOM 586 C ARG A 39 4.641 -6.265 -7.202 1.00 0.00 C ATOM 587 O ARG A 39 4.266 -5.570 -8.142 1.00 0.00 O ATOM 588 CB ARG A 39 3.204 -8.273 -7.681 1.00 0.00 C ATOM 589 CG ARG A 39 4.272 -9.146 -8.314 1.00 0.00 C ATOM 590 CD ARG A 39 3.640 -10.168 -9.239 1.00 0.00 C ATOM 591 NE ARG A 39 4.621 -11.080 -9.818 1.00 0.00 N ATOM 592 CZ ARG A 39 4.578 -12.402 -9.669 1.00 0.00 C ATOM 593 NH1 ARG A 39 3.618 -12.958 -8.938 1.00 0.00 N ATOM 594 NH2 ARG A 39 5.486 -13.165 -10.257 1.00 0.00 N ATOM 0 H ARG A 39 1.830 -6.430 -6.570 1.00 0.00 H new ATOM 0 HA ARG A 39 4.290 -7.896 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.440 -8.916 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.720 -7.688 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.974 -8.526 -8.872 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.843 -9.654 -7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.896 -10.742 -8.687 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.112 -9.651 -10.040 1.00 0.00 H new ATOM 0 HE ARG A 39 5.382 -10.682 -10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.913 -12.372 -8.491 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.586 -13.971 -8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.219 -12.740 -10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.453 -14.178 -10.142 1.00 0.00 H new ATOM 608 N VAL A 40 5.831 -6.132 -6.633 1.00 0.00 N ATOM 609 CA VAL A 40 6.790 -5.121 -7.074 1.00 0.00 C ATOM 610 C VAL A 40 7.180 -5.320 -8.539 1.00 0.00 C ATOM 611 O VAL A 40 7.550 -6.418 -8.963 1.00 0.00 O ATOM 612 CB VAL A 40 8.062 -5.131 -6.183 1.00 0.00 C ATOM 613 CG1 VAL A 40 8.748 -6.486 -6.220 1.00 0.00 C ATOM 614 CG2 VAL A 40 9.026 -4.025 -6.595 1.00 0.00 C ATOM 0 H VAL A 40 6.159 -6.713 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 40 6.301 -4.152 -6.977 1.00 0.00 H new ATOM 0 HB VAL A 40 7.749 -4.942 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.635 -6.462 -5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.062 -7.251 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.039 -6.718 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.908 -4.054 -5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.325 -4.171 -7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.535 -3.057 -6.492 1.00 0.00 H new ATOM 624 N VAL A 41 7.042 -4.256 -9.317 1.00 0.00 N ATOM 625 CA VAL A 41 7.509 -4.250 -10.693 1.00 0.00 C ATOM 626 C VAL A 41 8.809 -3.459 -10.785 1.00 0.00 C ATOM 627 O VAL A 41 9.828 -3.979 -11.234 1.00 0.00 O ATOM 628 CB VAL A 41 6.465 -3.646 -11.660 1.00 0.00 C ATOM 629 CG1 VAL A 41 6.959 -3.710 -13.096 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.130 -4.361 -11.518 1.00 0.00 C ATOM 0 H VAL A 41 6.608 -3.383 -9.016 1.00 0.00 H new ATOM 0 HA VAL A 41 7.674 -5.285 -10.992 1.00 0.00 H new ATOM 0 HB VAL A 41 6.323 -2.598 -11.398 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.208 -3.279 -13.759 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.888 -3.147 -13.187 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.135 -4.749 -13.374 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.407 -3.922 -12.206 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.257 -5.418 -11.750 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.768 -4.255 -10.495 1.00 0.00 H new ATOM 640 N ARG A 42 8.770 -2.211 -10.319 1.00 0.00 N ATOM 641 CA ARG A 42 9.943 -1.337 -10.331 1.00 0.00 C ATOM 642 C ARG A 42 9.867 -0.314 -9.211 1.00 0.00 C ATOM 643 O ARG A 42 8.823 -0.139 -8.588 1.00 0.00 O ATOM 644 CB ARG A 42 10.078 -0.579 -11.656 1.00 0.00 C ATOM 645 CG ARG A 42 10.500 -1.435 -12.833 1.00 0.00 C ATOM 646 CD ARG A 42 11.002 -0.580 -13.984 1.00 0.00 C ATOM 647 NE ARG A 42 9.986 0.350 -14.473 1.00 0.00 N ATOM 648 CZ ARG A 42 10.263 1.535 -15.017 1.00 0.00 C ATOM 649 NH1 ARG A 42 11.522 1.952 -15.091 1.00 0.00 N ATOM 650 NH2 ARG A 42 9.283 2.301 -15.479 1.00 0.00 N ATOM 0 H ARG A 42 7.933 -1.780 -9.926 1.00 0.00 H new ATOM 0 HA ARG A 42 10.809 -1.984 -10.196 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.123 -0.109 -11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.805 0.223 -11.528 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.284 -2.125 -12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.657 -2.040 -13.167 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.879 -0.019 -13.660 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.322 -1.227 -14.801 1.00 0.00 H new ATOM 0 HE ARG A 42 9.007 0.076 -14.393 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.275 1.366 -14.732 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.735 2.859 -15.507 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.316 1.983 -15.418 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.497 3.207 -15.895 1.00 0.00 H new ATOM 664 N ILE A 43 10.976 0.363 -8.975 1.00 0.00 N ATOM 665 CA ILE A 43 11.025 1.461 -8.024 1.00 0.00 C ATOM 666 C ILE A 43 11.554 2.703 -8.736 1.00 0.00 C ATOM 667 O ILE A 43 12.466 2.602 -9.562 1.00 0.00 O ATOM 668 CB ILE A 43 11.929 1.153 -6.795 1.00 0.00 C ATOM 669 CG1 ILE A 43 11.490 -0.130 -6.075 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.916 2.318 -5.814 1.00 0.00 C ATOM 671 CD1 ILE A 43 12.044 -1.402 -6.684 1.00 0.00 C ATOM 0 H ILE A 43 11.866 0.169 -9.435 1.00 0.00 H new ATOM 0 HA ILE A 43 10.014 1.619 -7.649 1.00 0.00 H new ATOM 0 HB ILE A 43 12.942 1.006 -7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.802 -0.073 -5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.401 -0.182 -6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.554 2.083 -4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.288 3.215 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.897 2.491 -5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.687 -2.262 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.711 -1.485 -7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.133 -1.375 -6.655 1.00 0.00 H new ATOM 683 N ALA A 44 10.971 3.860 -8.447 1.00 0.00 N ATOM 684 CA ALA A 44 11.421 5.103 -9.056 1.00 0.00 C ATOM 685 C ALA A 44 12.803 5.480 -8.538 1.00 0.00 C ATOM 686 O ALA A 44 13.065 5.406 -7.335 1.00 0.00 O ATOM 687 CB ALA A 44 10.430 6.221 -8.787 1.00 0.00 C ATOM 0 H ALA A 44 10.190 3.962 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 44 11.484 4.953 -10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.785 7.141 -9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.459 5.955 -9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.333 6.370 -7.712 1.00 0.00 H new ATOM 693 N PRO A 45 13.709 5.893 -9.439 1.00 0.00 N ATOM 694 CA PRO A 45 15.094 6.254 -9.082 1.00 0.00 C ATOM 695 C PRO A 45 15.183 7.497 -8.192 1.00 0.00 C ATOM 696 O PRO A 45 16.269 7.912 -7.785 1.00 0.00 O ATOM 697 CB PRO A 45 15.757 6.524 -10.438 1.00 0.00 C ATOM 698 CG PRO A 45 14.856 5.904 -11.451 1.00 0.00 C ATOM 699 CD PRO A 45 13.474 6.014 -10.886 1.00 0.00 C ATOM 0 HA PRO A 45 15.571 5.464 -8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.869 7.594 -10.614 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.755 6.088 -10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.930 6.420 -12.408 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.125 4.863 -11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.005 6.964 -11.143 1.00 0.00 H new ATOM 0 HD3 PRO A 45 12.820 5.225 -11.258 1.00 0.00 H new ATOM 707 N LEU A 46 14.035 8.084 -7.898 1.00 0.00 N ATOM 708 CA LEU A 46 13.966 9.269 -7.053 1.00 0.00 C ATOM 709 C LEU A 46 13.704 8.885 -5.603 1.00 0.00 C ATOM 710 O LEU A 46 13.920 9.678 -4.690 1.00 0.00 O ATOM 711 CB LEU A 46 12.852 10.213 -7.527 1.00 0.00 C ATOM 712 CG LEU A 46 13.116 10.983 -8.824 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.425 11.752 -8.730 1.00 0.00 C ATOM 714 CD2 LEU A 46 13.112 10.061 -10.034 1.00 0.00 C ATOM 0 H LEU A 46 13.129 7.757 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 46 14.927 9.778 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.941 9.628 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.657 10.936 -6.735 1.00 0.00 H new ATOM 0 HG LEU A 46 12.304 11.698 -8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.597 12.293 -9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.373 12.460 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.245 11.055 -8.559 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.303 10.643 -10.936 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.889 9.306 -9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.141 9.573 -10.116 1.00 0.00 H new ATOM 726 N GLY A 47 13.245 7.657 -5.400 1.00 0.00 N ATOM 727 CA GLY A 47 12.780 7.244 -4.086 1.00 0.00 C ATOM 728 C GLY A 47 11.292 7.487 -3.952 1.00 0.00 C ATOM 729 O GLY A 47 10.654 7.069 -2.986 1.00 0.00 O ATOM 0 H GLY A 47 13.186 6.938 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.998 6.187 -3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.316 7.796 -3.314 1.00 0.00 H new ATOM 733 N ASP A 48 10.770 8.189 -4.943 1.00 0.00 N ATOM 734 CA ASP A 48 9.349 8.457 -5.089 1.00 0.00 C ATOM 735 C ASP A 48 8.619 7.201 -5.558 1.00 0.00 C ATOM 736 O ASP A 48 9.276 6.206 -5.854 1.00 0.00 O ATOM 737 CB ASP A 48 9.144 9.640 -6.040 1.00 0.00 C ATOM 738 CG ASP A 48 9.305 10.964 -5.321 1.00 0.00 C ATOM 739 OD1 ASP A 48 8.437 11.300 -4.484 1.00 0.00 O ATOM 740 OD2 ASP A 48 10.308 11.663 -5.569 1.00 0.00 O ATOM 0 H ASP A 48 11.336 8.598 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 48 8.923 8.731 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.862 9.579 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.150 9.584 -6.483 1.00 0.00 H new ATOM 745 N PRO A 49 7.257 7.233 -5.575 1.00 0.00 N ATOM 746 CA PRO A 49 6.363 6.082 -5.741 1.00 0.00 C ATOM 747 C PRO A 49 6.925 4.856 -6.461 1.00 0.00 C ATOM 748 O PRO A 49 7.744 4.939 -7.378 1.00 0.00 O ATOM 749 CB PRO A 49 5.197 6.669 -6.550 1.00 0.00 C ATOM 750 CG PRO A 49 5.375 8.159 -6.509 1.00 0.00 C ATOM 751 CD PRO A 49 6.431 8.432 -5.475 1.00 0.00 C ATOM 0 HA PRO A 49 6.121 5.677 -4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.210 6.302 -7.576 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.238 6.378 -6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.678 8.541 -7.484 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.440 8.655 -6.249 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.996 9.338 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.007 8.555 -4.479 1.00 0.00 H new ATOM 759 N ILE A 50 6.362 3.723 -6.093 1.00 0.00 N ATOM 760 CA ILE A 50 6.862 2.429 -6.509 1.00 0.00 C ATOM 761 C ILE A 50 5.889 1.798 -7.489 1.00 0.00 C ATOM 762 O ILE A 50 4.674 1.875 -7.303 1.00 0.00 O ATOM 763 CB ILE A 50 7.052 1.497 -5.286 1.00 0.00 C ATOM 764 CG1 ILE A 50 8.003 2.144 -4.272 1.00 0.00 C ATOM 765 CG2 ILE A 50 7.582 0.133 -5.712 1.00 0.00 C ATOM 766 CD1 ILE A 50 8.154 1.355 -2.987 1.00 0.00 C ATOM 0 H ILE A 50 5.539 3.674 -5.493 1.00 0.00 H new ATOM 0 HA ILE A 50 7.829 2.568 -6.992 1.00 0.00 H new ATOM 0 HB ILE A 50 6.079 1.349 -4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.984 2.263 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.640 3.144 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.706 -0.500 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.876 -0.333 -6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.544 0.256 -6.209 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.841 1.875 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.182 1.258 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.547 0.364 -3.213 1.00 0.00 H new ATOM 778 N GLN A 51 6.426 1.188 -8.531 1.00 0.00 N ATOM 779 CA GLN A 51 5.611 0.543 -9.540 1.00 0.00 C ATOM 780 C GLN A 51 5.313 -0.879 -9.105 1.00 0.00 C ATOM 781 O GLN A 51 6.204 -1.724 -9.085 1.00 0.00 O ATOM 782 CB GLN A 51 6.334 0.526 -10.887 1.00 0.00 C ATOM 783 CG GLN A 51 5.403 0.364 -12.080 1.00 0.00 C ATOM 784 CD GLN A 51 6.145 0.324 -13.403 1.00 0.00 C ATOM 785 OE1 GLN A 51 7.277 -0.154 -13.485 1.00 0.00 O ATOM 786 NE2 GLN A 51 5.520 0.841 -14.448 1.00 0.00 N ATOM 0 H GLN A 51 7.430 1.127 -8.699 1.00 0.00 H new ATOM 0 HA GLN A 51 4.681 1.101 -9.653 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.896 1.453 -10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.059 -0.288 -10.890 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.827 -0.554 -11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.690 1.188 -12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.582 1.228 -14.341 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.976 0.853 -15.360 1.00 0.00 H new ATOM 795 N VAL A 52 4.075 -1.134 -8.737 1.00 0.00 N ATOM 796 CA VAL A 52 3.666 -2.461 -8.313 1.00 0.00 C ATOM 797 C VAL A 52 2.547 -2.968 -9.206 1.00 0.00 C ATOM 798 O VAL A 52 2.139 -2.285 -10.136 1.00 0.00 O ATOM 799 CB VAL A 52 3.201 -2.485 -6.838 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.340 -2.092 -5.909 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.996 -1.576 -6.624 1.00 0.00 C ATOM 0 H VAL A 52 3.330 -0.438 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 52 4.537 -3.111 -8.398 1.00 0.00 H new ATOM 0 HB VAL A 52 2.898 -3.505 -6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.992 -2.115 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.166 -2.793 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.679 -1.086 -6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.693 -1.614 -5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.261 -0.552 -6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.171 -1.911 -7.253 1.00 0.00 H new ATOM 811 N GLU A 53 2.069 -4.162 -8.926 1.00 0.00 N ATOM 812 CA GLU A 53 0.995 -4.759 -9.696 1.00 0.00 C ATOM 813 C GLU A 53 0.005 -5.409 -8.743 1.00 0.00 C ATOM 814 O GLU A 53 0.412 -6.088 -7.796 1.00 0.00 O ATOM 815 CB GLU A 53 1.570 -5.784 -10.679 1.00 0.00 C ATOM 816 CG GLU A 53 0.572 -6.307 -11.697 1.00 0.00 C ATOM 817 CD GLU A 53 1.233 -7.157 -12.761 1.00 0.00 C ATOM 818 OE1 GLU A 53 1.701 -6.592 -13.772 1.00 0.00 O ATOM 819 OE2 GLU A 53 1.288 -8.392 -12.594 1.00 0.00 O ATOM 0 H GLU A 53 2.411 -4.745 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 53 0.476 -3.994 -10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.407 -5.330 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.969 -6.626 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.191 -6.895 -11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.063 -5.467 -12.170 1.00 0.00 H new ATOM 826 N THR A 54 -1.284 -5.181 -8.964 1.00 0.00 N ATOM 827 CA THR A 54 -2.303 -5.708 -8.070 1.00 0.00 C ATOM 828 C THR A 54 -2.643 -7.142 -8.444 1.00 0.00 C ATOM 829 O THR A 54 -2.726 -8.024 -7.589 1.00 0.00 O ATOM 830 CB THR A 54 -3.577 -4.843 -8.112 1.00 0.00 C ATOM 831 OG1 THR A 54 -3.971 -4.619 -9.472 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.347 -3.508 -7.421 1.00 0.00 C ATOM 0 H THR A 54 -1.645 -4.639 -9.749 1.00 0.00 H new ATOM 0 HA THR A 54 -1.903 -5.686 -7.056 1.00 0.00 H new ATOM 0 HB THR A 54 -4.369 -5.375 -7.586 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.782 -4.070 -9.491 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.260 -2.914 -7.463 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.074 -3.680 -6.380 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.542 -2.972 -7.924 1.00 0.00 H new ATOM 840 N ARG A 55 -2.828 -7.361 -9.733 1.00 0.00 N ATOM 841 CA ARG A 55 -3.097 -8.683 -10.268 1.00 0.00 C ATOM 842 C ARG A 55 -2.814 -8.679 -11.760 1.00 0.00 C ATOM 843 O ARG A 55 -1.973 -9.429 -12.256 1.00 0.00 O ATOM 844 CB ARG A 55 -4.557 -9.079 -10.019 1.00 0.00 C ATOM 845 CG ARG A 55 -4.859 -10.534 -10.343 1.00 0.00 C ATOM 846 CD ARG A 55 -6.355 -10.799 -10.397 1.00 0.00 C ATOM 847 NE ARG A 55 -7.048 -10.369 -9.184 1.00 0.00 N ATOM 848 CZ ARG A 55 -8.374 -10.302 -9.076 1.00 0.00 C ATOM 849 NH1 ARG A 55 -9.139 -10.634 -10.106 1.00 0.00 N ATOM 850 NH2 ARG A 55 -8.927 -9.900 -7.940 1.00 0.00 N ATOM 0 H ARG A 55 -2.796 -6.626 -10.439 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.455 -9.408 -9.768 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.802 -8.890 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.205 -8.440 -10.619 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.408 -10.795 -11.301 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.402 -11.177 -9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.781 -10.281 -11.257 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.526 -11.865 -10.550 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.485 -10.106 -8.375 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.712 -10.940 -10.980 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.154 -10.583 -10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.337 -9.642 -7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.942 -9.849 -7.857 1.00 0.00 H new ATOM 864 N GLN A 56 -3.522 -7.815 -12.467 1.00 0.00 N ATOM 865 CA GLN A 56 -3.341 -7.654 -13.898 1.00 0.00 C ATOM 866 C GLN A 56 -2.722 -6.286 -14.178 1.00 0.00 C ATOM 867 O GLN A 56 -1.828 -6.157 -15.008 1.00 0.00 O ATOM 868 CB GLN A 56 -4.701 -7.803 -14.604 1.00 0.00 C ATOM 869 CG GLN A 56 -4.641 -8.118 -16.099 1.00 0.00 C ATOM 870 CD GLN A 56 -4.394 -6.904 -16.977 1.00 0.00 C ATOM 871 OE1 GLN A 56 -5.328 -6.196 -17.355 1.00 0.00 O ATOM 872 NE2 GLN A 56 -3.145 -6.679 -17.342 1.00 0.00 N ATOM 0 H GLN A 56 -4.236 -7.207 -12.066 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.669 -8.421 -14.282 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.263 -8.594 -14.107 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.263 -6.879 -14.468 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.850 -8.847 -16.275 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.579 -8.586 -16.399 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.398 -7.288 -17.008 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.927 -5.896 -17.958 1.00 0.00 H new ATOM 881 N THR A 57 -3.162 -5.278 -13.437 1.00 0.00 N ATOM 882 CA THR A 57 -2.762 -3.911 -13.713 1.00 0.00 C ATOM 883 C THR A 57 -1.699 -3.437 -12.722 1.00 0.00 C ATOM 884 O THR A 57 -1.650 -3.896 -11.576 1.00 0.00 O ATOM 885 CB THR A 57 -3.983 -2.962 -13.682 1.00 0.00 C ATOM 886 OG1 THR A 57 -3.602 -1.642 -14.088 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.611 -2.903 -12.297 1.00 0.00 C ATOM 0 H THR A 57 -3.794 -5.384 -12.643 1.00 0.00 H new ATOM 0 HA THR A 57 -2.331 -3.889 -14.714 1.00 0.00 H new ATOM 0 HB THR A 57 -4.721 -3.360 -14.379 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.385 -1.054 -14.065 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.466 -2.227 -12.314 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.942 -3.900 -12.005 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.875 -2.540 -11.579 1.00 0.00 H new ATOM 895 N SER A 58 -0.838 -2.538 -13.181 1.00 0.00 N ATOM 896 CA SER A 58 0.224 -1.989 -12.358 1.00 0.00 C ATOM 897 C SER A 58 -0.212 -0.667 -11.731 1.00 0.00 C ATOM 898 O SER A 58 -1.047 0.050 -12.289 1.00 0.00 O ATOM 899 CB SER A 58 1.482 -1.788 -13.204 1.00 0.00 C ATOM 900 OG SER A 58 1.857 -2.993 -13.852 1.00 0.00 O ATOM 0 H SER A 58 -0.859 -2.172 -14.133 1.00 0.00 H new ATOM 0 HA SER A 58 0.445 -2.691 -11.554 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.304 -1.011 -13.948 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.299 -1.442 -12.571 1.00 0.00 H new ATOM 0 HG SER A 58 2.663 -2.839 -14.388 1.00 0.00 H new ATOM 906 N LEU A 59 0.352 -0.349 -10.577 1.00 0.00 N ATOM 907 CA LEU A 59 -0.014 0.855 -9.852 1.00 0.00 C ATOM 908 C LEU A 59 1.202 1.475 -9.181 1.00 0.00 C ATOM 909 O LEU A 59 2.117 0.769 -8.761 1.00 0.00 O ATOM 910 CB LEU A 59 -1.085 0.533 -8.803 1.00 0.00 C ATOM 911 CG LEU A 59 -1.610 1.726 -7.998 1.00 0.00 C ATOM 912 CD1 LEU A 59 -2.353 2.698 -8.902 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.509 1.247 -6.869 1.00 0.00 C ATOM 0 H LEU A 59 1.069 -0.913 -10.121 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.416 1.574 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.928 0.059 -9.306 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.676 -0.199 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.760 2.251 -7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.718 3.538 -8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.678 3.064 -9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.197 2.189 -9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.875 2.106 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.355 0.699 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.943 0.592 -6.206 1.00 0.00 H new ATOM 925 N ALA A 60 1.203 2.795 -9.096 1.00 0.00 N ATOM 926 CA ALA A 60 2.261 3.526 -8.419 1.00 0.00 C ATOM 927 C ALA A 60 1.715 4.182 -7.160 1.00 0.00 C ATOM 928 O ALA A 60 0.732 4.924 -7.210 1.00 0.00 O ATOM 929 CB ALA A 60 2.867 4.570 -9.346 1.00 0.00 C ATOM 0 H ALA A 60 0.474 3.388 -9.493 1.00 0.00 H new ATOM 0 HA ALA A 60 3.047 2.825 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.657 5.107 -8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.284 4.078 -10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.094 5.273 -9.656 1.00 0.00 H new ATOM 935 N LEU A 61 2.337 3.896 -6.033 1.00 0.00 N ATOM 936 CA LEU A 61 1.908 4.462 -4.762 1.00 0.00 C ATOM 937 C LEU A 61 2.921 5.476 -4.260 1.00 0.00 C ATOM 938 O LEU A 61 4.112 5.183 -4.149 1.00 0.00 O ATOM 939 CB LEU A 61 1.665 3.357 -3.729 1.00 0.00 C ATOM 940 CG LEU A 61 2.735 2.276 -3.682 1.00 0.00 C ATOM 941 CD1 LEU A 61 3.793 2.587 -2.637 1.00 0.00 C ATOM 942 CD2 LEU A 61 2.112 0.913 -3.430 1.00 0.00 C ATOM 0 H LEU A 61 3.143 3.274 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 61 0.963 4.983 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.587 3.813 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.704 2.888 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 61 3.227 2.255 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.542 1.795 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.272 3.537 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.326 2.653 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.895 0.155 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.583 0.925 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.411 0.679 -4.231 1.00 0.00 H new ATOM 954 N ARG A 62 2.436 6.673 -3.983 1.00 0.00 N ATOM 955 CA ARG A 62 3.284 7.777 -3.536 1.00 0.00 C ATOM 956 C ARG A 62 3.858 7.501 -2.154 1.00 0.00 C ATOM 957 O ARG A 62 3.466 6.550 -1.493 1.00 0.00 O ATOM 958 CB ARG A 62 2.508 9.096 -3.497 1.00 0.00 C ATOM 959 CG ARG A 62 2.383 9.801 -4.838 1.00 0.00 C ATOM 960 CD ARG A 62 1.447 9.073 -5.786 1.00 0.00 C ATOM 961 NE ARG A 62 1.194 9.853 -6.992 1.00 0.00 N ATOM 962 CZ ARG A 62 0.142 10.654 -7.148 1.00 0.00 C ATOM 963 NH1 ARG A 62 -0.765 10.756 -6.184 1.00 0.00 N ATOM 964 NH2 ARG A 62 0.003 11.352 -8.265 1.00 0.00 N ATOM 0 H ARG A 62 1.447 6.913 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 62 4.098 7.863 -4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.508 8.902 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.997 9.769 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.019 10.816 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.369 9.883 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.880 8.110 -6.058 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.504 8.867 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 62 1.861 9.781 -7.760 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.656 10.220 -5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.571 11.370 -6.305 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.701 11.275 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.802 11.966 -8.386 1.00 0.00 H new ATOM 978 N ARG A 63 4.769 8.353 -1.717 1.00 0.00 N ATOM 979 CA ARG A 63 5.386 8.206 -0.406 1.00 0.00 C ATOM 980 C ARG A 63 4.361 8.443 0.699 1.00 0.00 C ATOM 981 O ARG A 63 4.290 7.679 1.660 1.00 0.00 O ATOM 982 CB ARG A 63 6.562 9.177 -0.273 1.00 0.00 C ATOM 983 CG ARG A 63 7.674 8.912 -1.275 1.00 0.00 C ATOM 984 CD ARG A 63 8.856 8.203 -0.630 1.00 0.00 C ATOM 985 NE ARG A 63 8.457 7.051 0.180 1.00 0.00 N ATOM 986 CZ ARG A 63 9.068 5.869 0.143 1.00 0.00 C ATOM 987 NH1 ARG A 63 10.013 5.626 -0.756 1.00 0.00 N ATOM 988 NH2 ARG A 63 8.715 4.920 0.997 1.00 0.00 N ATOM 0 H ARG A 63 5.100 9.157 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 63 5.760 7.187 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.199 10.197 -0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.968 9.110 0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.289 8.305 -2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.007 9.856 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.544 7.873 -1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.400 8.910 -0.004 1.00 0.00 H new ATOM 0 HE ARG A 63 7.663 7.161 0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.277 6.348 -1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.476 4.717 -0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.978 5.096 1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.180 4.013 0.972 1.00 0.00 H new ATOM 1002 N LYS A 64 3.555 9.488 0.545 1.00 0.00 N ATOM 1003 CA LYS A 64 2.502 9.785 1.510 1.00 0.00 C ATOM 1004 C LYS A 64 1.388 8.750 1.413 1.00 0.00 C ATOM 1005 O LYS A 64 0.845 8.309 2.423 1.00 0.00 O ATOM 1006 CB LYS A 64 1.933 11.184 1.270 1.00 0.00 C ATOM 1007 CG LYS A 64 0.854 11.575 2.267 1.00 0.00 C ATOM 1008 CD LYS A 64 0.298 12.960 1.991 1.00 0.00 C ATOM 1009 CE LYS A 64 -0.693 13.374 3.067 1.00 0.00 C ATOM 1010 NZ LYS A 64 -0.067 13.392 4.419 1.00 0.00 N ATOM 0 H LYS A 64 3.610 10.142 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 64 2.934 9.749 2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.743 11.911 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.521 11.233 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.045 10.846 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.265 11.544 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.114 13.681 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.191 12.972 1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.088 14.363 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.538 12.686 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.637 13.983 5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.021 12.423 4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.894 13.783 4.351 1.00 0.00 H new ATOM 1024 N ASP A 65 1.064 8.372 0.184 1.00 0.00 N ATOM 1025 CA ASP A 65 0.040 7.362 -0.080 1.00 0.00 C ATOM 1026 C ASP A 65 0.474 6.016 0.497 1.00 0.00 C ATOM 1027 O ASP A 65 -0.340 5.248 1.005 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.199 7.271 -1.595 1.00 0.00 C ATOM 1029 CG ASP A 65 -1.353 6.367 -1.991 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -2.513 6.689 -1.662 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -1.106 5.362 -2.692 1.00 0.00 O ATOM 0 H ASP A 65 1.499 8.753 -0.656 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.896 7.644 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.387 8.272 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.711 6.910 -2.074 1.00 0.00 H new ATOM 1036 N LEU A 66 1.775 5.762 0.437 1.00 0.00 N ATOM 1037 CA LEU A 66 2.365 4.580 1.047 1.00 0.00 C ATOM 1038 C LEU A 66 2.300 4.673 2.567 1.00 0.00 C ATOM 1039 O LEU A 66 2.052 3.685 3.247 1.00 0.00 O ATOM 1040 CB LEU A 66 3.826 4.429 0.614 1.00 0.00 C ATOM 1041 CG LEU A 66 4.546 3.198 1.168 1.00 0.00 C ATOM 1042 CD1 LEU A 66 3.785 1.930 0.824 1.00 0.00 C ATOM 1043 CD2 LEU A 66 5.963 3.126 0.628 1.00 0.00 C ATOM 0 H LEU A 66 2.447 6.367 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 66 1.797 3.711 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.864 4.393 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.373 5.320 0.922 1.00 0.00 H new ATOM 0 HG LEU A 66 4.590 3.288 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.315 1.067 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.785 1.977 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.708 1.834 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.462 2.245 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.935 3.061 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.511 4.021 0.924 1.00 0.00 H new ATOM 1055 N ALA A 67 2.511 5.876 3.087 1.00 0.00 N ATOM 1056 CA ALA A 67 2.554 6.102 4.530 1.00 0.00 C ATOM 1057 C ALA A 67 1.199 5.852 5.186 1.00 0.00 C ATOM 1058 O ALA A 67 1.104 5.730 6.406 1.00 0.00 O ATOM 1059 CB ALA A 67 3.031 7.517 4.829 1.00 0.00 C ATOM 0 H ALA A 67 2.656 6.717 2.528 1.00 0.00 H new ATOM 0 HA ALA A 67 3.261 5.388 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.058 7.671 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.030 7.659 4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.347 8.235 4.377 1.00 0.00 H new ATOM 1065 N LEU A 68 0.149 5.791 4.380 1.00 0.00 N ATOM 1066 CA LEU A 68 -1.188 5.514 4.889 1.00 0.00 C ATOM 1067 C LEU A 68 -1.409 4.011 5.039 1.00 0.00 C ATOM 1068 O LEU A 68 -2.216 3.566 5.859 1.00 0.00 O ATOM 1069 CB LEU A 68 -2.230 6.119 3.952 1.00 0.00 C ATOM 1070 CG LEU A 68 -2.092 7.628 3.738 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -3.053 8.108 2.669 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -2.328 8.376 5.041 1.00 0.00 C ATOM 0 H LEU A 68 0.196 5.929 3.371 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.291 5.968 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.164 5.620 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.223 5.911 4.351 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.076 7.833 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.938 9.183 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.837 7.598 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.076 7.888 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.226 9.447 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.332 8.161 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.596 8.056 5.782 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.666 3.238 4.267 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.764 1.786 4.308 1.00 0.00 C ATOM 1086 C LEU A 69 0.403 1.197 5.082 1.00 0.00 C ATOM 1087 O LEU A 69 1.523 1.689 4.998 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.768 1.214 2.890 1.00 0.00 C ATOM 1089 CG LEU A 69 -2.018 1.514 2.064 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.803 1.115 0.613 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.220 0.783 2.640 1.00 0.00 C ATOM 0 H LEU A 69 0.018 3.593 3.598 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.696 1.522 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.100 1.603 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.646 0.133 2.953 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.211 2.586 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.702 1.335 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.963 1.676 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.589 0.048 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.103 1.006 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.034 -0.291 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.386 1.109 3.667 1.00 0.00 H new ATOM 1103 N THR A 70 0.148 0.160 5.854 1.00 0.00 N ATOM 1104 CA THR A 70 1.230 -0.583 6.462 1.00 0.00 C ATOM 1105 C THR A 70 1.551 -1.801 5.605 1.00 0.00 C ATOM 1106 O THR A 70 0.737 -2.720 5.471 1.00 0.00 O ATOM 1107 CB THR A 70 0.884 -1.031 7.885 1.00 0.00 C ATOM 1108 OG1 THR A 70 0.313 0.065 8.609 1.00 0.00 O ATOM 1109 CG2 THR A 70 2.122 -1.526 8.618 1.00 0.00 C ATOM 0 H THR A 70 -0.787 -0.183 6.073 1.00 0.00 H new ATOM 0 HA THR A 70 2.097 0.074 6.523 1.00 0.00 H new ATOM 0 HB THR A 70 0.167 -1.850 7.820 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.091 -0.224 9.519 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.848 -1.838 9.626 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.549 -2.372 8.080 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.857 -0.723 8.674 1.00 0.00 H new ATOM 1117 N LEU A 71 2.732 -1.795 5.021 1.00 0.00 N ATOM 1118 CA LEU A 71 3.143 -2.851 4.111 1.00 0.00 C ATOM 1119 C LEU A 71 4.406 -3.527 4.612 1.00 0.00 C ATOM 1120 O LEU A 71 5.335 -2.861 5.073 1.00 0.00 O ATOM 1121 CB LEU A 71 3.401 -2.299 2.704 1.00 0.00 C ATOM 1122 CG LEU A 71 2.215 -1.603 2.029 1.00 0.00 C ATOM 1123 CD1 LEU A 71 2.559 -1.253 0.590 1.00 0.00 C ATOM 1124 CD2 LEU A 71 0.983 -2.484 2.074 1.00 0.00 C ATOM 0 H LEU A 71 3.431 -1.065 5.160 1.00 0.00 H new ATOM 0 HA LEU A 71 2.331 -3.577 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.229 -1.592 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.725 -3.121 2.066 1.00 0.00 H new ATOM 0 HG LEU A 71 2.001 -0.683 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.707 -0.759 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.420 -0.585 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.797 -2.164 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.152 -1.972 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.186 -3.420 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.724 -2.695 3.112 1.00 0.00 H new ATOM 1136 N VAL A 72 4.431 -4.845 4.527 1.00 0.00 N ATOM 1137 CA VAL A 72 5.621 -5.611 4.850 1.00 0.00 C ATOM 1138 C VAL A 72 5.877 -6.623 3.742 1.00 0.00 C ATOM 1139 O VAL A 72 4.941 -7.059 3.085 1.00 0.00 O ATOM 1140 CB VAL A 72 5.494 -6.351 6.202 1.00 0.00 C ATOM 1141 CG1 VAL A 72 5.301 -5.367 7.346 1.00 0.00 C ATOM 1142 CG2 VAL A 72 4.363 -7.364 6.168 1.00 0.00 C ATOM 0 H VAL A 72 3.634 -5.411 4.235 1.00 0.00 H new ATOM 0 HA VAL A 72 6.453 -4.913 4.936 1.00 0.00 H new ATOM 0 HB VAL A 72 6.425 -6.892 6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.214 -5.913 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.157 -4.694 7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.393 -4.788 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.298 -7.869 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.423 -6.853 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.556 -8.099 5.386 1.00 0.00 H new ATOM 1152 N PRO A 73 7.135 -6.993 3.490 1.00 0.00 N ATOM 1153 CA PRO A 73 7.456 -8.004 2.480 1.00 0.00 C ATOM 1154 C PRO A 73 6.805 -9.350 2.800 1.00 0.00 C ATOM 1155 O PRO A 73 6.359 -9.587 3.926 1.00 0.00 O ATOM 1156 CB PRO A 73 8.984 -8.119 2.554 1.00 0.00 C ATOM 1157 CG PRO A 73 9.435 -6.851 3.200 1.00 0.00 C ATOM 1158 CD PRO A 73 8.337 -6.458 4.144 1.00 0.00 C ATOM 0 HA PRO A 73 7.090 -7.727 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.287 -8.989 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.420 -8.233 1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.375 -6.997 3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.608 -6.073 2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.483 -6.888 5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.281 -5.377 4.271 1.00 0.00 H new ATOM 1166 N LEU A 74 6.748 -10.228 1.806 1.00 0.00 N ATOM 1167 CA LEU A 74 6.233 -11.578 2.005 1.00 0.00 C ATOM 1168 C LEU A 74 7.143 -12.380 2.930 1.00 0.00 C ATOM 1169 O LEU A 74 6.764 -13.454 3.399 1.00 0.00 O ATOM 1170 CB LEU A 74 6.105 -12.305 0.669 1.00 0.00 C ATOM 1171 CG LEU A 74 5.114 -11.703 -0.324 1.00 0.00 C ATOM 1172 CD1 LEU A 74 5.031 -12.566 -1.573 1.00 0.00 C ATOM 1173 CD2 LEU A 74 3.739 -11.544 0.305 1.00 0.00 C ATOM 0 H LEU A 74 7.052 -10.029 0.853 1.00 0.00 H new ATOM 0 HA LEU A 74 5.249 -11.491 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.088 -12.336 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.812 -13.337 0.865 1.00 0.00 H new ATOM 0 HG LEU A 74 5.472 -10.712 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.321 -12.126 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.014 -12.624 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.699 -13.568 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.053 -11.113 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.368 -12.519 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.809 -10.885 1.171 1.00 0.00 H new ATOM 1185 N ASP A 75 8.335 -11.829 3.178 1.00 0.00 N ATOM 1186 CA ASP A 75 9.366 -12.457 4.006 1.00 0.00 C ATOM 1187 C ASP A 75 9.996 -13.628 3.267 1.00 0.00 C ATOM 1188 O ASP A 75 9.536 -14.776 3.439 1.00 0.00 O ATOM 1189 CB ASP A 75 8.816 -12.901 5.366 1.00 0.00 C ATOM 1190 CG ASP A 75 9.918 -13.286 6.332 1.00 0.00 C ATOM 1191 OD1 ASP A 75 10.648 -12.381 6.794 1.00 0.00 O ATOM 1192 OD2 ASP A 75 10.047 -14.487 6.660 1.00 0.00 O ATOM 1193 OXT ASP A 75 10.936 -13.382 2.482 1.00 0.00 O ATOM 0 H ASP A 75 8.614 -10.922 2.804 1.00 0.00 H new ATOM 0 HA ASP A 75 10.135 -11.710 4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.223 -12.094 5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.146 -13.749 5.225 1.00 0.00 H new