USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=8 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= -0.936 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.94,f=-2.1) USER MOD Single : A 11 CYS SG : rot -167:sc= -6.73! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.145 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= -0.55 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 44 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.477 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.324 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.637 -3.864 -9.968 1.00 0.00 N ATOM 102 CA ASP A 7 91.027 -4.612 -8.731 1.00 0.00 C ATOM 103 C ASP A 7 90.104 -4.229 -7.569 1.00 0.00 C ATOM 104 O ASP A 7 89.891 -5.009 -6.659 1.00 0.00 O ATOM 105 CB ASP A 7 92.472 -4.196 -8.432 1.00 0.00 C ATOM 106 CG ASP A 7 93.391 -4.649 -9.573 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.083 -5.650 -10.200 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.388 -3.985 -9.799 1.00 0.00 O ATOM 0 HA ASP A 7 90.943 -5.690 -8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.531 -3.114 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.800 -4.638 -7.491 1.00 0.00 H new ATOM 113 N TRP A 8 89.555 -3.034 -7.595 1.00 0.00 N ATOM 114 CA TRP A 8 88.681 -2.581 -6.470 1.00 0.00 C ATOM 115 C TRP A 8 87.287 -3.214 -6.553 1.00 0.00 C ATOM 116 O TRP A 8 86.537 -3.165 -5.601 1.00 0.00 O ATOM 117 CB TRP A 8 88.580 -1.063 -6.596 1.00 0.00 C ATOM 118 CG TRP A 8 89.643 -0.323 -5.848 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.294 0.769 -6.316 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.194 -0.594 -4.520 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.214 1.196 -5.372 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.206 0.400 -4.248 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.933 -1.595 -3.511 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.940 0.405 -3.023 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.670 -1.594 -2.278 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.673 -0.596 -2.037 1.00 0.00 C ATOM 0 H TRP A 8 89.677 -2.356 -8.348 1.00 0.00 H new ATOM 0 HA TRP A 8 89.102 -2.881 -5.511 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.634 -0.791 -7.650 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.603 -0.742 -6.234 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.123 1.234 -7.275 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.825 2.004 -5.495 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.179 -2.349 -3.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.691 1.159 -2.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.469 -2.347 -1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.227 -0.601 -1.110 1.00 0.00 H new ATOM 137 N ILE A 9 86.924 -3.811 -7.669 1.00 0.00 N ATOM 138 CA ILE A 9 85.507 -4.285 -7.840 1.00 0.00 C ATOM 139 C ILE A 9 85.121 -5.236 -6.693 1.00 0.00 C ATOM 140 O ILE A 9 85.854 -6.145 -6.351 1.00 0.00 O ATOM 141 CB ILE A 9 85.464 -5.014 -9.197 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.860 -4.058 -10.342 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.048 -5.544 -9.458 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.932 -2.836 -10.370 1.00 0.00 C ATOM 0 H ILE A 9 87.541 -3.989 -8.462 1.00 0.00 H new ATOM 0 HA ILE A 9 84.799 -3.457 -7.817 1.00 0.00 H new ATOM 0 HB ILE A 9 86.172 -5.842 -9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.893 -3.734 -10.212 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.808 -4.583 -11.296 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.023 -6.058 -10.419 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.768 -6.239 -8.667 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.345 -4.711 -9.474 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.227 -2.174 -11.184 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.904 -3.163 -10.523 1.00 0.00 H new ATOM 0 HD13 ILE A 9 85.005 -2.302 -9.423 1.00 0.00 H new ATOM 156 N GLY A 10 83.970 -5.019 -6.105 1.00 0.00 N ATOM 157 CA GLY A 10 83.525 -5.866 -4.959 1.00 0.00 C ATOM 158 C GLY A 10 84.095 -5.367 -3.619 1.00 0.00 C ATOM 159 O GLY A 10 83.810 -5.949 -2.585 1.00 0.00 O ATOM 0 H GLY A 10 83.315 -4.284 -6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.436 -5.869 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.839 -6.896 -5.126 1.00 0.00 H new ATOM 163 N CYS A 11 84.890 -4.310 -3.607 1.00 0.00 N ATOM 164 CA CYS A 11 85.414 -3.788 -2.297 1.00 0.00 C ATOM 165 C CYS A 11 84.378 -2.859 -1.634 1.00 0.00 C ATOM 166 O CYS A 11 83.545 -2.278 -2.302 1.00 0.00 O ATOM 167 CB CYS A 11 86.759 -3.077 -2.615 1.00 0.00 C ATOM 168 SG CYS A 11 86.539 -1.402 -3.304 1.00 0.00 S ATOM 0 H CYS A 11 85.192 -3.796 -4.435 1.00 0.00 H new ATOM 0 HA CYS A 11 85.587 -4.586 -1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.353 -3.013 -1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.325 -3.683 -3.323 1.00 0.00 H new ATOM 0 HG CYS A 11 87.666 -0.985 -3.800 1.00 0.00 H new ATOM 174 N ALA A 12 84.433 -2.726 -0.332 1.00 0.00 N ATOM 175 CA ALA A 12 83.412 -1.901 0.389 1.00 0.00 C ATOM 176 C ALA A 12 83.889 -0.452 0.509 1.00 0.00 C ATOM 177 O ALA A 12 84.931 -0.190 1.079 1.00 0.00 O ATOM 178 CB ALA A 12 83.303 -2.540 1.773 1.00 0.00 C ATOM 0 H ALA A 12 85.142 -3.153 0.264 1.00 0.00 H new ATOM 0 HA ALA A 12 82.455 -1.878 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.572 -1.994 2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.985 -3.578 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.274 -2.505 2.267 1.00 0.00 H new ATOM 184 N VAL A 13 83.136 0.485 -0.020 1.00 0.00 N ATOM 185 CA VAL A 13 83.563 1.918 0.044 1.00 0.00 C ATOM 186 C VAL A 13 82.384 2.819 0.432 1.00 0.00 C ATOM 187 O VAL A 13 81.233 2.458 0.261 1.00 0.00 O ATOM 188 CB VAL A 13 84.070 2.256 -1.364 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.252 1.352 -1.712 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.952 2.041 -2.392 1.00 0.00 C ATOM 0 H VAL A 13 82.247 0.319 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 13 84.334 2.078 0.798 1.00 0.00 H new ATOM 0 HB VAL A 13 84.383 3.300 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.612 1.592 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.054 1.508 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.934 0.310 -1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.322 2.284 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.631 1.000 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.107 2.687 -2.151 1.00 0.00 H new ATOM 200 N SER A 14 82.673 3.987 0.952 1.00 0.00 N ATOM 201 CA SER A 14 81.595 4.971 1.258 1.00 0.00 C ATOM 202 C SER A 14 81.809 6.233 0.428 1.00 0.00 C ATOM 203 O SER A 14 82.929 6.670 0.241 1.00 0.00 O ATOM 204 CB SER A 14 81.742 5.275 2.748 1.00 0.00 C ATOM 205 OG SER A 14 80.810 6.283 3.118 1.00 0.00 O ATOM 0 H SER A 14 83.617 4.300 1.178 1.00 0.00 H new ATOM 0 HA SER A 14 80.601 4.591 1.024 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.569 4.372 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.758 5.606 2.965 1.00 0.00 H new ATOM 0 HG SER A 14 80.902 6.478 4.074 1.00 0.00 H new ATOM 211 N ILE A 15 80.748 6.818 -0.069 1.00 0.00 N ATOM 212 CA ILE A 15 80.899 7.971 -1.007 1.00 0.00 C ATOM 213 C ILE A 15 80.141 9.181 -0.466 1.00 0.00 C ATOM 214 O ILE A 15 78.943 9.123 -0.251 1.00 0.00 O ATOM 215 CB ILE A 15 80.283 7.524 -2.350 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.801 6.129 -2.784 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.648 8.547 -3.431 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.334 6.090 -2.786 1.00 0.00 C ATOM 0 H ILE A 15 79.786 6.547 0.134 1.00 0.00 H new ATOM 0 HA ILE A 15 81.945 8.253 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 15 79.202 7.460 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.415 5.367 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.426 5.891 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.217 8.239 -4.384 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.255 9.525 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.732 8.605 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.672 5.101 -3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.716 6.837 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.705 6.305 -1.784 1.00 0.00 H new ATOM 230 N ALA A 16 80.833 10.270 -0.250 1.00 0.00 N ATOM 231 CA ALA A 16 80.156 11.520 0.198 1.00 0.00 C ATOM 232 C ALA A 16 79.929 12.433 -1.005 1.00 0.00 C ATOM 233 O ALA A 16 80.865 12.980 -1.560 1.00 0.00 O ATOM 234 CB ALA A 16 81.122 12.164 1.191 1.00 0.00 C ATOM 0 H ALA A 16 81.844 10.346 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 16 79.183 11.333 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.692 13.093 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.296 11.482 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.068 12.377 0.693 1.00 0.00 H new ATOM 240 N CYS A 17 78.697 12.592 -1.412 1.00 0.00 N ATOM 241 CA CYS A 17 78.381 13.490 -2.563 1.00 0.00 C ATOM 242 C CYS A 17 77.972 14.867 -2.040 1.00 0.00 C ATOM 243 O CYS A 17 77.710 15.033 -0.862 1.00 0.00 O ATOM 244 CB CYS A 17 77.210 12.834 -3.306 1.00 0.00 C ATOM 245 SG CYS A 17 77.648 11.149 -3.823 1.00 0.00 S ATOM 0 H CYS A 17 77.888 12.134 -0.992 1.00 0.00 H new ATOM 0 HA CYS A 17 79.239 13.624 -3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.332 12.806 -2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.945 13.431 -4.179 1.00 0.00 H new ATOM 0 HG CYS A 17 76.643 10.612 -4.448 1.00 0.00 H new ATOM 251 N ASP A 18 77.916 15.855 -2.901 1.00 0.00 N ATOM 252 CA ASP A 18 77.566 17.241 -2.442 1.00 0.00 C ATOM 253 C ASP A 18 76.179 17.237 -1.783 1.00 0.00 C ATOM 254 O ASP A 18 75.448 16.269 -1.866 1.00 0.00 O ATOM 255 CB ASP A 18 77.576 18.110 -3.705 1.00 0.00 C ATOM 256 CG ASP A 18 77.643 19.592 -3.319 1.00 0.00 C ATOM 257 OD1 ASP A 18 78.220 19.893 -2.285 1.00 0.00 O ATOM 258 OD2 ASP A 18 77.116 20.401 -4.064 1.00 0.00 O ATOM 0 H ASP A 18 78.097 15.764 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 18 78.269 17.621 -1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 18 78.430 17.849 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 18 76.680 17.919 -4.295 1.00 0.00 H new ATOM 263 N GLU A 19 75.818 18.313 -1.129 1.00 0.00 N ATOM 264 CA GLU A 19 74.641 18.283 -0.195 1.00 0.00 C ATOM 265 C GLU A 19 73.374 17.767 -0.891 1.00 0.00 C ATOM 266 O GLU A 19 72.550 17.115 -0.274 1.00 0.00 O ATOM 267 CB GLU A 19 74.441 19.734 0.251 1.00 0.00 C ATOM 268 CG GLU A 19 75.653 20.191 1.072 1.00 0.00 C ATOM 269 CD GLU A 19 75.441 21.622 1.591 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.608 22.327 1.040 1.00 0.00 O ATOM 271 OE2 GLU A 19 76.120 21.989 2.536 1.00 0.00 O ATOM 0 H GLU A 19 76.287 19.216 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 19 74.826 17.609 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.314 20.378 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.532 19.820 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.808 19.513 1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.553 20.150 0.458 1.00 0.00 H new ATOM 278 N VAL A 20 73.213 18.051 -2.161 1.00 0.00 N ATOM 279 CA VAL A 20 71.957 17.641 -2.870 1.00 0.00 C ATOM 280 C VAL A 20 71.971 16.128 -3.145 1.00 0.00 C ATOM 281 O VAL A 20 70.931 15.509 -3.274 1.00 0.00 O ATOM 282 CB VAL A 20 71.954 18.439 -4.181 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.707 18.091 -5.002 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.947 19.938 -3.868 1.00 0.00 C ATOM 0 H VAL A 20 73.893 18.547 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 20 71.064 17.842 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 20 72.846 18.185 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.712 18.661 -5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.708 17.025 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.813 18.339 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.945 20.504 -4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 20 71.056 20.185 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.835 20.193 -3.290 1.00 0.00 H new ATOM 294 N LEU A 21 73.138 15.536 -3.234 1.00 0.00 N ATOM 295 CA LEU A 21 73.230 14.068 -3.498 1.00 0.00 C ATOM 296 C LEU A 21 73.268 13.262 -2.189 1.00 0.00 C ATOM 297 O LEU A 21 73.033 12.067 -2.190 1.00 0.00 O ATOM 298 CB LEU A 21 74.538 13.908 -4.264 1.00 0.00 C ATOM 299 CG LEU A 21 74.404 14.544 -5.649 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.791 14.689 -6.280 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.531 13.653 -6.540 1.00 0.00 C ATOM 0 H LEU A 21 74.035 16.011 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 21 72.367 13.697 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.353 14.379 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.787 12.851 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 21 73.942 15.527 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.696 15.142 -7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.414 15.322 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.252 13.706 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.436 14.107 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.993 12.670 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.543 13.548 -6.092 1.00 0.00 H new ATOM 313 N GLY A 22 73.558 13.901 -1.077 1.00 0.00 N ATOM 314 CA GLY A 22 73.619 13.169 0.227 1.00 0.00 C ATOM 315 C GLY A 22 74.764 12.149 0.211 1.00 0.00 C ATOM 316 O GLY A 22 75.760 12.329 -0.466 1.00 0.00 O ATOM 0 H GLY A 22 73.755 14.900 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.765 13.877 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.673 12.661 0.411 1.00 0.00 H new ATOM 320 N VAL A 23 74.626 11.080 0.958 1.00 0.00 N ATOM 321 CA VAL A 23 75.742 10.087 1.080 1.00 0.00 C ATOM 322 C VAL A 23 75.207 8.669 0.883 1.00 0.00 C ATOM 323 O VAL A 23 74.121 8.349 1.330 1.00 0.00 O ATOM 324 CB VAL A 23 76.288 10.244 2.507 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.496 9.315 2.703 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.717 11.696 2.748 1.00 0.00 C ATOM 0 H VAL A 23 73.787 10.851 1.490 1.00 0.00 H new ATOM 0 HA VAL A 23 76.514 10.257 0.329 1.00 0.00 H new ATOM 0 HB VAL A 23 75.505 9.979 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.882 9.428 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.189 8.281 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.275 9.576 1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.103 11.798 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.495 11.969 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.859 12.355 2.618 1.00 0.00 H new ATOM 336 N PHE A 24 75.960 7.823 0.220 1.00 0.00 N ATOM 337 CA PHE A 24 75.571 6.383 0.143 1.00 0.00 C ATOM 338 C PHE A 24 76.783 5.488 0.421 1.00 0.00 C ATOM 339 O PHE A 24 77.916 5.903 0.288 1.00 0.00 O ATOM 340 CB PHE A 24 75.038 6.152 -1.279 1.00 0.00 C ATOM 341 CG PHE A 24 76.084 6.265 -2.369 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.834 5.102 -2.750 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.345 7.525 -3.007 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.836 5.195 -3.771 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.349 7.616 -4.026 1.00 0.00 C ATOM 346 CZ PHE A 24 78.093 6.453 -4.410 1.00 0.00 C ATOM 0 H PHE A 24 76.822 8.068 -0.268 1.00 0.00 H new ATOM 0 HA PHE A 24 74.814 6.136 0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.587 5.161 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.245 6.873 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.643 4.155 -2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.785 8.403 -2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.397 4.318 -4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.545 8.564 -4.506 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.847 6.524 -5.180 1.00 0.00 H new ATOM 356 N GLN A 25 76.538 4.264 0.806 1.00 0.00 N ATOM 357 CA GLN A 25 77.651 3.291 1.016 1.00 0.00 C ATOM 358 C GLN A 25 77.263 1.942 0.409 1.00 0.00 C ATOM 359 O GLN A 25 76.113 1.546 0.463 1.00 0.00 O ATOM 360 CB GLN A 25 77.803 3.185 2.535 1.00 0.00 C ATOM 361 CG GLN A 25 78.194 4.554 3.101 1.00 0.00 C ATOM 362 CD GLN A 25 78.327 4.478 4.625 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.402 3.405 5.193 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.356 5.583 5.317 1.00 0.00 N ATOM 0 H GLN A 25 75.605 3.893 0.986 1.00 0.00 H new ATOM 0 HA GLN A 25 78.583 3.602 0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.869 2.847 2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.563 2.445 2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 25 79.137 4.881 2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.442 5.296 2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.293 6.484 4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.441 5.547 6.333 1.00 0.00 H new ATOM 373 N GLY A 26 78.206 1.238 -0.166 1.00 0.00 N ATOM 374 CA GLY A 26 77.863 -0.017 -0.903 1.00 0.00 C ATOM 375 C GLY A 26 79.136 -0.700 -1.398 1.00 0.00 C ATOM 376 O GLY A 26 80.216 -0.138 -1.345 1.00 0.00 O ATOM 0 H GLY A 26 79.197 1.478 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.310 -0.692 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.213 0.214 -1.747 1.00 0.00 H new ATOM 380 N LEU A 27 79.013 -1.916 -1.876 1.00 0.00 N ATOM 381 CA LEU A 27 80.183 -2.606 -2.493 1.00 0.00 C ATOM 382 C LEU A 27 80.236 -2.304 -3.990 1.00 0.00 C ATOM 383 O LEU A 27 79.231 -2.337 -4.677 1.00 0.00 O ATOM 384 CB LEU A 27 79.943 -4.097 -2.253 1.00 0.00 C ATOM 385 CG LEU A 27 80.017 -4.394 -0.755 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.451 -5.790 -0.483 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.480 -4.340 -0.297 1.00 0.00 C ATOM 0 H LEU A 27 78.149 -2.459 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 27 81.130 -2.277 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.967 -4.386 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.688 -4.686 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 27 79.435 -3.652 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.504 -6.002 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.412 -5.832 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 27 80.034 -6.532 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.535 -4.551 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 27 82.060 -5.083 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.886 -3.347 -0.492 1.00 0.00 H new ATOM 399 N ILE A 28 81.405 -2.010 -4.492 1.00 0.00 N ATOM 400 CA ILE A 28 81.546 -1.647 -5.937 1.00 0.00 C ATOM 401 C ILE A 28 81.235 -2.860 -6.820 1.00 0.00 C ATOM 402 O ILE A 28 81.652 -3.967 -6.540 1.00 0.00 O ATOM 403 CB ILE A 28 83.014 -1.212 -6.099 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.283 0.006 -5.204 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.308 -0.853 -7.564 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.771 0.366 -5.255 1.00 0.00 C ATOM 0 H ILE A 28 82.276 -2.005 -3.961 1.00 0.00 H new ATOM 0 HA ILE A 28 80.857 -0.857 -6.235 1.00 0.00 H new ATOM 0 HB ILE A 28 83.664 -2.036 -5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.683 0.853 -5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.987 -0.212 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.350 -0.548 -7.662 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.124 -1.722 -8.196 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.659 -0.034 -7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.958 1.231 -4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.362 -0.479 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.053 0.603 -6.281 1.00 0.00 H new ATOM 418 N LYS A 29 80.499 -2.650 -7.882 1.00 0.00 N ATOM 419 CA LYS A 29 80.278 -3.738 -8.880 1.00 0.00 C ATOM 420 C LYS A 29 81.047 -3.426 -10.166 1.00 0.00 C ATOM 421 O LYS A 29 81.488 -4.319 -10.865 1.00 0.00 O ATOM 422 CB LYS A 29 78.773 -3.746 -9.139 1.00 0.00 C ATOM 423 CG LYS A 29 78.420 -4.906 -10.072 1.00 0.00 C ATOM 424 CD LYS A 29 78.495 -6.224 -9.298 1.00 0.00 C ATOM 425 CE LYS A 29 78.082 -7.378 -10.214 1.00 0.00 C ATOM 426 NZ LYS A 29 77.592 -8.442 -9.293 1.00 0.00 N ATOM 0 H LYS A 29 80.039 -1.766 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 29 80.628 -4.707 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.232 -3.845 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.465 -2.800 -9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.418 -4.767 -10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 29 79.107 -4.929 -10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 29 79.508 -6.384 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.840 -6.185 -8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.303 -7.070 -10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 29 78.924 -7.729 -10.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.290 -9.269 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 78.357 -8.720 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.787 -8.081 -8.743 1.00 0.00 H new ATOM 440 N GLN A 30 81.209 -2.163 -10.478 1.00 0.00 N ATOM 441 CA GLN A 30 81.969 -1.772 -11.707 1.00 0.00 C ATOM 442 C GLN A 30 82.585 -0.386 -11.506 1.00 0.00 C ATOM 443 O GLN A 30 82.050 0.438 -10.790 1.00 0.00 O ATOM 444 CB GLN A 30 80.947 -1.739 -12.850 1.00 0.00 C ATOM 445 CG GLN A 30 80.473 -3.158 -13.184 1.00 0.00 C ATOM 446 CD GLN A 30 79.580 -3.120 -14.428 1.00 0.00 C ATOM 447 OE1 GLN A 30 79.011 -2.097 -14.755 1.00 0.00 O ATOM 448 NE2 GLN A 30 79.433 -4.204 -15.141 1.00 0.00 N ATOM 0 H GLN A 30 80.846 -1.382 -9.931 1.00 0.00 H new ATOM 0 HA GLN A 30 82.777 -2.470 -11.924 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.095 -1.121 -12.567 1.00 0.00 H new ATOM 0 HB3 GLN A 30 81.393 -1.281 -13.732 1.00 0.00 H new ATOM 0 HG2 GLN A 30 81.331 -3.807 -13.359 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.923 -3.577 -12.341 1.00 0.00 H new ATOM 0 HE21 GLN A 30 79.910 -5.063 -14.867 1.00 0.00 H new ATOM 0 HE22 GLN A 30 78.841 -4.192 -15.972 1.00 0.00 H new ATOM 457 N ILE A 31 83.705 -0.125 -12.136 1.00 0.00 N ATOM 458 CA ILE A 31 84.355 1.216 -12.000 1.00 0.00 C ATOM 459 C ILE A 31 84.889 1.676 -13.361 1.00 0.00 C ATOM 460 O ILE A 31 85.460 0.904 -14.111 1.00 0.00 O ATOM 461 CB ILE A 31 85.501 1.035 -10.991 1.00 0.00 C ATOM 462 CG1 ILE A 31 84.934 0.570 -9.640 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.237 2.370 -10.798 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.077 0.284 -8.657 1.00 0.00 C ATOM 0 H ILE A 31 84.197 -0.784 -12.739 1.00 0.00 H new ATOM 0 HA ILE A 31 83.653 1.976 -11.657 1.00 0.00 H new ATOM 0 HB ILE A 31 86.196 0.287 -11.372 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.275 1.336 -9.231 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.331 -0.327 -9.780 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.048 2.238 -10.082 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.645 2.702 -11.753 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.540 3.119 -10.422 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.663 -0.045 -7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.719 -0.498 -9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.662 1.191 -8.505 1.00 0.00 H new ATOM 476 N SER A 32 84.699 2.930 -13.676 1.00 0.00 N ATOM 477 CA SER A 32 85.271 3.499 -14.930 1.00 0.00 C ATOM 478 C SER A 32 85.651 4.961 -14.698 1.00 0.00 C ATOM 479 O SER A 32 85.141 5.605 -13.801 1.00 0.00 O ATOM 480 CB SER A 32 84.157 3.389 -15.969 1.00 0.00 C ATOM 481 OG SER A 32 83.076 4.229 -15.587 1.00 0.00 O ATOM 0 H SER A 32 84.166 3.591 -13.111 1.00 0.00 H new ATOM 0 HA SER A 32 86.170 2.976 -15.255 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.530 3.680 -16.951 1.00 0.00 H new ATOM 0 HB3 SER A 32 83.819 2.356 -16.049 1.00 0.00 H new ATOM 0 HG SER A 32 82.359 4.163 -16.252 1.00 0.00 H new ATOM 487 N ALA A 33 86.534 5.492 -15.504 1.00 0.00 N ATOM 488 CA ALA A 33 87.106 6.852 -15.222 1.00 0.00 C ATOM 489 C ALA A 33 85.999 7.906 -15.072 1.00 0.00 C ATOM 490 O ALA A 33 86.196 8.928 -14.439 1.00 0.00 O ATOM 491 CB ALA A 33 87.988 7.179 -16.429 1.00 0.00 C ATOM 0 H ALA A 33 86.887 5.044 -16.349 1.00 0.00 H new ATOM 0 HA ALA A 33 87.665 6.858 -14.286 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.441 8.161 -16.293 1.00 0.00 H new ATOM 0 HB2 ALA A 33 88.772 6.427 -16.521 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.380 7.182 -17.334 1.00 0.00 H new ATOM 497 N GLU A 34 84.842 7.668 -15.646 1.00 0.00 N ATOM 498 CA GLU A 34 83.772 8.714 -15.647 1.00 0.00 C ATOM 499 C GLU A 34 82.831 8.545 -14.445 1.00 0.00 C ATOM 500 O GLU A 34 82.224 9.500 -13.996 1.00 0.00 O ATOM 501 CB GLU A 34 83.013 8.506 -16.958 1.00 0.00 C ATOM 502 CG GLU A 34 83.956 8.759 -18.140 1.00 0.00 C ATOM 503 CD GLU A 34 83.197 8.625 -19.470 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.134 8.022 -19.480 1.00 0.00 O ATOM 505 OE2 GLU A 34 83.696 9.131 -20.461 1.00 0.00 O ATOM 0 H GLU A 34 84.594 6.796 -16.113 1.00 0.00 H new ATOM 0 HA GLU A 34 84.190 9.717 -15.568 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.618 7.491 -17.005 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.160 9.183 -17.008 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.390 9.756 -18.060 1.00 0.00 H new ATOM 0 HG3 GLU A 34 84.782 8.049 -18.113 1.00 0.00 H new ATOM 512 N GLU A 35 82.706 7.347 -13.922 1.00 0.00 N ATOM 513 CA GLU A 35 81.681 7.093 -12.860 1.00 0.00 C ATOM 514 C GLU A 35 82.062 5.878 -12.003 1.00 0.00 C ATOM 515 O GLU A 35 82.817 5.022 -12.422 1.00 0.00 O ATOM 516 CB GLU A 35 80.370 6.843 -13.616 1.00 0.00 C ATOM 517 CG GLU A 35 80.521 5.636 -14.549 1.00 0.00 C ATOM 518 CD GLU A 35 79.250 5.477 -15.386 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.841 6.450 -15.997 1.00 0.00 O ATOM 520 OE2 GLU A 35 78.710 4.383 -15.403 1.00 0.00 O ATOM 0 H GLU A 35 83.268 6.537 -14.184 1.00 0.00 H new ATOM 0 HA GLU A 35 81.598 7.933 -12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.561 6.666 -12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.100 7.727 -14.193 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.384 5.772 -15.201 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.701 4.733 -13.966 1.00 0.00 H new ATOM 527 N ILE A 36 81.540 5.806 -10.804 1.00 0.00 N ATOM 528 CA ILE A 36 81.692 4.568 -9.977 1.00 0.00 C ATOM 529 C ILE A 36 80.320 3.915 -9.777 1.00 0.00 C ATOM 530 O ILE A 36 79.336 4.597 -9.553 1.00 0.00 O ATOM 531 CB ILE A 36 82.261 5.042 -8.631 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.585 5.804 -8.842 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.505 3.832 -7.724 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.618 4.909 -9.542 1.00 0.00 C ATOM 0 H ILE A 36 81.011 6.556 -10.359 1.00 0.00 H new ATOM 0 HA ILE A 36 82.342 3.831 -10.448 1.00 0.00 H new ATOM 0 HB ILE A 36 81.541 5.714 -8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.405 6.697 -9.440 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.976 6.137 -7.881 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.909 4.169 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.564 3.308 -7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.216 3.157 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.545 5.465 -9.682 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.811 4.029 -8.929 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.232 4.598 -10.512 1.00 0.00 H new ATOM 546 N THR A 37 80.246 2.605 -9.857 1.00 0.00 N ATOM 547 CA THR A 37 78.922 1.917 -9.750 1.00 0.00 C ATOM 548 C THR A 37 78.945 0.877 -8.624 1.00 0.00 C ATOM 549 O THR A 37 79.859 0.078 -8.527 1.00 0.00 O ATOM 550 CB THR A 37 78.726 1.231 -11.104 1.00 0.00 C ATOM 551 OG1 THR A 37 78.807 2.200 -12.140 1.00 0.00 O ATOM 552 CG2 THR A 37 77.356 0.550 -11.146 1.00 0.00 C ATOM 0 H THR A 37 81.045 1.986 -9.992 1.00 0.00 H new ATOM 0 HA THR A 37 78.116 2.613 -9.519 1.00 0.00 H new ATOM 0 HB THR A 37 79.504 0.480 -11.244 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.683 1.762 -13.008 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.221 0.063 -12.112 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.295 -0.195 -10.353 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.574 1.296 -11.004 1.00 0.00 H new ATOM 560 N ILE A 38 77.942 0.883 -7.778 1.00 0.00 N ATOM 561 CA ILE A 38 77.895 -0.089 -6.635 1.00 0.00 C ATOM 562 C ILE A 38 76.518 -0.757 -6.566 1.00 0.00 C ATOM 563 O ILE A 38 75.586 -0.343 -7.230 1.00 0.00 O ATOM 564 CB ILE A 38 78.148 0.730 -5.359 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.125 1.870 -5.260 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.563 1.311 -5.380 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.855 2.191 -3.791 1.00 0.00 C ATOM 0 H ILE A 38 77.149 1.522 -7.829 1.00 0.00 H new ATOM 0 HA ILE A 38 78.639 -0.877 -6.755 1.00 0.00 H new ATOM 0 HB ILE A 38 78.044 0.075 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.501 2.755 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.198 1.584 -5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.732 1.889 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.289 0.500 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.678 1.959 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.128 3.001 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.460 1.306 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.784 2.496 -3.308 1.00 0.00 H new ATOM 579 N VAL A 39 76.387 -1.784 -5.758 1.00 0.00 N ATOM 580 CA VAL A 39 75.086 -2.526 -5.679 1.00 0.00 C ATOM 581 C VAL A 39 74.617 -2.645 -4.222 1.00 0.00 C ATOM 582 O VAL A 39 75.383 -2.456 -3.297 1.00 0.00 O ATOM 583 CB VAL A 39 75.366 -3.909 -6.278 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.797 -3.753 -7.736 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.482 -4.607 -5.491 1.00 0.00 C ATOM 0 H VAL A 39 77.124 -2.140 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 39 74.292 -2.009 -6.218 1.00 0.00 H new ATOM 0 HB VAL A 39 74.459 -4.511 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.997 -4.736 -8.164 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.002 -3.266 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.701 -3.146 -7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.674 -5.589 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.390 -4.006 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.176 -4.723 -4.451 1.00 0.00 H new ATOM 595 N ARG A 40 73.355 -2.957 -4.017 1.00 0.00 N ATOM 596 CA ARG A 40 72.780 -3.009 -2.626 1.00 0.00 C ATOM 597 C ARG A 40 73.058 -1.700 -1.877 1.00 0.00 C ATOM 598 O ARG A 40 73.468 -1.700 -0.732 1.00 0.00 O ATOM 599 CB ARG A 40 73.473 -4.187 -1.935 1.00 0.00 C ATOM 600 CG ARG A 40 72.762 -5.489 -2.308 1.00 0.00 C ATOM 601 CD ARG A 40 73.304 -6.003 -3.645 1.00 0.00 C ATOM 602 NE ARG A 40 72.508 -7.237 -3.943 1.00 0.00 N ATOM 603 CZ ARG A 40 72.948 -8.167 -4.773 1.00 0.00 C ATOM 604 NH1 ARG A 40 74.105 -8.059 -5.389 1.00 0.00 N ATOM 605 NH2 ARG A 40 72.211 -9.221 -4.990 1.00 0.00 N ATOM 0 H ARG A 40 72.692 -3.180 -4.759 1.00 0.00 H new ATOM 0 HA ARG A 40 71.698 -3.136 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.520 -4.233 -2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.457 -4.049 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 40 72.917 -6.236 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 40 71.687 -5.321 -2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 40 73.184 -5.258 -4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 40 74.369 -6.228 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 40 71.601 -7.363 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 40 74.692 -7.240 -5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 40 74.416 -8.795 -6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 40 71.310 -9.318 -4.522 1.00 0.00 H new ATOM 0 HH22 ARG A 40 72.536 -9.948 -5.628 1.00 0.00 H new ATOM 619 N ALA A 41 72.832 -0.592 -2.530 1.00 0.00 N ATOM 620 CA ALA A 41 73.245 0.728 -1.956 1.00 0.00 C ATOM 621 C ALA A 41 72.392 1.111 -0.741 1.00 0.00 C ATOM 622 O ALA A 41 71.192 0.884 -0.698 1.00 0.00 O ATOM 623 CB ALA A 41 73.035 1.739 -3.084 1.00 0.00 C ATOM 0 H ALA A 41 72.377 -0.541 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 41 74.277 0.697 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 41 73.317 2.734 -2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 41 73.652 1.463 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 41 71.986 1.742 -3.380 1.00 0.00 H new ATOM 629 N PHE A 42 73.017 1.695 0.247 1.00 0.00 N ATOM 630 CA PHE A 42 72.258 2.332 1.360 1.00 0.00 C ATOM 631 C PHE A 42 72.540 3.837 1.359 1.00 0.00 C ATOM 632 O PHE A 42 73.660 4.254 1.139 1.00 0.00 O ATOM 633 CB PHE A 42 72.791 1.683 2.642 1.00 0.00 C ATOM 634 CG PHE A 42 72.042 0.437 3.074 1.00 0.00 C ATOM 635 CD1 PHE A 42 71.812 -0.645 2.154 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.562 0.339 4.423 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.102 -1.815 2.585 1.00 0.00 C ATOM 638 CE2 PHE A 42 70.854 -0.831 4.852 1.00 0.00 C ATOM 639 CZ PHE A 42 70.624 -1.908 3.933 1.00 0.00 C ATOM 0 H PHE A 42 74.032 1.758 0.330 1.00 0.00 H new ATOM 0 HA PHE A 42 71.181 2.195 1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 42 73.841 1.428 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 42 72.750 2.415 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 42 72.174 -0.577 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.735 1.149 5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 42 70.928 -2.626 1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.494 -0.902 5.868 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.090 -2.789 4.257 1.00 0.00 H new ATOM 649 N ARG A 43 71.541 4.648 1.602 1.00 0.00 N ATOM 650 CA ARG A 43 71.736 6.130 1.540 1.00 0.00 C ATOM 651 C ARG A 43 71.080 6.799 2.749 1.00 0.00 C ATOM 652 O ARG A 43 70.043 6.373 3.215 1.00 0.00 O ATOM 653 CB ARG A 43 71.049 6.568 0.246 1.00 0.00 C ATOM 654 CG ARG A 43 71.294 8.060 0.017 1.00 0.00 C ATOM 655 CD ARG A 43 70.521 8.523 -1.222 1.00 0.00 C ATOM 656 NE ARG A 43 71.083 7.732 -2.368 1.00 0.00 N ATOM 657 CZ ARG A 43 70.603 7.851 -3.595 1.00 0.00 C ATOM 658 NH1 ARG A 43 69.610 8.667 -3.880 1.00 0.00 N ATOM 659 NH2 ARG A 43 71.131 7.139 -4.552 1.00 0.00 N ATOM 0 H ARG A 43 70.596 4.347 1.841 1.00 0.00 H new ATOM 0 HA ARG A 43 72.790 6.409 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.434 5.992 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.979 6.369 0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.976 8.629 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.360 8.248 -0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 43 69.452 8.342 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 43 70.647 9.593 -1.385 1.00 0.00 H new ATOM 0 HE ARG A 43 71.854 7.087 -2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 43 69.187 9.232 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 43 69.264 8.734 -4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 43 71.902 6.503 -4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 43 70.773 7.218 -5.504 1.00 0.00 H new ATOM 673 N ASN A 44 71.683 7.846 3.264 1.00 0.00 N ATOM 674 CA ASN A 44 71.098 8.575 4.444 1.00 0.00 C ATOM 675 C ASN A 44 70.800 7.603 5.599 1.00 0.00 C ATOM 676 O ASN A 44 69.779 7.701 6.254 1.00 0.00 O ATOM 677 CB ASN A 44 69.802 9.219 3.935 1.00 0.00 C ATOM 678 CG ASN A 44 70.113 10.160 2.767 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.423 10.152 1.767 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.131 10.976 2.848 1.00 0.00 N ATOM 0 H ASN A 44 72.561 8.232 2.917 1.00 0.00 H new ATOM 0 HA ASN A 44 71.793 9.319 4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.103 8.446 3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.319 9.772 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.344 11.604 2.073 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.712 10.985 3.686 1.00 0.00 H new ATOM 687 N GLY A 45 71.689 6.673 5.844 1.00 0.00 N ATOM 688 CA GLY A 45 71.527 5.749 7.008 1.00 0.00 C ATOM 689 C GLY A 45 70.248 4.910 6.873 1.00 0.00 C ATOM 690 O GLY A 45 69.729 4.410 7.855 1.00 0.00 O ATOM 0 H GLY A 45 72.526 6.513 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.393 5.090 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.492 6.326 7.932 1.00 0.00 H new ATOM 694 N VAL A 46 69.736 4.753 5.673 1.00 0.00 N ATOM 695 CA VAL A 46 68.582 3.826 5.460 1.00 0.00 C ATOM 696 C VAL A 46 68.711 3.140 4.082 1.00 0.00 C ATOM 697 O VAL A 46 69.293 3.704 3.179 1.00 0.00 O ATOM 698 CB VAL A 46 67.338 4.726 5.536 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.073 3.934 5.180 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.204 5.253 6.964 1.00 0.00 C ATOM 0 H VAL A 46 70.069 5.228 4.834 1.00 0.00 H new ATOM 0 HA VAL A 46 68.534 3.025 6.197 1.00 0.00 H new ATOM 0 HB VAL A 46 67.450 5.547 4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.204 4.590 5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.162 3.542 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 46 65.952 3.107 5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.325 5.894 7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.098 4.415 7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.093 5.827 7.225 1.00 0.00 H new ATOM 710 N PRO A 47 68.166 1.943 3.952 1.00 0.00 N ATOM 711 CA PRO A 47 68.333 1.181 2.690 1.00 0.00 C ATOM 712 C PRO A 47 67.480 1.802 1.578 1.00 0.00 C ATOM 713 O PRO A 47 66.458 2.410 1.844 1.00 0.00 O ATOM 714 CB PRO A 47 67.837 -0.234 3.028 1.00 0.00 C ATOM 715 CG PRO A 47 67.543 -0.237 4.500 1.00 0.00 C ATOM 716 CD PRO A 47 67.361 1.192 4.925 1.00 0.00 C ATOM 0 HA PRO A 47 69.362 1.183 2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.945 -0.481 2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.592 -0.980 2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.645 -0.817 4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.359 -0.701 5.053 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.313 1.490 4.894 1.00 0.00 H new ATOM 0 HD3 PRO A 47 67.709 1.355 5.945 1.00 0.00 H new ATOM 724 N LEU A 48 67.892 1.656 0.338 1.00 0.00 N ATOM 725 CA LEU A 48 67.034 2.120 -0.797 1.00 0.00 C ATOM 726 C LEU A 48 65.873 1.143 -1.001 1.00 0.00 C ATOM 727 O LEU A 48 65.962 -0.019 -0.657 1.00 0.00 O ATOM 728 CB LEU A 48 67.947 2.136 -2.025 1.00 0.00 C ATOM 729 CG LEU A 48 69.123 3.088 -1.789 1.00 0.00 C ATOM 730 CD1 LEU A 48 70.162 2.892 -2.895 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.627 4.540 -1.808 1.00 0.00 C ATOM 0 H LEU A 48 68.782 1.237 0.066 1.00 0.00 H new ATOM 0 HA LEU A 48 66.602 3.103 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.317 1.131 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.384 2.451 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 48 69.572 2.874 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 48 71.001 3.568 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.518 1.862 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.708 3.106 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.467 5.214 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 48 68.176 4.758 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.885 4.681 -1.022 1.00 0.00 H new ATOM 743 N ARG A 49 64.782 1.611 -1.561 1.00 0.00 N ATOM 744 CA ARG A 49 63.554 0.752 -1.682 1.00 0.00 C ATOM 745 C ARG A 49 63.873 -0.564 -2.401 1.00 0.00 C ATOM 746 O ARG A 49 63.365 -1.611 -2.043 1.00 0.00 O ATOM 747 CB ARG A 49 62.560 1.578 -2.503 1.00 0.00 C ATOM 748 CG ARG A 49 61.220 0.844 -2.572 1.00 0.00 C ATOM 749 CD ARG A 49 60.242 1.642 -3.437 1.00 0.00 C ATOM 750 NE ARG A 49 58.942 0.910 -3.329 1.00 0.00 N ATOM 751 CZ ARG A 49 58.730 -0.232 -3.962 1.00 0.00 C ATOM 752 NH1 ARG A 49 59.649 -0.788 -4.722 1.00 0.00 N ATOM 753 NH2 ARG A 49 57.576 -0.825 -3.828 1.00 0.00 N ATOM 0 H ARG A 49 64.686 2.553 -1.941 1.00 0.00 H new ATOM 0 HA ARG A 49 63.156 0.485 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.426 2.560 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 49 62.949 1.741 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.361 -0.153 -2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 49 60.813 0.715 -1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.148 2.668 -3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 49 60.581 1.693 -4.472 1.00 0.00 H new ATOM 0 HE ARG A 49 58.198 1.302 -2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 49 60.557 -0.338 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 49 59.453 -1.669 -5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 49 56.853 -0.408 -3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 49 57.396 -1.706 -4.309 1.00 0.00 H new ATOM 767 N LYS A 50 64.709 -0.515 -3.410 1.00 0.00 N ATOM 768 CA LYS A 50 65.094 -1.765 -4.135 1.00 0.00 C ATOM 769 C LYS A 50 66.506 -2.197 -3.728 1.00 0.00 C ATOM 770 O LYS A 50 67.472 -1.501 -3.980 1.00 0.00 O ATOM 771 CB LYS A 50 65.052 -1.395 -5.618 1.00 0.00 C ATOM 772 CG LYS A 50 65.201 -2.659 -6.464 1.00 0.00 C ATOM 773 CD LYS A 50 65.206 -2.285 -7.948 1.00 0.00 C ATOM 774 CE LYS A 50 65.176 -3.558 -8.796 1.00 0.00 C ATOM 775 NZ LYS A 50 64.864 -3.093 -10.176 1.00 0.00 N ATOM 0 H LYS A 50 65.142 0.339 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 50 64.428 -2.597 -3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.112 -0.896 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.852 -0.692 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 50 66.126 -3.175 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 50 64.382 -3.348 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.343 -1.661 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 50 66.095 -1.700 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 50 66.133 -4.078 -8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 50 64.421 -4.256 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 64.826 -3.911 -10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 63.944 -2.608 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 65.603 -2.436 -10.496 1.00 0.00 H new ATOM 789 N GLN A 51 66.625 -3.340 -3.099 1.00 0.00 N ATOM 790 CA GLN A 51 67.977 -3.853 -2.706 1.00 0.00 C ATOM 791 C GLN A 51 68.823 -4.116 -3.954 1.00 0.00 C ATOM 792 O GLN A 51 70.023 -3.912 -3.954 1.00 0.00 O ATOM 793 CB GLN A 51 67.716 -5.159 -1.952 1.00 0.00 C ATOM 794 CG GLN A 51 69.024 -5.667 -1.342 1.00 0.00 C ATOM 795 CD GLN A 51 68.791 -7.036 -0.699 1.00 0.00 C ATOM 796 OE1 GLN A 51 68.410 -7.976 -1.368 1.00 0.00 O ATOM 797 NE2 GLN A 51 69.006 -7.189 0.579 1.00 0.00 N ATOM 0 H GLN A 51 65.844 -3.942 -2.840 1.00 0.00 H new ATOM 0 HA GLN A 51 68.523 -3.136 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 51 66.976 -4.997 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 51 67.304 -5.907 -2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 51 69.792 -5.741 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 51 69.388 -4.960 -0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 51 69.326 -6.400 1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 51 68.854 -8.098 1.016 1.00 0.00 H new ATOM 806 N ASN A 52 68.200 -4.567 -5.014 1.00 0.00 N ATOM 807 CA ASN A 52 68.962 -4.923 -6.251 1.00 0.00 C ATOM 808 C ASN A 52 69.209 -3.693 -7.141 1.00 0.00 C ATOM 809 O ASN A 52 69.781 -3.815 -8.210 1.00 0.00 O ATOM 810 CB ASN A 52 68.072 -5.934 -6.979 1.00 0.00 C ATOM 811 CG ASN A 52 67.885 -7.179 -6.107 1.00 0.00 C ATOM 812 OD1 ASN A 52 68.683 -7.452 -5.232 1.00 0.00 O ATOM 813 ND2 ASN A 52 66.852 -7.951 -6.310 1.00 0.00 N ATOM 0 H ASN A 52 67.191 -4.705 -5.076 1.00 0.00 H new ATOM 0 HA ASN A 52 69.947 -5.323 -6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 52 67.104 -5.486 -7.203 1.00 0.00 H new ATOM 0 HB3 ASN A 52 68.523 -6.210 -7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 52 66.715 -8.782 -5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 52 66.181 -7.723 -7.044 1.00 0.00 H new ATOM 820 N ALA A 53 68.789 -2.514 -6.722 1.00 0.00 N ATOM 821 CA ALA A 53 68.942 -1.309 -7.599 1.00 0.00 C ATOM 822 C ALA A 53 70.408 -0.876 -7.646 1.00 0.00 C ATOM 823 O ALA A 53 71.084 -0.832 -6.634 1.00 0.00 O ATOM 824 CB ALA A 53 68.082 -0.221 -6.952 1.00 0.00 C ATOM 0 H ALA A 53 68.351 -2.340 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 53 68.633 -1.508 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.146 0.693 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.045 -0.554 -6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.441 -0.026 -5.942 1.00 0.00 H new ATOM 830 N GLU A 54 70.902 -0.557 -8.818 1.00 0.00 N ATOM 831 CA GLU A 54 72.329 -0.134 -8.950 1.00 0.00 C ATOM 832 C GLU A 54 72.460 1.390 -8.809 1.00 0.00 C ATOM 833 O GLU A 54 71.657 2.141 -9.333 1.00 0.00 O ATOM 834 CB GLU A 54 72.774 -0.615 -10.348 1.00 0.00 C ATOM 835 CG GLU A 54 72.039 0.151 -11.463 1.00 0.00 C ATOM 836 CD GLU A 54 72.495 -0.376 -12.825 1.00 0.00 C ATOM 837 OE1 GLU A 54 72.469 -1.582 -13.011 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.863 0.435 -13.659 1.00 0.00 O ATOM 0 H GLU A 54 70.375 -0.572 -9.691 1.00 0.00 H new ATOM 0 HA GLU A 54 72.956 -0.563 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.850 -0.477 -10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.578 -1.683 -10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 54 70.961 0.028 -11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.247 1.218 -11.385 1.00 0.00 H new ATOM 845 N VAL A 55 73.468 1.843 -8.106 1.00 0.00 N ATOM 846 CA VAL A 55 73.729 3.313 -8.008 1.00 0.00 C ATOM 847 C VAL A 55 74.946 3.669 -8.862 1.00 0.00 C ATOM 848 O VAL A 55 76.021 3.132 -8.667 1.00 0.00 O ATOM 849 CB VAL A 55 74.018 3.568 -6.522 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.333 5.052 -6.290 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.789 3.184 -5.694 1.00 0.00 C ATOM 0 H VAL A 55 74.125 1.255 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 55 72.893 3.915 -8.363 1.00 0.00 H new ATOM 0 HB VAL A 55 74.876 2.967 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.536 5.220 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.207 5.334 -6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.480 5.657 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 55 72.991 3.364 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 55 71.936 3.786 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.564 2.128 -5.846 1.00 0.00 H new ATOM 861 N VAL A 56 74.783 4.566 -9.804 1.00 0.00 N ATOM 862 CA VAL A 56 75.947 5.002 -10.635 1.00 0.00 C ATOM 863 C VAL A 56 76.109 6.516 -10.532 1.00 0.00 C ATOM 864 O VAL A 56 75.268 7.272 -10.986 1.00 0.00 O ATOM 865 CB VAL A 56 75.631 4.590 -12.075 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.845 4.900 -12.949 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.336 3.087 -12.144 1.00 0.00 C ATOM 0 H VAL A 56 73.896 5.014 -10.033 1.00 0.00 H new ATOM 0 HA VAL A 56 76.878 4.545 -10.299 1.00 0.00 H new ATOM 0 HB VAL A 56 74.757 5.139 -12.425 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.635 4.612 -13.979 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.060 5.968 -12.908 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.708 4.342 -12.585 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.113 2.807 -13.173 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.206 2.529 -11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.480 2.855 -11.511 1.00 0.00 H new ATOM 877 N LEU A 57 77.183 6.957 -9.940 1.00 0.00 N ATOM 878 CA LEU A 57 77.359 8.414 -9.673 1.00 0.00 C ATOM 879 C LEU A 57 78.716 8.893 -10.197 1.00 0.00 C ATOM 880 O LEU A 57 79.732 8.260 -9.976 1.00 0.00 O ATOM 881 CB LEU A 57 77.246 8.520 -8.154 1.00 0.00 C ATOM 882 CG LEU A 57 75.759 8.527 -7.778 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.564 7.897 -6.404 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.257 9.973 -7.732 1.00 0.00 C ATOM 0 H LEU A 57 77.954 6.367 -9.627 1.00 0.00 H new ATOM 0 HA LEU A 57 76.624 9.044 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.754 7.682 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.731 9.430 -7.800 1.00 0.00 H new ATOM 0 HG LEU A 57 75.202 7.957 -8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.505 7.907 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.924 6.868 -6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.124 8.465 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.200 9.983 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.825 10.532 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.388 10.435 -8.710 1.00 0.00 H new ATOM 896 N LYS A 58 78.732 10.005 -10.889 1.00 0.00 N ATOM 897 CA LYS A 58 80.004 10.496 -11.508 1.00 0.00 C ATOM 898 C LYS A 58 80.928 11.092 -10.443 1.00 0.00 C ATOM 899 O LYS A 58 80.482 11.734 -9.511 1.00 0.00 O ATOM 900 CB LYS A 58 79.574 11.579 -12.502 1.00 0.00 C ATOM 901 CG LYS A 58 78.685 10.958 -13.581 1.00 0.00 C ATOM 902 CD LYS A 58 78.438 11.980 -14.693 1.00 0.00 C ATOM 903 CE LYS A 58 77.612 13.145 -14.142 1.00 0.00 C ATOM 904 NZ LYS A 58 77.508 14.110 -15.271 1.00 0.00 N ATOM 0 H LYS A 58 77.917 10.596 -11.053 1.00 0.00 H new ATOM 0 HA LYS A 58 80.556 9.690 -11.991 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.034 12.371 -11.982 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.451 12.038 -12.958 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.161 10.067 -13.991 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.737 10.641 -13.147 1.00 0.00 H new ATOM 0 HD2 LYS A 58 79.388 12.346 -15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 58 77.913 11.509 -15.524 1.00 0.00 H new ATOM 0 HE2 LYS A 58 76.627 12.811 -13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 58 78.097 13.599 -13.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 76.954 14.938 -14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 78.461 14.415 -15.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 77.036 13.652 -16.077 1.00 0.00 H new ATOM 918 N CYS A 59 82.215 10.881 -10.579 1.00 0.00 N ATOM 919 CA CYS A 59 83.199 11.486 -9.618 1.00 0.00 C ATOM 920 C CYS A 59 83.022 13.010 -9.540 1.00 0.00 C ATOM 921 O CYS A 59 83.245 13.616 -8.509 1.00 0.00 O ATOM 922 CB CYS A 59 84.590 11.128 -10.171 1.00 0.00 C ATOM 923 SG CYS A 59 84.796 11.776 -11.854 1.00 0.00 S ATOM 0 H CYS A 59 82.631 10.313 -11.317 1.00 0.00 H new ATOM 0 HA CYS A 59 83.056 11.105 -8.607 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.362 11.539 -9.521 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.718 10.046 -10.174 1.00 0.00 H new ATOM 0 HG CYS A 59 85.977 11.463 -12.298 1.00 0.00 H new ATOM 929 N THR A 60 82.623 13.623 -10.628 1.00 0.00 N ATOM 930 CA THR A 60 82.436 15.111 -10.635 1.00 0.00 C ATOM 931 C THR A 60 81.314 15.503 -9.669 1.00 0.00 C ATOM 932 O THR A 60 81.301 16.598 -9.137 1.00 0.00 O ATOM 933 CB THR A 60 82.054 15.478 -12.075 1.00 0.00 C ATOM 934 OG1 THR A 60 80.821 14.855 -12.414 1.00 0.00 O ATOM 935 CG2 THR A 60 83.151 15.019 -13.041 1.00 0.00 C ATOM 0 H THR A 60 82.418 13.158 -11.513 1.00 0.00 H new ATOM 0 HA THR A 60 83.338 15.634 -10.316 1.00 0.00 H new ATOM 0 HB THR A 60 81.945 16.560 -12.152 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.577 15.091 -13.333 1.00 0.00 H new ATOM 0 HG21 THR A 60 82.872 15.283 -14.061 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.090 15.508 -12.784 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.272 13.938 -12.967 1.00 0.00 H new ATOM 943 N ASP A 61 80.375 14.617 -9.445 1.00 0.00 N ATOM 944 CA ASP A 61 79.281 14.901 -8.468 1.00 0.00 C ATOM 945 C ASP A 61 79.697 14.452 -7.062 1.00 0.00 C ATOM 946 O ASP A 61 79.200 14.956 -6.072 1.00 0.00 O ATOM 947 CB ASP A 61 78.079 14.093 -8.962 1.00 0.00 C ATOM 948 CG ASP A 61 77.650 14.590 -10.347 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.843 15.762 -10.626 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.133 13.786 -11.106 1.00 0.00 O ATOM 0 H ASP A 61 80.320 13.705 -9.899 1.00 0.00 H new ATOM 0 HA ASP A 61 79.052 15.965 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.336 13.035 -9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.251 14.189 -8.259 1.00 0.00 H new ATOM 955 N ILE A 62 80.605 13.509 -6.971 1.00 0.00 N ATOM 956 CA ILE A 62 81.109 13.065 -5.634 1.00 0.00 C ATOM 957 C ILE A 62 82.178 14.043 -5.133 1.00 0.00 C ATOM 958 O ILE A 62 82.953 14.575 -5.906 1.00 0.00 O ATOM 959 CB ILE A 62 81.714 11.674 -5.871 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.639 10.729 -6.418 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.250 11.113 -4.549 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.280 9.395 -6.807 1.00 0.00 C ATOM 0 H ILE A 62 81.019 13.027 -7.769 1.00 0.00 H new ATOM 0 HA ILE A 62 80.321 13.035 -4.881 1.00 0.00 H new ATOM 0 HB ILE A 62 82.528 11.758 -6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.866 10.567 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.153 11.177 -7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.679 10.126 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.018 11.779 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.435 11.035 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.515 8.723 -7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.037 9.565 -7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.745 8.945 -5.930 1.00 0.00 H new ATOM 974 N ARG A 63 82.219 14.279 -3.845 1.00 0.00 N ATOM 975 CA ARG A 63 83.215 15.236 -3.280 1.00 0.00 C ATOM 976 C ARG A 63 84.392 14.474 -2.665 1.00 0.00 C ATOM 977 O ARG A 63 85.518 14.938 -2.692 1.00 0.00 O ATOM 978 CB ARG A 63 82.455 16.016 -2.206 1.00 0.00 C ATOM 979 CG ARG A 63 83.354 17.120 -1.644 1.00 0.00 C ATOM 980 CD ARG A 63 83.518 18.228 -2.689 1.00 0.00 C ATOM 981 NE ARG A 63 84.462 19.213 -2.071 1.00 0.00 N ATOM 982 CZ ARG A 63 84.525 20.469 -2.480 1.00 0.00 C ATOM 983 NH1 ARG A 63 83.766 20.924 -3.453 1.00 0.00 N ATOM 984 NH2 ARG A 63 85.365 21.282 -1.901 1.00 0.00 N ATOM 0 H ARG A 63 81.601 13.846 -3.158 1.00 0.00 H new ATOM 0 HA ARG A 63 83.630 15.896 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.549 16.450 -2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 63 82.143 15.344 -1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.919 17.528 -0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.328 16.710 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.917 17.833 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.561 18.693 -2.923 1.00 0.00 H new ATOM 0 HE ARG A 63 85.073 18.907 -1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.104 20.302 -3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 63 83.840 21.899 -3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.961 20.946 -1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.426 22.254 -2.205 1.00 0.00 H new ATOM 998 N SER A 64 84.141 13.309 -2.111 1.00 0.00 N ATOM 999 CA SER A 64 85.254 12.507 -1.509 1.00 0.00 C ATOM 1000 C SER A 64 84.848 11.038 -1.366 1.00 0.00 C ATOM 1001 O SER A 64 83.678 10.714 -1.293 1.00 0.00 O ATOM 1002 CB SER A 64 85.499 13.133 -0.137 1.00 0.00 C ATOM 1003 OG SER A 64 84.405 12.832 0.719 1.00 0.00 O ATOM 0 H SER A 64 83.217 12.881 -2.050 1.00 0.00 H new ATOM 0 HA SER A 64 86.149 12.522 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 64 86.426 12.750 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 64 85.614 14.213 -0.233 1.00 0.00 H new ATOM 0 HG SER A 64 84.560 13.231 1.601 1.00 0.00 H new ATOM 1009 N ILE A 65 85.813 10.149 -1.324 1.00 0.00 N ATOM 1010 CA ILE A 65 85.500 8.688 -1.218 1.00 0.00 C ATOM 1011 C ILE A 65 86.493 8.013 -0.266 1.00 0.00 C ATOM 1012 O ILE A 65 87.640 8.407 -0.168 1.00 0.00 O ATOM 1013 CB ILE A 65 85.643 8.112 -2.633 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.716 8.860 -3.606 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.268 6.625 -2.612 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.925 8.347 -5.038 1.00 0.00 C ATOM 0 H ILE A 65 86.807 10.374 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 65 84.497 8.520 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 65 86.674 8.230 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.676 8.720 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.918 9.930 -3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.368 6.210 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.932 6.092 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.237 6.514 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.263 8.884 -5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.961 8.511 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.700 7.281 -5.079 1.00 0.00 H new ATOM 1028 N ASP A 66 86.051 6.996 0.434 1.00 0.00 N ATOM 1029 CA ASP A 66 86.966 6.251 1.352 1.00 0.00 C ATOM 1030 C ASP A 66 86.711 4.742 1.253 1.00 0.00 C ATOM 1031 O ASP A 66 85.581 4.300 1.318 1.00 0.00 O ATOM 1032 CB ASP A 66 86.622 6.770 2.755 1.00 0.00 C ATOM 1033 CG ASP A 66 85.151 6.488 3.085 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.879 5.430 3.628 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.324 7.334 2.787 1.00 0.00 O ATOM 0 H ASP A 66 85.092 6.649 0.408 1.00 0.00 H new ATOM 0 HA ASP A 66 88.016 6.406 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 66 87.265 6.292 3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.815 7.841 2.810 1.00 0.00 H new ATOM 1040 N LEU A 67 87.749 3.954 1.094 1.00 0.00 N ATOM 1041 CA LEU A 67 87.575 2.468 1.134 1.00 0.00 C ATOM 1042 C LEU A 67 87.418 2.004 2.586 1.00 0.00 C ATOM 1043 O LEU A 67 88.338 2.105 3.377 1.00 0.00 O ATOM 1044 CB LEU A 67 88.866 1.899 0.531 1.00 0.00 C ATOM 1045 CG LEU A 67 88.775 1.906 -1.007 1.00 0.00 C ATOM 1046 CD1 LEU A 67 90.093 2.413 -1.599 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.516 0.483 -1.517 1.00 0.00 C ATOM 0 H LEU A 67 88.705 4.275 0.939 1.00 0.00 H new ATOM 0 HA LEU A 67 86.691 2.138 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.721 2.492 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 67 89.028 0.882 0.890 1.00 0.00 H new ATOM 0 HG LEU A 67 87.958 2.560 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 67 90.026 2.417 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.286 3.425 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.907 1.758 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.452 0.492 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.333 -0.169 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.579 0.113 -1.102 1.00 0.00 H new ATOM 1059 N ILE A 68 86.261 1.499 2.938 1.00 0.00 N ATOM 1060 CA ILE A 68 86.041 1.006 4.336 1.00 0.00 C ATOM 1061 C ILE A 68 86.695 -0.367 4.510 1.00 0.00 C ATOM 1062 O ILE A 68 87.339 -0.638 5.506 1.00 0.00 O ATOM 1063 CB ILE A 68 84.517 0.908 4.500 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.885 2.286 4.270 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.178 0.432 5.915 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.359 2.158 4.271 1.00 0.00 C ATOM 0 H ILE A 68 85.457 1.406 2.317 1.00 0.00 H new ATOM 0 HA ILE A 68 86.479 1.668 5.083 1.00 0.00 H new ATOM 0 HB ILE A 68 84.126 0.197 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 68 84.202 2.978 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.225 2.699 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 68 83.096 0.364 6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.623 -0.549 6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.574 1.141 6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.912 3.138 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 68 82.050 1.481 3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 68 82.028 1.764 5.232 1.00 0.00 H new ATOM 1078 N GLU A 69 86.527 -1.229 3.541 1.00 0.00 N ATOM 1079 CA GLU A 69 87.110 -2.600 3.627 1.00 0.00 C ATOM 1080 C GLU A 69 87.734 -2.987 2.277 1.00 0.00 C ATOM 1081 O GLU A 69 87.047 -3.509 1.420 1.00 0.00 O ATOM 1082 CB GLU A 69 85.929 -3.514 3.957 1.00 0.00 C ATOM 1083 CG GLU A 69 85.359 -3.140 5.327 1.00 0.00 C ATOM 1084 CD GLU A 69 84.799 -4.390 6.006 1.00 0.00 C ATOM 1085 OE1 GLU A 69 83.730 -4.827 5.611 1.00 0.00 O ATOM 1086 OE2 GLU A 69 85.447 -4.890 6.910 1.00 0.00 O ATOM 0 H GLU A 69 86.005 -1.039 2.685 1.00 0.00 H new ATOM 0 HA GLU A 69 87.898 -2.672 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.158 -3.419 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.251 -4.555 3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.137 -2.694 5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 69 84.574 -2.392 5.214 1.00 0.00 H new