USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 506 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 14 SER OG : rot 180:sc= -0.903 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.9,f=-2.1!) USER MOD Single : A 11 CYS SG : rot -167:sc= -7.28! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.139 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 32 SER OG : rot 180:sc= -0.521 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 44 ASN : amide:sc= -1.85 K(o=-1.9,f=-6.8!) USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0309) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.525 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -14:sc= 0.806 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.635 -3.972 -9.641 1.00 0.00 N ATOM 102 CA ASP A 7 90.948 -4.779 -8.418 1.00 0.00 C ATOM 103 C ASP A 7 90.000 -4.397 -7.275 1.00 0.00 C ATOM 104 O ASP A 7 89.741 -5.190 -6.388 1.00 0.00 O ATOM 105 CB ASP A 7 92.397 -4.436 -8.055 1.00 0.00 C ATOM 106 CG ASP A 7 93.338 -4.891 -9.177 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.011 -5.855 -9.851 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.372 -4.265 -9.342 1.00 0.00 O ATOM 0 HA ASP A 7 90.823 -5.848 -8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.497 -3.362 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.671 -4.922 -7.119 1.00 0.00 H new ATOM 113 N TRP A 8 89.482 -3.190 -7.292 1.00 0.00 N ATOM 114 CA TRP A 8 88.584 -2.736 -6.187 1.00 0.00 C ATOM 115 C TRP A 8 87.181 -3.339 -6.322 1.00 0.00 C ATOM 116 O TRP A 8 86.402 -3.288 -5.391 1.00 0.00 O ATOM 117 CB TRP A 8 88.518 -1.215 -6.301 1.00 0.00 C ATOM 118 CG TRP A 8 89.622 -0.515 -5.579 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.343 0.513 -6.084 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.145 -0.772 -4.242 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.281 0.919 -5.147 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.214 0.166 -3.994 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.810 -1.720 -3.207 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.934 0.167 -2.760 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.532 -1.724 -1.964 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.593 -0.782 -1.743 1.00 0.00 C ATOM 0 H TRP A 8 89.644 -2.501 -8.026 1.00 0.00 H new ATOM 0 HA TRP A 8 88.968 -3.057 -5.219 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.549 -0.936 -7.354 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.562 -0.870 -5.908 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.209 0.949 -7.063 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.941 1.683 -5.293 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.012 -2.430 -3.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.730 0.878 -2.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.276 -2.437 -1.195 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.135 -0.789 -0.809 1.00 0.00 H new ATOM 137 N ILE A 9 86.841 -3.915 -7.458 1.00 0.00 N ATOM 138 CA ILE A 9 85.426 -4.374 -7.673 1.00 0.00 C ATOM 139 C ILE A 9 85.001 -5.334 -6.547 1.00 0.00 C ATOM 140 O ILE A 9 85.707 -6.265 -6.209 1.00 0.00 O ATOM 141 CB ILE A 9 85.417 -5.087 -9.040 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.844 -4.118 -10.162 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.008 -5.612 -9.344 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.921 -2.894 -10.199 1.00 0.00 C ATOM 0 H ILE A 9 87.476 -4.085 -8.238 1.00 0.00 H new ATOM 0 HA ILE A 9 84.723 -3.541 -7.660 1.00 0.00 H new ATOM 0 HB ILE A 9 86.122 -5.917 -8.997 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.874 -3.799 -10.002 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.815 -4.631 -11.123 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.008 -6.115 -10.311 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.707 -6.317 -8.569 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.306 -4.778 -9.369 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.239 -2.223 -10.997 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.896 -3.217 -10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 9 84.971 -2.371 -9.244 1.00 0.00 H new ATOM 156 N GLY A 10 83.848 -5.098 -5.976 1.00 0.00 N ATOM 157 CA GLY A 10 83.383 -5.921 -4.820 1.00 0.00 C ATOM 158 C GLY A 10 83.947 -5.402 -3.485 1.00 0.00 C ATOM 159 O GLY A 10 83.649 -5.961 -2.443 1.00 0.00 O ATOM 0 H GLY A 10 83.203 -4.363 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.294 -5.912 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.688 -6.957 -4.965 1.00 0.00 H new ATOM 163 N CYS A 11 84.753 -4.352 -3.488 1.00 0.00 N ATOM 164 CA CYS A 11 85.271 -3.809 -2.185 1.00 0.00 C ATOM 165 C CYS A 11 84.244 -2.848 -1.554 1.00 0.00 C ATOM 166 O CYS A 11 83.426 -2.267 -2.243 1.00 0.00 O ATOM 167 CB CYS A 11 86.640 -3.140 -2.504 1.00 0.00 C ATOM 168 SG CYS A 11 86.484 -1.443 -3.156 1.00 0.00 S ATOM 0 H CYS A 11 85.067 -3.858 -4.323 1.00 0.00 H new ATOM 0 HA CYS A 11 85.419 -4.589 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.245 -3.119 -1.598 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.175 -3.752 -3.230 1.00 0.00 H new ATOM 0 HG CYS A 11 87.623 -1.064 -3.656 1.00 0.00 H new ATOM 174 N ALA A 12 84.291 -2.685 -0.256 1.00 0.00 N ATOM 175 CA ALA A 12 83.252 -1.871 0.448 1.00 0.00 C ATOM 176 C ALA A 12 83.717 -0.420 0.580 1.00 0.00 C ATOM 177 O ALA A 12 84.735 -0.151 1.193 1.00 0.00 O ATOM 178 CB ALA A 12 83.127 -2.513 1.831 1.00 0.00 C ATOM 0 H ALA A 12 85.008 -3.083 0.350 1.00 0.00 H new ATOM 0 HA ALA A 12 82.304 -1.855 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.382 -1.974 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.821 -3.554 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.089 -2.469 2.341 1.00 0.00 H new ATOM 184 N VAL A 13 82.981 0.510 0.017 1.00 0.00 N ATOM 185 CA VAL A 13 83.405 1.943 0.077 1.00 0.00 C ATOM 186 C VAL A 13 82.220 2.845 0.441 1.00 0.00 C ATOM 187 O VAL A 13 81.071 2.473 0.276 1.00 0.00 O ATOM 188 CB VAL A 13 83.931 2.274 -1.326 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.121 1.371 -1.648 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.831 2.049 -2.371 1.00 0.00 C ATOM 0 H VAL A 13 82.107 0.338 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 13 84.165 2.107 0.841 1.00 0.00 H new ATOM 0 HB VAL A 13 84.239 3.319 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.496 1.605 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.911 1.535 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.806 0.328 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.217 2.287 -3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.513 1.007 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.980 2.693 -2.148 1.00 0.00 H new ATOM 200 N SER A 14 82.502 4.025 0.934 1.00 0.00 N ATOM 201 CA SER A 14 81.419 5.010 1.215 1.00 0.00 C ATOM 202 C SER A 14 81.656 6.275 0.397 1.00 0.00 C ATOM 203 O SER A 14 82.780 6.722 0.254 1.00 0.00 O ATOM 204 CB SER A 14 81.525 5.306 2.711 1.00 0.00 C ATOM 205 OG SER A 14 80.556 6.284 3.066 1.00 0.00 O ATOM 0 H SER A 14 83.444 4.348 1.155 1.00 0.00 H new ATOM 0 HA SER A 14 80.431 4.633 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.366 4.394 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.526 5.664 2.953 1.00 0.00 H new ATOM 0 HG SER A 14 80.620 6.475 4.025 1.00 0.00 H new ATOM 211 N ILE A 15 80.610 6.852 -0.140 1.00 0.00 N ATOM 212 CA ILE A 15 80.786 8.013 -1.064 1.00 0.00 C ATOM 213 C ILE A 15 80.021 9.222 -0.529 1.00 0.00 C ATOM 214 O ILE A 15 78.820 9.164 -0.330 1.00 0.00 O ATOM 215 CB ILE A 15 80.197 7.579 -2.422 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.726 6.191 -2.860 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.580 8.614 -3.485 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.258 6.156 -2.837 1.00 0.00 C ATOM 0 H ILE A 15 79.643 6.569 0.022 1.00 0.00 H new ATOM 0 HA ILE A 15 81.835 8.293 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 15 79.114 7.512 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.331 5.421 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.368 5.961 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.168 8.315 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.179 9.588 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.666 8.676 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.604 5.171 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.649 6.911 -3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.612 6.362 -1.827 1.00 0.00 H new ATOM 230 N ALA A 16 80.710 10.311 -0.302 1.00 0.00 N ATOM 231 CA ALA A 16 80.027 11.558 0.146 1.00 0.00 C ATOM 232 C ALA A 16 79.811 12.479 -1.054 1.00 0.00 C ATOM 233 O ALA A 16 80.749 13.031 -1.598 1.00 0.00 O ATOM 234 CB ALA A 16 80.984 12.198 1.152 1.00 0.00 C ATOM 0 H ALA A 16 81.721 10.389 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 16 79.050 11.366 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.550 13.124 1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.151 11.512 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.934 12.415 0.663 1.00 0.00 H new ATOM 240 N CYS A 17 78.582 12.640 -1.468 1.00 0.00 N ATOM 241 CA CYS A 17 78.272 13.549 -2.611 1.00 0.00 C ATOM 242 C CYS A 17 77.870 14.924 -2.074 1.00 0.00 C ATOM 243 O CYS A 17 77.609 15.080 -0.895 1.00 0.00 O ATOM 244 CB CYS A 17 77.097 12.906 -3.359 1.00 0.00 C ATOM 245 SG CYS A 17 77.530 11.227 -3.898 1.00 0.00 S ATOM 0 H CYS A 17 77.771 12.176 -1.059 1.00 0.00 H new ATOM 0 HA CYS A 17 79.131 13.684 -3.269 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.221 12.872 -2.712 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.831 13.515 -4.223 1.00 0.00 H new ATOM 0 HG CYS A 17 76.522 10.700 -4.527 1.00 0.00 H new ATOM 251 N ASP A 18 77.820 15.920 -2.925 1.00 0.00 N ATOM 252 CA ASP A 18 77.476 17.304 -2.455 1.00 0.00 C ATOM 253 C ASP A 18 76.090 17.298 -1.789 1.00 0.00 C ATOM 254 O ASP A 18 75.356 16.333 -1.881 1.00 0.00 O ATOM 255 CB ASP A 18 77.482 18.182 -3.710 1.00 0.00 C ATOM 256 CG ASP A 18 77.550 19.656 -3.308 1.00 0.00 C ATOM 257 OD1 ASP A 18 78.651 20.166 -3.181 1.00 0.00 O ATOM 258 OD2 ASP A 18 76.499 20.251 -3.134 1.00 0.00 O ATOM 0 H ASP A 18 78.002 15.837 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 18 78.184 17.677 -1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 18 78.334 17.927 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 18 76.584 17.997 -4.299 1.00 0.00 H new ATOM 263 N GLU A 19 75.735 18.367 -1.121 1.00 0.00 N ATOM 264 CA GLU A 19 74.567 18.329 -0.176 1.00 0.00 C ATOM 265 C GLU A 19 73.294 17.818 -0.863 1.00 0.00 C ATOM 266 O GLU A 19 72.480 17.155 -0.244 1.00 0.00 O ATOM 267 CB GLU A 19 74.371 19.776 0.283 1.00 0.00 C ATOM 268 CG GLU A 19 75.590 20.226 1.099 1.00 0.00 C ATOM 269 CD GLU A 19 75.381 21.652 1.634 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.539 22.360 1.100 1.00 0.00 O ATOM 271 OE2 GLU A 19 76.070 22.012 2.573 1.00 0.00 O ATOM 0 H GLU A 19 76.204 19.271 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 19 74.760 17.648 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.238 20.427 -0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.467 19.858 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.753 19.539 1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.485 20.192 0.477 1.00 0.00 H new ATOM 278 N VAL A 20 73.115 18.116 -2.127 1.00 0.00 N ATOM 279 CA VAL A 20 71.851 17.711 -2.824 1.00 0.00 C ATOM 280 C VAL A 20 71.863 16.202 -3.114 1.00 0.00 C ATOM 281 O VAL A 20 70.823 15.581 -3.236 1.00 0.00 O ATOM 282 CB VAL A 20 71.830 18.522 -4.128 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.574 18.180 -4.936 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.824 20.017 -3.800 1.00 0.00 C ATOM 0 H VAL A 20 73.786 18.621 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 20 70.966 17.905 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 20 72.715 18.276 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.566 18.759 -5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.573 17.116 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.687 18.421 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.809 20.593 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 20 70.940 20.256 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.719 20.268 -3.231 1.00 0.00 H new ATOM 294 N LEU A 21 73.030 15.612 -3.223 1.00 0.00 N ATOM 295 CA LEU A 21 73.121 14.146 -3.497 1.00 0.00 C ATOM 296 C LEU A 21 73.173 13.330 -2.194 1.00 0.00 C ATOM 297 O LEU A 21 72.937 12.135 -2.201 1.00 0.00 O ATOM 298 CB LEU A 21 74.421 13.993 -4.279 1.00 0.00 C ATOM 299 CG LEU A 21 74.274 14.642 -5.658 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.618 14.600 -6.387 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.230 13.876 -6.477 1.00 0.00 C ATOM 0 H LEU A 21 73.928 16.088 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 21 72.252 13.777 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.242 14.458 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.669 12.937 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 21 73.955 15.677 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.514 15.062 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.364 15.144 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 21 75.936 13.564 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.126 14.339 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.549 12.841 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.271 13.903 -5.960 1.00 0.00 H new ATOM 313 N GLY A 22 73.477 13.961 -1.081 1.00 0.00 N ATOM 314 CA GLY A 22 73.549 13.222 0.217 1.00 0.00 C ATOM 315 C GLY A 22 74.686 12.194 0.181 1.00 0.00 C ATOM 316 O GLY A 22 75.672 12.368 -0.512 1.00 0.00 O ATOM 0 H GLY A 22 73.678 14.959 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.710 13.924 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.601 12.720 0.410 1.00 0.00 H new ATOM 320 N VAL A 23 74.553 11.125 0.929 1.00 0.00 N ATOM 321 CA VAL A 23 75.665 10.124 1.030 1.00 0.00 C ATOM 322 C VAL A 23 75.120 8.711 0.818 1.00 0.00 C ATOM 323 O VAL A 23 74.049 8.380 1.298 1.00 0.00 O ATOM 324 CB VAL A 23 76.219 10.264 2.456 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.411 9.315 2.644 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.674 11.707 2.700 1.00 0.00 C ATOM 0 H VAL A 23 73.721 10.901 1.475 1.00 0.00 H new ATOM 0 HA VAL A 23 76.434 10.296 0.277 1.00 0.00 H new ATOM 0 HB VAL A 23 75.434 10.008 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.801 9.417 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.087 8.287 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.193 9.566 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.066 11.799 3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.454 11.969 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.827 12.382 2.576 1.00 0.00 H new ATOM 336 N PHE A 24 75.848 7.878 0.110 1.00 0.00 N ATOM 337 CA PHE A 24 75.440 6.446 -0.005 1.00 0.00 C ATOM 338 C PHE A 24 76.635 5.527 0.272 1.00 0.00 C ATOM 339 O PHE A 24 77.777 5.931 0.171 1.00 0.00 O ATOM 340 CB PHE A 24 74.926 6.250 -1.441 1.00 0.00 C ATOM 341 CG PHE A 24 75.993 6.351 -2.514 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.718 5.175 -2.899 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.297 7.614 -3.128 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.740 5.257 -3.902 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.321 7.693 -4.129 1.00 0.00 C ATOM 346 CZ PHE A 24 78.041 6.516 -4.517 1.00 0.00 C ATOM 0 H PHE A 24 76.701 8.129 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 24 74.667 6.197 0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.450 5.272 -1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.156 6.995 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.494 4.227 -2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.756 8.502 -2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.283 4.370 -4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.550 8.642 -4.592 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.810 6.578 -5.273 1.00 0.00 H new ATOM 356 N GLN A 25 76.368 4.297 0.622 1.00 0.00 N ATOM 357 CA GLN A 25 77.463 3.305 0.833 1.00 0.00 C ATOM 358 C GLN A 25 77.070 1.974 0.191 1.00 0.00 C ATOM 359 O GLN A 25 75.903 1.623 0.155 1.00 0.00 O ATOM 360 CB GLN A 25 77.585 3.168 2.351 1.00 0.00 C ATOM 361 CG GLN A 25 77.986 4.519 2.950 1.00 0.00 C ATOM 362 CD GLN A 25 78.089 4.412 4.476 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.115 3.328 5.027 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.146 5.505 5.187 1.00 0.00 N ATOM 0 H GLN A 25 75.427 3.933 0.772 1.00 0.00 H new ATOM 0 HA GLN A 25 78.408 3.612 0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.637 2.836 2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.329 2.411 2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.942 4.840 2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.251 5.277 2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.124 6.415 4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.212 5.449 6.203 1.00 0.00 H new ATOM 373 N GLY A 26 78.028 1.238 -0.319 1.00 0.00 N ATOM 374 CA GLY A 26 77.694 -0.015 -1.063 1.00 0.00 C ATOM 375 C GLY A 26 78.974 -0.741 -1.477 1.00 0.00 C ATOM 376 O GLY A 26 80.066 -0.211 -1.363 1.00 0.00 O ATOM 0 H GLY A 26 79.023 1.451 -0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.084 -0.666 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.102 0.225 -1.946 1.00 0.00 H new ATOM 380 N LEU A 27 78.840 -1.955 -1.951 1.00 0.00 N ATOM 381 CA LEU A 27 80.011 -2.670 -2.536 1.00 0.00 C ATOM 382 C LEU A 27 80.108 -2.374 -4.034 1.00 0.00 C ATOM 383 O LEU A 27 79.125 -2.407 -4.751 1.00 0.00 O ATOM 384 CB LEU A 27 79.731 -4.155 -2.303 1.00 0.00 C ATOM 385 CG LEU A 27 79.797 -4.461 -0.806 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.110 -5.799 -0.528 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.262 -4.543 -0.372 1.00 0.00 C ATOM 0 H LEU A 27 77.966 -2.481 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 27 80.953 -2.359 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.748 -4.416 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.460 -4.762 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 27 79.293 -3.671 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.157 -6.017 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.068 -5.745 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.615 -6.590 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.314 -4.761 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 27 81.763 -5.335 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.755 -3.591 -0.572 1.00 0.00 H new ATOM 399 N ILE A 28 81.292 -2.087 -4.501 1.00 0.00 N ATOM 400 CA ILE A 28 81.481 -1.715 -5.940 1.00 0.00 C ATOM 401 C ILE A 28 81.181 -2.916 -6.848 1.00 0.00 C ATOM 402 O ILE A 28 81.573 -4.031 -6.567 1.00 0.00 O ATOM 403 CB ILE A 28 82.957 -1.295 -6.050 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.204 -0.079 -5.148 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.298 -0.933 -7.499 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.696 0.267 -5.142 1.00 0.00 C ATOM 0 H ILE A 28 82.147 -2.093 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 28 80.809 -0.916 -6.254 1.00 0.00 H new ATOM 0 HB ILE A 28 83.589 -2.125 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.625 0.773 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.867 -0.292 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.345 -0.638 -7.563 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.125 -1.797 -8.140 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.667 -0.106 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.866 1.131 -4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.265 -0.583 -4.765 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.020 0.499 -6.157 1.00 0.00 H new ATOM 418 N LYS A 29 80.482 -2.686 -7.934 1.00 0.00 N ATOM 419 CA LYS A 29 80.292 -3.761 -8.955 1.00 0.00 C ATOM 420 C LYS A 29 81.180 -3.485 -10.172 1.00 0.00 C ATOM 421 O LYS A 29 81.706 -4.396 -10.785 1.00 0.00 O ATOM 422 CB LYS A 29 78.815 -3.697 -9.347 1.00 0.00 C ATOM 423 CG LYS A 29 78.502 -4.825 -10.333 1.00 0.00 C ATOM 424 CD LYS A 29 77.067 -4.678 -10.845 1.00 0.00 C ATOM 425 CE LYS A 29 76.702 -5.893 -11.701 1.00 0.00 C ATOM 426 NZ LYS A 29 75.281 -6.187 -11.364 1.00 0.00 N ATOM 0 H LYS A 29 80.034 -1.797 -8.156 1.00 0.00 H new ATOM 0 HA LYS A 29 80.562 -4.745 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.188 -3.789 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.589 -2.731 -9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.201 -4.795 -11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.628 -5.792 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.377 -4.591 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.971 -3.765 -11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.820 -5.678 -12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.346 -6.743 -11.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.957 -7.009 -11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.201 -6.395 -10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.691 -5.362 -11.596 1.00 0.00 H new ATOM 440 N GLN A 30 81.346 -2.233 -10.521 1.00 0.00 N ATOM 441 CA GLN A 30 82.181 -1.877 -11.712 1.00 0.00 C ATOM 442 C GLN A 30 82.759 -0.472 -11.533 1.00 0.00 C ATOM 443 O GLN A 30 82.197 0.351 -10.835 1.00 0.00 O ATOM 444 CB GLN A 30 81.237 -1.914 -12.919 1.00 0.00 C ATOM 445 CG GLN A 30 80.900 -3.362 -13.287 1.00 0.00 C ATOM 446 CD GLN A 30 80.041 -3.380 -14.554 1.00 0.00 C ATOM 447 OE1 GLN A 30 79.371 -2.414 -14.864 1.00 0.00 O ATOM 448 NE2 GLN A 30 80.033 -4.446 -15.307 1.00 0.00 N ATOM 0 H GLN A 30 80.937 -1.438 -10.030 1.00 0.00 H new ATOM 0 HA GLN A 30 83.016 -2.566 -11.843 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.322 -1.368 -12.690 1.00 0.00 H new ATOM 0 HB3 GLN A 30 81.703 -1.415 -13.769 1.00 0.00 H new ATOM 0 HG2 GLN A 30 81.816 -3.930 -13.448 1.00 0.00 H new ATOM 0 HG3 GLN A 30 80.367 -3.842 -12.467 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.595 -5.257 -15.048 1.00 0.00 H new ATOM 0 HE22 GLN A 30 79.465 -4.468 -16.154 1.00 0.00 H new ATOM 457 N ILE A 31 83.878 -0.195 -12.158 1.00 0.00 N ATOM 458 CA ILE A 31 84.504 1.156 -12.025 1.00 0.00 C ATOM 459 C ILE A 31 85.038 1.622 -13.383 1.00 0.00 C ATOM 460 O ILE A 31 85.609 0.854 -14.135 1.00 0.00 O ATOM 461 CB ILE A 31 85.647 0.998 -11.010 1.00 0.00 C ATOM 462 CG1 ILE A 31 85.083 0.500 -9.671 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.342 2.353 -10.801 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.220 0.258 -8.670 1.00 0.00 C ATOM 0 H ILE A 31 84.385 -0.848 -12.755 1.00 0.00 H new ATOM 0 HA ILE A 31 83.786 1.904 -11.689 1.00 0.00 H new ATOM 0 HB ILE A 31 86.369 0.275 -11.390 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.385 1.233 -9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.523 -0.422 -9.825 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.152 2.239 -10.081 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.747 2.705 -11.750 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.620 3.078 -10.424 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.805 -0.095 -7.726 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.902 -0.492 -9.069 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.762 1.189 -8.503 1.00 0.00 H new ATOM 476 N SER A 32 84.850 2.879 -13.691 1.00 0.00 N ATOM 477 CA SER A 32 85.423 3.452 -14.942 1.00 0.00 C ATOM 478 C SER A 32 85.817 4.909 -14.700 1.00 0.00 C ATOM 479 O SER A 32 85.314 5.551 -13.798 1.00 0.00 O ATOM 480 CB SER A 32 84.305 3.361 -15.979 1.00 0.00 C ATOM 481 OG SER A 32 83.231 4.204 -15.586 1.00 0.00 O ATOM 0 H SER A 32 84.318 3.538 -13.122 1.00 0.00 H new ATOM 0 HA SER A 32 86.316 2.922 -15.274 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.677 3.660 -16.959 1.00 0.00 H new ATOM 0 HB3 SER A 32 83.960 2.331 -16.069 1.00 0.00 H new ATOM 0 HG SER A 32 82.512 4.149 -16.250 1.00 0.00 H new ATOM 487 N ALA A 33 86.703 5.438 -15.504 1.00 0.00 N ATOM 488 CA ALA A 33 87.291 6.788 -15.211 1.00 0.00 C ATOM 489 C ALA A 33 86.195 7.852 -15.049 1.00 0.00 C ATOM 490 O ALA A 33 86.405 8.865 -14.405 1.00 0.00 O ATOM 491 CB ALA A 33 88.171 7.117 -16.420 1.00 0.00 C ATOM 0 H ALA A 33 87.048 4.994 -16.355 1.00 0.00 H new ATOM 0 HA ALA A 33 87.854 6.779 -14.278 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.636 8.093 -16.277 1.00 0.00 H new ATOM 0 HB2 ALA A 33 88.946 6.358 -16.523 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.559 7.135 -17.322 1.00 0.00 H new ATOM 497 N GLU A 34 85.034 7.633 -15.622 1.00 0.00 N ATOM 498 CA GLU A 34 83.976 8.691 -15.611 1.00 0.00 C ATOM 499 C GLU A 34 83.034 8.522 -14.412 1.00 0.00 C ATOM 500 O GLU A 34 82.439 9.480 -13.952 1.00 0.00 O ATOM 501 CB GLU A 34 83.213 8.503 -16.923 1.00 0.00 C ATOM 502 CG GLU A 34 84.155 8.752 -18.106 1.00 0.00 C ATOM 503 CD GLU A 34 83.390 8.638 -19.435 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.316 8.054 -19.444 1.00 0.00 O ATOM 505 OE2 GLU A 34 83.897 9.139 -20.425 1.00 0.00 O ATOM 0 H GLU A 34 84.775 6.768 -16.096 1.00 0.00 H new ATOM 0 HA GLU A 34 84.407 9.688 -15.522 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.805 7.494 -16.976 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.369 9.191 -16.966 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.602 9.742 -18.021 1.00 0.00 H new ATOM 0 HG3 GLU A 34 84.972 8.031 -18.086 1.00 0.00 H new ATOM 512 N GLU A 35 82.894 7.320 -13.902 1.00 0.00 N ATOM 513 CA GLU A 35 81.863 7.067 -12.845 1.00 0.00 C ATOM 514 C GLU A 35 82.226 5.839 -11.999 1.00 0.00 C ATOM 515 O GLU A 35 82.993 4.991 -12.414 1.00 0.00 O ATOM 516 CB GLU A 35 80.551 6.842 -13.607 1.00 0.00 C ATOM 517 CG GLU A 35 80.691 5.643 -14.553 1.00 0.00 C ATOM 518 CD GLU A 35 79.421 5.503 -15.397 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.824 6.521 -15.711 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.067 4.380 -15.716 1.00 0.00 O ATOM 0 H GLU A 35 83.447 6.506 -14.171 1.00 0.00 H new ATOM 0 HA GLU A 35 81.789 7.901 -12.147 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.738 6.667 -12.903 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.293 7.736 -14.175 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.557 5.777 -15.201 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.861 4.732 -13.979 1.00 0.00 H new ATOM 527 N ILE A 36 81.675 5.748 -10.815 1.00 0.00 N ATOM 528 CA ILE A 36 81.802 4.494 -10.007 1.00 0.00 C ATOM 529 C ILE A 36 80.423 3.843 -9.853 1.00 0.00 C ATOM 530 O ILE A 36 79.433 4.527 -9.660 1.00 0.00 O ATOM 531 CB ILE A 36 82.339 4.941 -8.639 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.669 5.703 -8.802 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.557 3.713 -7.751 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.717 4.818 -9.493 1.00 0.00 C ATOM 0 H ILE A 36 81.139 6.493 -10.370 1.00 0.00 H new ATOM 0 HA ILE A 36 82.461 3.763 -10.476 1.00 0.00 H new ATOM 0 HB ILE A 36 81.610 5.607 -8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.507 6.608 -9.387 1.00 0.00 H new ATOM 0 HG13 ILE A 36 84.037 6.017 -7.825 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.938 4.029 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.611 3.189 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.277 3.045 -8.224 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.649 5.373 -9.599 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.893 3.926 -8.892 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.354 4.526 -10.479 1.00 0.00 H new ATOM 546 N THR A 37 80.349 2.534 -9.939 1.00 0.00 N ATOM 547 CA THR A 37 79.020 1.847 -9.881 1.00 0.00 C ATOM 548 C THR A 37 79.003 0.807 -8.753 1.00 0.00 C ATOM 549 O THR A 37 79.904 -0.002 -8.635 1.00 0.00 O ATOM 550 CB THR A 37 78.873 1.162 -11.241 1.00 0.00 C ATOM 551 OG1 THR A 37 78.992 2.132 -12.272 1.00 0.00 O ATOM 552 CG2 THR A 37 77.504 0.483 -11.331 1.00 0.00 C ATOM 0 H THR A 37 81.152 1.914 -10.047 1.00 0.00 H new ATOM 0 HA THR A 37 78.205 2.543 -9.680 1.00 0.00 H new ATOM 0 HB THR A 37 79.654 0.411 -11.355 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.900 1.695 -13.144 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.402 -0.004 -12.301 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.414 -0.262 -10.540 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.719 1.230 -11.216 1.00 0.00 H new ATOM 560 N ILE A 38 77.978 0.821 -7.933 1.00 0.00 N ATOM 561 CA ILE A 38 77.907 -0.134 -6.775 1.00 0.00 C ATOM 562 C ILE A 38 76.517 -0.779 -6.700 1.00 0.00 C ATOM 563 O ILE A 38 75.605 -0.395 -7.407 1.00 0.00 O ATOM 564 CB ILE A 38 78.163 0.695 -5.506 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.168 1.862 -5.442 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.597 1.235 -5.506 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.878 2.215 -3.985 1.00 0.00 C ATOM 0 H ILE A 38 77.183 1.455 -8.015 1.00 0.00 H new ATOM 0 HA ILE A 38 78.640 -0.933 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 38 78.028 0.056 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.576 2.729 -5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.243 1.592 -5.951 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.765 1.820 -4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.299 0.402 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.748 1.867 -6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.171 3.044 -3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.451 1.349 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.805 2.504 -3.489 1.00 0.00 H new ATOM 579 N VAL A 39 76.357 -1.753 -5.838 1.00 0.00 N ATOM 580 CA VAL A 39 75.055 -2.489 -5.743 1.00 0.00 C ATOM 581 C VAL A 39 74.566 -2.532 -4.290 1.00 0.00 C ATOM 582 O VAL A 39 75.316 -2.287 -3.368 1.00 0.00 O ATOM 583 CB VAL A 39 75.339 -3.899 -6.268 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.784 -3.810 -7.726 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.446 -4.558 -5.436 1.00 0.00 C ATOM 0 H VAL A 39 77.077 -2.073 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 39 74.270 -2.000 -6.320 1.00 0.00 H new ATOM 0 HB VAL A 39 74.433 -4.500 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.988 -4.811 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.994 -3.350 -8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.688 -3.205 -7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.640 -5.560 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.356 -3.961 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.130 -4.621 -4.395 1.00 0.00 H new ATOM 595 N ARG A 40 73.303 -2.841 -4.089 1.00 0.00 N ATOM 596 CA ARG A 40 72.694 -2.789 -2.713 1.00 0.00 C ATOM 597 C ARG A 40 72.859 -1.387 -2.120 1.00 0.00 C ATOM 598 O ARG A 40 73.554 -1.189 -1.141 1.00 0.00 O ATOM 599 CB ARG A 40 73.432 -3.838 -1.863 1.00 0.00 C ATOM 600 CG ARG A 40 73.335 -5.213 -2.532 1.00 0.00 C ATOM 601 CD ARG A 40 71.879 -5.688 -2.520 1.00 0.00 C ATOM 602 NE ARG A 40 71.914 -7.071 -3.096 1.00 0.00 N ATOM 603 CZ ARG A 40 70.942 -7.941 -2.877 1.00 0.00 C ATOM 604 NH1 ARG A 40 69.891 -7.642 -2.143 1.00 0.00 N ATOM 605 NH2 ARG A 40 71.027 -9.131 -3.406 1.00 0.00 N ATOM 0 H ARG A 40 72.660 -3.130 -4.826 1.00 0.00 H new ATOM 0 HA ARG A 40 71.626 -3.004 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.478 -3.554 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 40 72.999 -3.879 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 40 73.701 -5.157 -3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 40 73.966 -5.930 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.474 -5.693 -1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.245 -5.030 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 40 72.708 -7.349 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 40 69.809 -6.716 -1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 40 69.159 -8.336 -1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 40 71.834 -9.378 -3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 40 70.286 -9.814 -3.247 1.00 0.00 H new ATOM 619 N ALA A 41 72.217 -0.418 -2.720 1.00 0.00 N ATOM 620 CA ALA A 41 72.434 1.008 -2.316 1.00 0.00 C ATOM 621 C ALA A 41 71.877 1.286 -0.916 1.00 0.00 C ATOM 622 O ALA A 41 70.714 1.050 -0.634 1.00 0.00 O ATOM 623 CB ALA A 41 71.675 1.836 -3.356 1.00 0.00 C ATOM 0 H ALA A 41 71.547 -0.552 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 41 73.496 1.251 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.786 2.896 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 41 72.079 1.634 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.619 1.569 -3.333 1.00 0.00 H new ATOM 629 N PHE A 42 72.706 1.790 -0.039 1.00 0.00 N ATOM 630 CA PHE A 42 72.204 2.339 1.254 1.00 0.00 C ATOM 631 C PHE A 42 72.467 3.846 1.298 1.00 0.00 C ATOM 632 O PHE A 42 73.544 4.296 0.965 1.00 0.00 O ATOM 633 CB PHE A 42 73.003 1.616 2.343 1.00 0.00 C ATOM 634 CG PHE A 42 72.359 0.334 2.830 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.488 -0.884 2.077 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.617 0.338 4.059 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.875 -2.091 2.554 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.006 -0.869 4.534 1.00 0.00 C ATOM 639 CZ PHE A 42 71.134 -2.083 3.781 1.00 0.00 C ATOM 0 H PHE A 42 73.717 1.845 -0.165 1.00 0.00 H new ATOM 0 HA PHE A 42 71.133 2.188 1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 42 73.997 1.388 1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.135 2.289 3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.046 -0.891 1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.519 1.252 4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 42 71.972 -3.006 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.449 -0.864 5.459 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.672 -2.991 4.139 1.00 0.00 H new ATOM 649 N ARG A 43 71.494 4.624 1.705 1.00 0.00 N ATOM 650 CA ARG A 43 71.655 6.111 1.683 1.00 0.00 C ATOM 651 C ARG A 43 71.149 6.710 2.996 1.00 0.00 C ATOM 652 O ARG A 43 70.177 6.251 3.561 1.00 0.00 O ATOM 653 CB ARG A 43 70.799 6.581 0.505 1.00 0.00 C ATOM 654 CG ARG A 43 71.140 8.034 0.166 1.00 0.00 C ATOM 655 CD ARG A 43 70.437 8.430 -1.136 1.00 0.00 C ATOM 656 NE ARG A 43 68.997 8.604 -0.763 1.00 0.00 N ATOM 657 CZ ARG A 43 68.546 9.724 -0.225 1.00 0.00 C ATOM 658 NH1 ARG A 43 69.336 10.744 0.032 1.00 0.00 N ATOM 659 NH2 ARG A 43 67.277 9.819 0.066 1.00 0.00 N ATOM 0 H ARG A 43 70.594 4.293 2.052 1.00 0.00 H new ATOM 0 HA ARG A 43 72.695 6.419 1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 43 70.975 5.944 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.741 6.494 0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.826 8.692 0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.219 8.151 0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.853 9.351 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 43 70.557 7.661 -1.899 1.00 0.00 H new ATOM 0 HE ARG A 43 68.346 7.837 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 43 70.331 10.686 -0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 43 68.953 11.593 0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 43 66.651 9.036 -0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 43 66.912 10.676 0.482 1.00 0.00 H new ATOM 673 N ASN A 44 71.810 7.732 3.493 1.00 0.00 N ATOM 674 CA ASN A 44 71.397 8.360 4.797 1.00 0.00 C ATOM 675 C ASN A 44 71.291 7.304 5.909 1.00 0.00 C ATOM 676 O ASN A 44 70.402 7.355 6.739 1.00 0.00 O ATOM 677 CB ASN A 44 70.028 9.001 4.540 1.00 0.00 C ATOM 678 CG ASN A 44 70.137 10.029 3.410 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.298 10.073 2.534 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.141 10.864 3.394 1.00 0.00 N ATOM 0 H ASN A 44 72.622 8.162 3.050 1.00 0.00 H new ATOM 0 HA ASN A 44 72.132 9.093 5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.301 8.233 4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.666 9.483 5.448 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.220 11.553 2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.846 10.828 4.130 1.00 0.00 H new ATOM 687 N GLY A 45 72.192 6.354 5.924 1.00 0.00 N ATOM 688 CA GLY A 45 72.214 5.339 7.023 1.00 0.00 C ATOM 689 C GLY A 45 70.913 4.523 7.040 1.00 0.00 C ATOM 690 O GLY A 45 70.556 3.949 8.053 1.00 0.00 O ATOM 0 H GLY A 45 72.918 6.237 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 45 73.065 4.671 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.347 5.839 7.983 1.00 0.00 H new ATOM 694 N VAL A 46 70.204 4.466 5.935 1.00 0.00 N ATOM 695 CA VAL A 46 68.984 3.605 5.862 1.00 0.00 C ATOM 696 C VAL A 46 68.890 2.954 4.465 1.00 0.00 C ATOM 697 O VAL A 46 69.367 3.517 3.502 1.00 0.00 O ATOM 698 CB VAL A 46 67.814 4.564 6.130 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.469 3.856 5.922 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.899 5.044 7.578 1.00 0.00 C ATOM 0 H VAL A 46 70.420 4.980 5.081 1.00 0.00 H new ATOM 0 HA VAL A 46 68.991 2.785 6.580 1.00 0.00 H new ATOM 0 HB VAL A 46 67.879 5.403 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.656 4.555 6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.401 3.499 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.393 3.011 6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.074 5.726 7.784 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.838 4.188 8.249 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.846 5.561 7.735 1.00 0.00 H new ATOM 710 N PRO A 47 68.277 1.784 4.387 1.00 0.00 N ATOM 711 CA PRO A 47 68.249 1.042 3.100 1.00 0.00 C ATOM 712 C PRO A 47 67.359 1.768 2.087 1.00 0.00 C ATOM 713 O PRO A 47 66.305 2.272 2.430 1.00 0.00 O ATOM 714 CB PRO A 47 67.657 -0.327 3.461 1.00 0.00 C ATOM 715 CG PRO A 47 67.589 -0.370 4.958 1.00 0.00 C ATOM 716 CD PRO A 47 67.565 1.050 5.444 1.00 0.00 C ATOM 0 HA PRO A 47 69.235 0.957 2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.667 -0.451 3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.280 -1.134 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.698 -0.904 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.448 -0.902 5.367 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.545 1.415 5.569 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.061 1.153 6.409 1.00 0.00 H new ATOM 724 N LEU A 48 67.776 1.825 0.843 1.00 0.00 N ATOM 725 CA LEU A 48 66.911 2.433 -0.216 1.00 0.00 C ATOM 726 C LEU A 48 65.818 1.446 -0.637 1.00 0.00 C ATOM 727 O LEU A 48 65.987 0.244 -0.543 1.00 0.00 O ATOM 728 CB LEU A 48 67.854 2.738 -1.382 1.00 0.00 C ATOM 729 CG LEU A 48 68.906 3.761 -0.935 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.947 3.969 -2.049 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.215 5.095 -0.616 1.00 0.00 C ATOM 0 H LEU A 48 68.678 1.477 0.517 1.00 0.00 H new ATOM 0 HA LEU A 48 66.403 3.333 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.341 1.823 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.289 3.128 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 48 69.413 3.389 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.689 4.697 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.440 3.022 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.450 4.336 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.960 5.824 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.705 5.463 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.489 4.947 0.183 1.00 0.00 H new ATOM 743 N ARG A 49 64.699 1.949 -1.102 1.00 0.00 N ATOM 744 CA ARG A 49 63.534 1.056 -1.419 1.00 0.00 C ATOM 745 C ARG A 49 63.935 -0.033 -2.421 1.00 0.00 C ATOM 746 O ARG A 49 63.468 -1.155 -2.343 1.00 0.00 O ATOM 747 CB ARG A 49 62.473 1.975 -2.032 1.00 0.00 C ATOM 748 CG ARG A 49 62.010 2.990 -0.984 1.00 0.00 C ATOM 749 CD ARG A 49 60.874 3.839 -1.563 1.00 0.00 C ATOM 750 NE ARG A 49 60.633 4.913 -0.547 1.00 0.00 N ATOM 751 CZ ARG A 49 60.037 6.050 -0.864 1.00 0.00 C ATOM 752 NH1 ARG A 49 59.620 6.302 -2.086 1.00 0.00 N ATOM 753 NH2 ARG A 49 59.855 6.950 0.064 1.00 0.00 N ATOM 0 H ARG A 49 64.540 2.941 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 49 63.170 0.544 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.882 2.493 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 49 61.625 1.386 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.671 2.473 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 49 62.842 3.629 -0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 49 61.152 4.264 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 49 59.977 3.241 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 49 60.937 4.763 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 49 59.753 5.610 -2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 49 59.164 7.190 -2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 49 60.171 6.771 1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 49 59.397 7.832 -0.164 1.00 0.00 H new ATOM 767 N LYS A 50 64.795 0.291 -3.356 1.00 0.00 N ATOM 768 CA LYS A 50 65.248 -0.727 -4.352 1.00 0.00 C ATOM 769 C LYS A 50 66.567 -1.358 -3.898 1.00 0.00 C ATOM 770 O LYS A 50 67.636 -0.853 -4.189 1.00 0.00 O ATOM 771 CB LYS A 50 65.446 0.049 -5.654 1.00 0.00 C ATOM 772 CG LYS A 50 64.101 0.605 -6.127 1.00 0.00 C ATOM 773 CD LYS A 50 64.277 1.274 -7.491 1.00 0.00 C ATOM 774 CE LYS A 50 62.961 1.933 -7.911 1.00 0.00 C ATOM 775 NZ LYS A 50 62.970 3.266 -7.247 1.00 0.00 N ATOM 0 H LYS A 50 65.203 1.219 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 50 64.529 -1.538 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 50 66.154 0.863 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.871 -0.603 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.367 -0.198 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.718 1.325 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 50 65.070 2.020 -7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.579 0.536 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.897 2.032 -8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 50 62.103 1.340 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 62.007 3.505 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 63.603 3.239 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 63.306 3.986 -7.918 1.00 0.00 H new ATOM 789 N GLN A 51 66.493 -2.458 -3.189 1.00 0.00 N ATOM 790 CA GLN A 51 67.741 -3.142 -2.721 1.00 0.00 C ATOM 791 C GLN A 51 68.567 -3.612 -3.920 1.00 0.00 C ATOM 792 O GLN A 51 69.783 -3.555 -3.905 1.00 0.00 O ATOM 793 CB GLN A 51 67.266 -4.342 -1.897 1.00 0.00 C ATOM 794 CG GLN A 51 66.524 -3.847 -0.653 1.00 0.00 C ATOM 795 CD GLN A 51 66.005 -5.045 0.148 1.00 0.00 C ATOM 796 OE1 GLN A 51 65.836 -6.124 -0.385 1.00 0.00 O ATOM 797 NE2 GLN A 51 65.743 -4.898 1.418 1.00 0.00 N ATOM 0 H GLN A 51 65.622 -2.913 -2.914 1.00 0.00 H new ATOM 0 HA GLN A 51 68.375 -2.476 -2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 51 66.610 -4.972 -2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.118 -4.956 -1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.191 -3.245 -0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 51 65.693 -3.205 -0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.884 -3.993 1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.397 -5.688 1.962 1.00 0.00 H new ATOM 806 N ASN A 52 67.913 -4.075 -4.957 1.00 0.00 N ATOM 807 CA ASN A 52 68.650 -4.597 -6.149 1.00 0.00 C ATOM 808 C ASN A 52 68.979 -3.475 -7.150 1.00 0.00 C ATOM 809 O ASN A 52 69.546 -3.733 -8.197 1.00 0.00 O ATOM 810 CB ASN A 52 67.699 -5.613 -6.783 1.00 0.00 C ATOM 811 CG ASN A 52 67.432 -6.755 -5.798 1.00 0.00 C ATOM 812 OD1 ASN A 52 68.214 -6.997 -4.900 1.00 0.00 O ATOM 813 ND2 ASN A 52 66.350 -7.473 -5.930 1.00 0.00 N ATOM 0 H ASN A 52 66.896 -4.114 -5.029 1.00 0.00 H new ATOM 0 HA ASN A 52 69.606 -5.036 -5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.762 -5.128 -7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 52 68.132 -6.007 -7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 52 66.162 -8.236 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 52 65.693 -7.271 -6.683 1.00 0.00 H new ATOM 820 N ALA A 53 68.634 -2.238 -6.847 1.00 0.00 N ATOM 821 CA ALA A 53 68.924 -1.121 -7.802 1.00 0.00 C ATOM 822 C ALA A 53 70.412 -0.762 -7.759 1.00 0.00 C ATOM 823 O ALA A 53 71.003 -0.664 -6.699 1.00 0.00 O ATOM 824 CB ALA A 53 68.076 0.058 -7.318 1.00 0.00 C ATOM 0 H ALA A 53 68.167 -1.960 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 53 68.689 -1.392 -8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.238 0.915 -7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.022 -0.220 -7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.364 0.319 -6.300 1.00 0.00 H new ATOM 830 N GLU A 54 71.014 -0.566 -8.906 1.00 0.00 N ATOM 831 CA GLU A 54 72.458 -0.178 -8.947 1.00 0.00 C ATOM 832 C GLU A 54 72.604 1.352 -8.893 1.00 0.00 C ATOM 833 O GLU A 54 71.829 2.077 -9.489 1.00 0.00 O ATOM 834 CB GLU A 54 73.002 -0.754 -10.272 1.00 0.00 C ATOM 835 CG GLU A 54 72.375 -0.051 -11.489 1.00 0.00 C ATOM 836 CD GLU A 54 72.920 -0.676 -12.774 1.00 0.00 C ATOM 837 OE1 GLU A 54 74.085 -0.461 -13.066 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.164 -1.360 -13.443 1.00 0.00 O ATOM 0 H GLU A 54 70.566 -0.658 -9.818 1.00 0.00 H new ATOM 0 HA GLU A 54 73.014 -0.567 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.086 -0.640 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.792 -1.823 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.290 -0.145 -11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.603 1.015 -11.465 1.00 0.00 H new ATOM 845 N VAL A 55 73.591 1.837 -8.181 1.00 0.00 N ATOM 846 CA VAL A 55 73.842 3.312 -8.133 1.00 0.00 C ATOM 847 C VAL A 55 75.049 3.651 -9.006 1.00 0.00 C ATOM 848 O VAL A 55 76.118 3.097 -8.827 1.00 0.00 O ATOM 849 CB VAL A 55 74.148 3.623 -6.660 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.418 5.123 -6.485 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.953 3.225 -5.789 1.00 0.00 C ATOM 0 H VAL A 55 74.237 1.273 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 55 72.994 3.891 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 55 75.029 3.058 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.634 5.334 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.272 5.413 -7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.540 5.689 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.174 3.447 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.072 3.786 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.761 2.158 -5.900 1.00 0.00 H new ATOM 861 N VAL A 56 74.887 4.550 -9.945 1.00 0.00 N ATOM 862 CA VAL A 56 76.052 4.982 -10.778 1.00 0.00 C ATOM 863 C VAL A 56 76.221 6.495 -10.672 1.00 0.00 C ATOM 864 O VAL A 56 75.390 7.256 -11.135 1.00 0.00 O ATOM 865 CB VAL A 56 75.734 4.574 -12.219 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.955 4.873 -13.087 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.425 3.074 -12.290 1.00 0.00 C ATOM 0 H VAL A 56 74.001 5.002 -10.170 1.00 0.00 H new ATOM 0 HA VAL A 56 76.981 4.519 -10.444 1.00 0.00 H new ATOM 0 HB VAL A 56 74.866 5.131 -12.571 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.747 4.588 -14.118 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.181 5.939 -13.043 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.810 4.306 -12.720 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.201 2.797 -13.320 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.289 2.508 -11.942 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.566 2.849 -11.658 1.00 0.00 H new ATOM 877 N LEU A 57 77.292 6.928 -10.068 1.00 0.00 N ATOM 878 CA LEU A 57 77.472 8.384 -9.796 1.00 0.00 C ATOM 879 C LEU A 57 78.836 8.859 -10.303 1.00 0.00 C ATOM 880 O LEU A 57 79.847 8.220 -10.079 1.00 0.00 O ATOM 881 CB LEU A 57 77.341 8.489 -8.278 1.00 0.00 C ATOM 882 CG LEU A 57 75.853 8.585 -7.925 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.598 7.960 -6.557 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.438 10.058 -7.879 1.00 0.00 C ATOM 0 H LEU A 57 78.056 6.333 -9.748 1.00 0.00 H new ATOM 0 HA LEU A 57 76.746 9.017 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.789 7.619 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.875 9.366 -7.911 1.00 0.00 H new ATOM 0 HG LEU A 57 75.275 8.054 -8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.538 8.033 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.894 6.911 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.180 8.488 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.380 10.130 -7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 57 76.026 10.578 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.612 10.516 -8.853 1.00 0.00 H new ATOM 896 N LYS A 58 78.863 9.976 -10.988 1.00 0.00 N ATOM 897 CA LYS A 58 80.144 10.469 -11.587 1.00 0.00 C ATOM 898 C LYS A 58 81.056 11.052 -10.505 1.00 0.00 C ATOM 899 O LYS A 58 80.599 11.675 -9.566 1.00 0.00 O ATOM 900 CB LYS A 58 79.730 11.563 -12.575 1.00 0.00 C ATOM 901 CG LYS A 58 78.881 10.950 -13.690 1.00 0.00 C ATOM 902 CD LYS A 58 78.563 12.020 -14.737 1.00 0.00 C ATOM 903 CE LYS A 58 77.614 11.441 -15.789 1.00 0.00 C ATOM 904 NZ LYS A 58 76.247 11.723 -15.269 1.00 0.00 N ATOM 0 H LYS A 58 78.051 10.570 -11.159 1.00 0.00 H new ATOM 0 HA LYS A 58 80.699 9.666 -12.071 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.165 12.339 -12.059 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.614 12.040 -12.997 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.415 10.120 -14.153 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.957 10.544 -13.277 1.00 0.00 H new ATOM 0 HD2 LYS A 58 78.107 12.887 -14.259 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.482 12.364 -15.211 1.00 0.00 H new ATOM 0 HE2 LYS A 58 77.771 11.907 -16.762 1.00 0.00 H new ATOM 0 HE3 LYS A 58 77.774 10.371 -15.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 75.539 11.355 -15.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 76.125 11.261 -14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 76.121 12.750 -15.162 1.00 0.00 H new ATOM 918 N CYS A 59 82.346 10.850 -10.634 1.00 0.00 N ATOM 919 CA CYS A 59 83.318 11.450 -9.657 1.00 0.00 C ATOM 920 C CYS A 59 83.131 12.973 -9.562 1.00 0.00 C ATOM 921 O CYS A 59 83.342 13.568 -8.522 1.00 0.00 O ATOM 922 CB CYS A 59 84.716 11.109 -10.204 1.00 0.00 C ATOM 923 SG CYS A 59 84.930 11.781 -11.878 1.00 0.00 S ATOM 0 H CYS A 59 82.772 10.294 -11.376 1.00 0.00 H new ATOM 0 HA CYS A 59 83.169 11.056 -8.652 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.480 11.516 -9.542 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.852 10.028 -10.220 1.00 0.00 H new ATOM 0 HG CYS A 59 86.117 11.483 -12.317 1.00 0.00 H new ATOM 929 N THR A 60 82.735 13.596 -10.646 1.00 0.00 N ATOM 930 CA THR A 60 82.535 15.081 -10.636 1.00 0.00 C ATOM 931 C THR A 60 81.392 15.455 -9.686 1.00 0.00 C ATOM 932 O THR A 60 81.357 16.548 -9.150 1.00 0.00 O ATOM 933 CB THR A 60 82.176 15.458 -12.078 1.00 0.00 C ATOM 934 OG1 THR A 60 80.982 14.788 -12.457 1.00 0.00 O ATOM 935 CG2 THR A 60 83.313 15.053 -13.018 1.00 0.00 C ATOM 0 H THR A 60 82.541 13.141 -11.538 1.00 0.00 H new ATOM 0 HA THR A 60 83.425 15.608 -10.292 1.00 0.00 H new ATOM 0 HB THR A 60 82.026 16.536 -12.143 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.750 15.029 -13.378 1.00 0.00 H new ATOM 0 HG21 THR A 60 83.053 15.323 -14.041 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.227 15.571 -12.727 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.470 13.976 -12.956 1.00 0.00 H new ATOM 943 N ASP A 61 80.462 14.555 -9.478 1.00 0.00 N ATOM 944 CA ASP A 61 79.345 14.825 -8.521 1.00 0.00 C ATOM 945 C ASP A 61 79.744 14.391 -7.106 1.00 0.00 C ATOM 946 O ASP A 61 79.220 14.890 -6.128 1.00 0.00 O ATOM 947 CB ASP A 61 78.167 13.993 -9.033 1.00 0.00 C ATOM 948 CG ASP A 61 77.751 14.480 -10.426 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.923 15.657 -10.702 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.267 13.664 -11.194 1.00 0.00 O ATOM 0 H ASP A 61 80.429 13.642 -9.932 1.00 0.00 H new ATOM 0 HA ASP A 61 79.095 15.885 -8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.445 12.940 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.326 14.074 -8.344 1.00 0.00 H new ATOM 955 N ILE A 62 80.667 13.464 -6.994 1.00 0.00 N ATOM 956 CA ILE A 62 81.158 13.040 -5.646 1.00 0.00 C ATOM 957 C ILE A 62 82.204 14.037 -5.138 1.00 0.00 C ATOM 958 O ILE A 62 83.022 14.527 -5.895 1.00 0.00 O ATOM 959 CB ILE A 62 81.787 11.656 -5.862 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.734 10.690 -6.416 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.314 11.114 -4.530 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.402 9.365 -6.788 1.00 0.00 C ATOM 0 H ILE A 62 81.102 12.983 -7.781 1.00 0.00 H new ATOM 0 HA ILE A 62 80.360 13.006 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 62 82.610 11.747 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.954 10.520 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.251 11.124 -7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.760 10.132 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.067 11.795 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.491 11.029 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.653 8.678 -7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.166 9.543 -7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.864 8.929 -5.902 1.00 0.00 H new ATOM 974 N ARG A 63 82.180 14.337 -3.862 1.00 0.00 N ATOM 975 CA ARG A 63 83.157 15.315 -3.294 1.00 0.00 C ATOM 976 C ARG A 63 84.291 14.575 -2.579 1.00 0.00 C ATOM 977 O ARG A 63 85.405 15.062 -2.509 1.00 0.00 O ATOM 978 CB ARG A 63 82.352 16.157 -2.302 1.00 0.00 C ATOM 979 CG ARG A 63 81.233 16.894 -3.041 1.00 0.00 C ATOM 980 CD ARG A 63 81.834 18.010 -3.901 1.00 0.00 C ATOM 981 NE ARG A 63 82.473 18.954 -2.928 1.00 0.00 N ATOM 982 CZ ARG A 63 83.408 19.811 -3.303 1.00 0.00 C ATOM 983 NH1 ARG A 63 83.827 19.885 -4.548 1.00 0.00 N ATOM 984 NH2 ARG A 63 83.931 20.607 -2.411 1.00 0.00 N ATOM 0 H ARG A 63 81.523 13.944 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 63 83.618 15.931 -4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.930 15.518 -1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 63 83.005 16.873 -1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 63 80.677 16.197 -3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 63 80.525 17.313 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 63 82.566 17.614 -4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 63 81.065 18.511 -4.489 1.00 0.00 H new ATOM 0 HE ARG A 63 82.179 18.935 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.429 19.270 -5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.550 20.558 -4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 63 83.618 20.562 -1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 63 84.653 21.274 -2.683 1.00 0.00 H new ATOM 998 N SER A 64 84.017 13.404 -2.048 1.00 0.00 N ATOM 999 CA SER A 64 85.093 12.617 -1.365 1.00 0.00 C ATOM 1000 C SER A 64 84.698 11.142 -1.262 1.00 0.00 C ATOM 1001 O SER A 64 83.530 10.807 -1.225 1.00 0.00 O ATOM 1002 CB SER A 64 85.222 13.240 0.024 1.00 0.00 C ATOM 1003 OG SER A 64 85.762 14.549 -0.096 1.00 0.00 O ATOM 0 H SER A 64 83.098 12.962 -2.059 1.00 0.00 H new ATOM 0 HA SER A 64 86.034 12.649 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 64 84.247 13.280 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 64 85.866 12.625 0.653 1.00 0.00 H new ATOM 0 HG SER A 64 86.131 14.670 -0.996 1.00 0.00 H new ATOM 1009 N ILE A 65 85.669 10.260 -1.214 1.00 0.00 N ATOM 1010 CA ILE A 65 85.364 8.797 -1.129 1.00 0.00 C ATOM 1011 C ILE A 65 86.341 8.119 -0.162 1.00 0.00 C ATOM 1012 O ILE A 65 87.479 8.529 -0.028 1.00 0.00 O ATOM 1013 CB ILE A 65 85.541 8.235 -2.547 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.631 8.988 -3.531 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.173 6.746 -2.545 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.886 8.491 -4.957 1.00 0.00 C ATOM 0 H ILE A 65 86.662 10.492 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 65 84.354 8.618 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 65 86.578 8.361 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.585 8.834 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.822 10.059 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.296 6.339 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.825 6.211 -1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.136 6.628 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.239 9.028 -5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.928 8.667 -5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.673 7.424 -5.014 1.00 0.00 H new ATOM 1028 N ASP A 66 85.896 7.085 0.509 1.00 0.00 N ATOM 1029 CA ASP A 66 86.794 6.344 1.446 1.00 0.00 C ATOM 1030 C ASP A 66 86.598 4.829 1.293 1.00 0.00 C ATOM 1031 O ASP A 66 85.491 4.335 1.377 1.00 0.00 O ATOM 1032 CB ASP A 66 86.374 6.810 2.846 1.00 0.00 C ATOM 1033 CG ASP A 66 84.900 6.472 3.102 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.060 7.301 2.793 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.640 5.390 3.603 1.00 0.00 O ATOM 0 H ASP A 66 84.945 6.722 0.447 1.00 0.00 H new ATOM 0 HA ASP A 66 87.848 6.541 1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 66 87.000 6.331 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.529 7.885 2.940 1.00 0.00 H new ATOM 1040 N LEU A 67 87.664 4.097 1.070 1.00 0.00 N ATOM 1041 CA LEU A 67 87.563 2.603 1.062 1.00 0.00 C ATOM 1042 C LEU A 67 87.464 2.080 2.497 1.00 0.00 C ATOM 1043 O LEU A 67 88.397 2.199 3.271 1.00 0.00 O ATOM 1044 CB LEU A 67 88.860 2.116 0.410 1.00 0.00 C ATOM 1045 CG LEU A 67 88.669 1.998 -1.109 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.939 2.464 -1.825 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.394 0.536 -1.479 1.00 0.00 C ATOM 0 H LEU A 67 88.597 4.469 0.894 1.00 0.00 H new ATOM 0 HA LEU A 67 86.681 2.252 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.671 2.810 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 67 89.146 1.150 0.826 1.00 0.00 H new ATOM 0 HG LEU A 67 87.827 2.620 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.801 2.379 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.142 3.503 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.779 1.842 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.258 0.453 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.237 -0.082 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.491 0.196 -0.973 1.00 0.00 H new ATOM 1059 N ILE A 68 86.342 1.505 2.854 1.00 0.00 N ATOM 1060 CA ILE A 68 86.177 0.962 4.239 1.00 0.00 C ATOM 1061 C ILE A 68 86.941 -0.360 4.377 1.00 0.00 C ATOM 1062 O ILE A 68 87.810 -0.499 5.217 1.00 0.00 O ATOM 1063 CB ILE A 68 84.668 0.740 4.413 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.928 2.071 4.233 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.382 0.194 5.815 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.418 1.824 4.244 1.00 0.00 C ATOM 0 H ILE A 68 85.532 1.388 2.245 1.00 0.00 H new ATOM 0 HA ILE A 68 86.570 1.639 4.998 1.00 0.00 H new ATOM 0 HB ILE A 68 84.326 0.024 3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 68 84.200 2.761 5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.223 2.539 3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 68 83.310 0.038 5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.903 -0.754 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.729 0.908 6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.893 2.771 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 68 82.154 1.150 3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 68 82.130 1.375 5.195 1.00 0.00 H new ATOM 1078 N GLU A 69 86.616 -1.325 3.553 1.00 0.00 N ATOM 1079 CA GLU A 69 87.285 -2.660 3.645 1.00 0.00 C ATOM 1080 C GLU A 69 87.628 -3.185 2.240 1.00 0.00 C ATOM 1081 O GLU A 69 86.897 -2.929 1.305 1.00 0.00 O ATOM 1082 CB GLU A 69 86.259 -3.570 4.322 1.00 0.00 C ATOM 1083 CG GLU A 69 86.369 -3.423 5.841 1.00 0.00 C ATOM 1084 CD GLU A 69 85.376 -4.368 6.519 1.00 0.00 C ATOM 1085 OE1 GLU A 69 84.249 -3.956 6.736 1.00 0.00 O ATOM 1086 OE2 GLU A 69 85.760 -5.489 6.811 1.00 0.00 O ATOM 0 H GLU A 69 85.914 -1.245 2.818 1.00 0.00 H new ATOM 0 HA GLU A 69 88.221 -2.614 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.253 -3.309 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.430 -4.607 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 69 87.384 -3.651 6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 69 86.164 -2.393 6.133 1.00 0.00 H new