USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 742 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 HIS :FLIP no HD1:sc= -1.82 F(o=-2.5!,f=-0.65) USER MOD Set 1.3: A 87 TYR OH : rot -85:sc= 1.16 USER MOD Set 2.1: A 64 ASN :FLIP amide:sc= -0.0707 F(o=-1.5,f=-0.14) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= -0.0678 USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 60 ASN :FLIP amide:sc= 0.356 F(o=-1.2,f=0.13) USER MOD Set 3.2: A 72 THR OG1 : rot -79:sc= -0.229 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -31:sc= 0.0532 USER MOD Single : A 31 GLN : amide:sc= -3.36! C(o=-3.4!,f=-4.7!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0293 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -73:sc= 0.0998 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -3:sc= 0.385 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.96) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.609 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -149:sc= -0.894 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= -0.016 (180deg=-0.21) USER MOD Single : A 104 THR OG1 : rot -27:sc= -0.341 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.662 20.543 4.552 1.00 0.00 N ATOM 83 CA VAL A 9 1.563 19.105 4.332 1.00 0.00 C ATOM 84 C VAL A 9 0.202 18.575 4.766 1.00 0.00 C ATOM 85 O VAL A 9 -0.268 18.868 5.865 1.00 0.00 O ATOM 86 CB VAL A 9 2.665 18.345 5.094 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.445 16.844 4.992 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.039 18.727 4.565 1.00 0.00 C ATOM 0 HA VAL A 9 1.689 18.938 3.262 1.00 0.00 H new ATOM 0 HB VAL A 9 2.615 18.626 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.233 16.323 5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.477 16.588 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.468 16.543 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.805 18.181 5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.104 18.476 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.194 19.798 4.694 1.00 0.00 H new ATOM 98 N ASP A 10 -0.427 17.794 3.894 1.00 0.00 N ATOM 99 CA ASP A 10 -1.736 17.221 4.188 1.00 0.00 C ATOM 100 C ASP A 10 -1.757 15.727 3.875 1.00 0.00 C ATOM 101 O ASP A 10 -1.941 15.310 2.732 1.00 0.00 O ATOM 102 CB ASP A 10 -2.822 17.937 3.385 1.00 0.00 C ATOM 103 CG ASP A 10 -3.313 19.197 4.073 1.00 0.00 C ATOM 104 OD1 ASP A 10 -3.366 19.210 5.320 1.00 0.00 O ATOM 105 OD2 ASP A 10 -3.645 20.169 3.362 1.00 0.00 O ATOM 0 H ASP A 10 -0.052 17.543 2.979 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.934 17.355 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.433 18.192 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.662 17.260 3.230 1.00 0.00 H new ATOM 110 N PRO A 11 -1.563 14.902 4.915 1.00 0.00 N ATOM 111 CA PRO A 11 -1.555 13.443 4.776 1.00 0.00 C ATOM 112 C PRO A 11 -2.939 12.882 4.463 1.00 0.00 C ATOM 113 O PRO A 11 -3.104 11.676 4.282 1.00 0.00 O ATOM 114 CB PRO A 11 -1.081 12.958 6.148 1.00 0.00 C ATOM 115 CG PRO A 11 -1.459 14.051 7.088 1.00 0.00 C ATOM 116 CD PRO A 11 -1.338 15.330 6.306 1.00 0.00 C ATOM 0 HA PRO A 11 -0.922 13.117 3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.559 12.017 6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.005 12.783 6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.475 13.914 7.457 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.803 14.062 7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.076 16.067 6.624 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.356 15.787 6.432 1.00 0.00 H new ATOM 124 N SER A 12 -3.929 13.766 4.400 1.00 0.00 N ATOM 125 CA SER A 12 -5.299 13.359 4.111 1.00 0.00 C ATOM 126 C SER A 12 -5.654 13.638 2.654 1.00 0.00 C ATOM 127 O SER A 12 -6.824 13.608 2.269 1.00 0.00 O ATOM 128 CB SER A 12 -6.277 14.090 5.034 1.00 0.00 C ATOM 129 OG SER A 12 -5.881 13.975 6.389 1.00 0.00 O ATOM 0 H SER A 12 -3.808 14.768 4.545 1.00 0.00 H new ATOM 0 HA SER A 12 -5.377 12.286 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.328 15.142 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.278 13.678 4.908 1.00 0.00 H new ATOM 0 HG SER A 12 -6.521 14.452 6.958 1.00 0.00 H new ATOM 135 N LYS A 13 -4.634 13.908 1.845 1.00 0.00 N ATOM 136 CA LYS A 13 -4.835 14.191 0.429 1.00 0.00 C ATOM 137 C LYS A 13 -4.137 13.149 -0.438 1.00 0.00 C ATOM 138 O LYS A 13 -4.313 13.121 -1.657 1.00 0.00 O ATOM 139 CB LYS A 13 -4.313 15.588 0.088 1.00 0.00 C ATOM 140 CG LYS A 13 -4.824 16.673 1.019 1.00 0.00 C ATOM 141 CD LYS A 13 -6.120 17.280 0.509 1.00 0.00 C ATOM 142 CE LYS A 13 -7.331 16.492 0.985 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.603 17.221 0.729 1.00 0.00 N ATOM 0 H LYS A 13 -3.660 13.937 2.146 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.905 14.150 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.224 15.577 0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.599 15.834 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.983 16.255 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.070 17.454 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.199 18.312 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.107 17.306 -0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.358 15.527 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.236 16.290 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.404 16.651 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.589 18.131 1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.706 17.391 -0.292 1.00 0.00 H new ATOM 157 N VAL A 14 -3.344 12.292 0.197 1.00 0.00 N ATOM 158 CA VAL A 14 -2.620 11.246 -0.516 1.00 0.00 C ATOM 159 C VAL A 14 -3.497 10.017 -0.727 1.00 0.00 C ATOM 160 O VAL A 14 -4.151 9.541 0.200 1.00 0.00 O ATOM 161 CB VAL A 14 -1.344 10.830 0.240 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.637 10.650 1.722 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.765 9.556 -0.356 1.00 0.00 C ATOM 0 H VAL A 14 -3.186 12.301 1.205 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.340 11.659 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.604 11.623 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.724 10.356 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.004 11.589 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.393 9.876 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.136 9.276 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.499 8.753 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.517 9.725 -1.404 1.00 0.00 H new ATOM 173 N LYS A 15 -3.506 9.507 -1.954 1.00 0.00 N ATOM 174 CA LYS A 15 -4.301 8.331 -2.288 1.00 0.00 C ATOM 175 C LYS A 15 -3.435 7.256 -2.938 1.00 0.00 C ATOM 176 O LYS A 15 -2.284 7.506 -3.296 1.00 0.00 O ATOM 177 CB LYS A 15 -5.447 8.715 -3.227 1.00 0.00 C ATOM 178 CG LYS A 15 -6.354 9.797 -2.668 1.00 0.00 C ATOM 179 CD LYS A 15 -7.303 10.331 -3.727 1.00 0.00 C ATOM 180 CE LYS A 15 -6.600 11.296 -4.670 1.00 0.00 C ATOM 181 NZ LYS A 15 -7.319 11.426 -5.968 1.00 0.00 N ATOM 0 H LYS A 15 -2.972 9.890 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.716 7.929 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.030 9.056 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.043 7.828 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.928 9.396 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.748 10.614 -2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.718 9.500 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.140 10.836 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.524 12.275 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.582 10.950 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.809 12.092 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.369 10.496 -6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.282 11.781 -5.798 1.00 0.00 H new ATOM 195 N ILE A 16 -3.997 6.061 -3.089 1.00 0.00 N ATOM 196 CA ILE A 16 -3.277 4.951 -3.699 1.00 0.00 C ATOM 197 C ILE A 16 -4.218 4.061 -4.504 1.00 0.00 C ATOM 198 O ILE A 16 -5.299 3.700 -4.037 1.00 0.00 O ATOM 199 CB ILE A 16 -2.562 4.094 -2.637 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.581 3.469 -1.683 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.554 4.935 -1.869 1.00 0.00 C ATOM 202 CD1 ILE A 16 -2.960 2.562 -0.645 1.00 0.00 C ATOM 0 H ILE A 16 -4.948 5.837 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.533 5.386 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.025 3.290 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.129 4.264 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.308 2.900 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.057 4.316 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.812 5.335 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.069 5.758 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.741 2.154 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.436 1.746 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.254 3.131 -0.040 1.00 0.00 H new ATOM 214 N ALA A 17 -3.800 3.710 -5.715 1.00 0.00 N ATOM 215 CA ALA A 17 -4.604 2.860 -6.584 1.00 0.00 C ATOM 216 C ALA A 17 -3.727 1.878 -7.355 1.00 0.00 C ATOM 217 O ALA A 17 -2.596 2.196 -7.719 1.00 0.00 O ATOM 218 CB ALA A 17 -5.420 3.709 -7.547 1.00 0.00 C ATOM 0 H ALA A 17 -2.909 4.001 -6.117 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.286 2.285 -5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.015 3.060 -8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.081 4.366 -6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.749 4.310 -8.160 1.00 0.00 H new ATOM 224 N GLY A 18 -4.258 0.684 -7.601 1.00 0.00 N ATOM 225 CA GLY A 18 -3.509 -0.325 -8.326 1.00 0.00 C ATOM 226 C GLY A 18 -4.048 -1.723 -8.098 1.00 0.00 C ATOM 227 O GLY A 18 -4.924 -1.945 -7.261 1.00 0.00 O ATOM 0 H GLY A 18 -5.193 0.398 -7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.537 -0.098 -9.392 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.464 -0.287 -8.019 1.00 0.00 H new ATOM 231 N PRO A 19 -3.520 -2.697 -8.855 1.00 0.00 N ATOM 232 CA PRO A 19 -3.940 -4.097 -8.749 1.00 0.00 C ATOM 233 C PRO A 19 -3.494 -4.739 -7.440 1.00 0.00 C ATOM 234 O PRO A 19 -4.186 -5.594 -6.889 1.00 0.00 O ATOM 235 CB PRO A 19 -3.245 -4.767 -9.937 1.00 0.00 C ATOM 236 CG PRO A 19 -2.058 -3.909 -10.213 1.00 0.00 C ATOM 237 CD PRO A 19 -2.473 -2.505 -9.872 1.00 0.00 C ATOM 0 HA PRO A 19 -5.025 -4.198 -8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.949 -5.788 -9.698 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.905 -4.821 -10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.204 -4.220 -9.612 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.757 -3.984 -11.258 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.638 -1.922 -9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.853 -1.975 -10.745 1.00 0.00 H new ATOM 245 N GLY A 20 -2.333 -4.320 -6.946 1.00 0.00 N ATOM 246 CA GLY A 20 -1.815 -4.865 -5.705 1.00 0.00 C ATOM 247 C GLY A 20 -2.775 -4.684 -4.547 1.00 0.00 C ATOM 248 O GLY A 20 -2.960 -5.592 -3.735 1.00 0.00 O ATOM 0 H GLY A 20 -1.742 -3.613 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.606 -5.927 -5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.868 -4.381 -5.467 1.00 0.00 H new ATOM 252 N LEU A 21 -3.386 -3.508 -4.466 1.00 0.00 N ATOM 253 CA LEU A 21 -4.333 -3.209 -3.397 1.00 0.00 C ATOM 254 C LEU A 21 -5.704 -3.805 -3.701 1.00 0.00 C ATOM 255 O LEU A 21 -6.482 -4.090 -2.792 1.00 0.00 O ATOM 256 CB LEU A 21 -4.453 -1.696 -3.204 1.00 0.00 C ATOM 257 CG LEU A 21 -3.146 -0.947 -2.942 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.253 0.494 -3.415 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.788 -0.999 -1.464 1.00 0.00 C ATOM 0 H LEU A 21 -3.243 -2.745 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.958 -3.658 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.919 -1.272 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.129 -1.509 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.351 -1.435 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.314 1.012 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.462 0.511 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.060 0.994 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.855 -0.461 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.584 -0.536 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.668 -2.037 -1.155 1.00 0.00 H new ATOM 271 N GLY A 22 -5.991 -3.991 -4.985 1.00 0.00 N ATOM 272 CA GLY A 22 -7.268 -4.554 -5.385 1.00 0.00 C ATOM 273 C GLY A 22 -7.589 -5.840 -4.652 1.00 0.00 C ATOM 274 O GLY A 22 -6.782 -6.333 -3.864 1.00 0.00 O ATOM 0 H GLY A 22 -5.363 -3.762 -5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.057 -3.826 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.258 -4.744 -6.458 1.00 0.00 H new ATOM 278 N SER A 23 -8.774 -6.387 -4.908 1.00 0.00 N ATOM 279 CA SER A 23 -9.203 -7.621 -4.263 1.00 0.00 C ATOM 280 C SER A 23 -8.774 -8.838 -5.076 1.00 0.00 C ATOM 281 O SER A 23 -8.764 -9.962 -4.576 1.00 0.00 O ATOM 282 CB SER A 23 -10.722 -7.625 -4.081 1.00 0.00 C ATOM 283 OG SER A 23 -11.134 -8.696 -3.249 1.00 0.00 O ATOM 0 H SER A 23 -9.454 -5.993 -5.559 1.00 0.00 H new ATOM 0 HA SER A 23 -8.726 -7.674 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.042 -6.678 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.208 -7.708 -5.053 1.00 0.00 H new ATOM 0 HG SER A 23 -10.526 -9.455 -3.368 1.00 0.00 H new ATOM 289 N GLY A 24 -8.419 -8.604 -6.337 1.00 0.00 N ATOM 290 CA GLY A 24 -7.994 -9.689 -7.201 1.00 0.00 C ATOM 291 C GLY A 24 -6.516 -9.996 -7.062 1.00 0.00 C ATOM 292 O GLY A 24 -5.804 -10.123 -8.059 1.00 0.00 O ATOM 0 H GLY A 24 -8.419 -7.683 -6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.571 -10.583 -6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.212 -9.431 -8.237 1.00 0.00 H new ATOM 296 N VAL A 25 -6.052 -10.115 -5.823 1.00 0.00 N ATOM 297 CA VAL A 25 -4.648 -10.408 -5.557 1.00 0.00 C ATOM 298 C VAL A 25 -4.444 -11.886 -5.245 1.00 0.00 C ATOM 299 O VAL A 25 -5.268 -12.508 -4.574 1.00 0.00 O ATOM 300 CB VAL A 25 -4.112 -9.569 -4.382 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.650 -9.894 -4.115 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.294 -8.084 -4.661 1.00 0.00 C ATOM 0 H VAL A 25 -6.627 -10.013 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.095 -10.150 -6.460 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.684 -9.821 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.290 -9.291 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.552 -10.951 -3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.060 -9.673 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.910 -7.506 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.749 -7.814 -5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.353 -7.866 -4.797 1.00 0.00 H new ATOM 312 N ARG A 26 -3.343 -12.442 -5.738 1.00 0.00 N ATOM 313 CA ARG A 26 -3.031 -13.849 -5.513 1.00 0.00 C ATOM 314 C ARG A 26 -1.731 -13.999 -4.727 1.00 0.00 C ATOM 315 O ARG A 26 -0.846 -13.148 -4.805 1.00 0.00 O ATOM 316 CB ARG A 26 -2.921 -14.589 -6.847 1.00 0.00 C ATOM 317 CG ARG A 26 -4.234 -14.668 -7.609 1.00 0.00 C ATOM 318 CD ARG A 26 -4.114 -15.563 -8.833 1.00 0.00 C ATOM 319 NE ARG A 26 -5.400 -15.759 -9.496 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.525 -16.074 -10.780 1.00 0.00 C ATOM 321 NH1 ARG A 26 -4.447 -16.231 -11.535 1.00 0.00 N ATOM 322 NH2 ARG A 26 -6.731 -16.236 -11.311 1.00 0.00 N ATOM 0 H ARG A 26 -2.652 -11.940 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.841 -14.286 -4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.179 -14.090 -7.470 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.556 -15.599 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.015 -15.051 -6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.538 -13.668 -7.917 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.407 -15.123 -9.536 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.708 -16.530 -8.536 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.249 -15.648 -8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.519 -16.110 -11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.546 -16.473 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.563 -16.118 -10.733 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.826 -16.478 -12.297 1.00 0.00 H new ATOM 336 N ALA A 27 -1.624 -15.086 -3.971 1.00 0.00 N ATOM 337 CA ALA A 27 -0.433 -15.348 -3.173 1.00 0.00 C ATOM 338 C ALA A 27 0.747 -15.734 -4.058 1.00 0.00 C ATOM 339 O ALA A 27 0.566 -16.275 -5.149 1.00 0.00 O ATOM 340 CB ALA A 27 -0.711 -16.443 -2.154 1.00 0.00 C ATOM 0 H ALA A 27 -2.348 -15.800 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.172 -14.432 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.187 -16.628 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.519 -16.129 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.000 -17.357 -2.672 1.00 0.00 H new ATOM 346 N ARG A 28 1.955 -15.452 -3.583 1.00 0.00 N ATOM 347 CA ARG A 28 3.165 -15.768 -4.333 1.00 0.00 C ATOM 348 C ARG A 28 3.121 -15.144 -5.724 1.00 0.00 C ATOM 349 O ARG A 28 3.529 -15.763 -6.707 1.00 0.00 O ATOM 350 CB ARG A 28 3.338 -17.283 -4.447 1.00 0.00 C ATOM 351 CG ARG A 28 3.415 -17.990 -3.103 1.00 0.00 C ATOM 352 CD ARG A 28 4.232 -19.270 -3.193 1.00 0.00 C ATOM 353 NE ARG A 28 4.702 -19.712 -1.883 1.00 0.00 N ATOM 354 CZ ARG A 28 5.444 -20.798 -1.697 1.00 0.00 C ATOM 355 NH1 ARG A 28 5.799 -21.548 -2.731 1.00 0.00 N ATOM 356 NH2 ARG A 28 5.835 -21.135 -0.474 1.00 0.00 N ATOM 0 H ARG A 28 2.123 -15.005 -2.682 1.00 0.00 H new ATOM 0 HA ARG A 28 4.016 -15.351 -3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.504 -17.694 -5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.246 -17.495 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.861 -17.323 -2.365 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.409 -18.223 -2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.626 -20.056 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.087 -19.109 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 28 4.447 -19.157 -1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.502 -21.292 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.369 -22.381 -2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.566 -20.560 0.324 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.405 -21.969 -0.332 1.00 0.00 H new ATOM 370 N VAL A 29 2.621 -13.914 -5.800 1.00 0.00 N ATOM 371 CA VAL A 29 2.523 -13.206 -7.071 1.00 0.00 C ATOM 372 C VAL A 29 2.997 -11.763 -6.933 1.00 0.00 C ATOM 373 O VAL A 29 2.785 -11.124 -5.903 1.00 0.00 O ATOM 374 CB VAL A 29 1.080 -13.211 -7.607 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.934 -12.233 -8.762 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.674 -14.615 -8.032 1.00 0.00 C ATOM 0 H VAL A 29 2.278 -13.388 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 29 3.166 -13.732 -7.777 1.00 0.00 H new ATOM 0 HB VAL A 29 0.414 -12.891 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.093 -12.251 -9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.180 -11.227 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.610 -12.518 -9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.349 -14.600 -8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.344 -14.966 -8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.736 -15.286 -7.176 1.00 0.00 H new ATOM 386 N LEU A 30 3.640 -11.256 -7.980 1.00 0.00 N ATOM 387 CA LEU A 30 4.145 -9.887 -7.977 1.00 0.00 C ATOM 388 C LEU A 30 2.997 -8.884 -7.941 1.00 0.00 C ATOM 389 O LEU A 30 2.207 -8.797 -8.880 1.00 0.00 O ATOM 390 CB LEU A 30 5.014 -9.641 -9.211 1.00 0.00 C ATOM 391 CG LEU A 30 5.792 -8.325 -9.233 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.024 -8.418 -8.346 1.00 0.00 C ATOM 393 CD2 LEU A 30 6.184 -7.961 -10.658 1.00 0.00 C ATOM 0 H LEU A 30 3.824 -11.772 -8.841 1.00 0.00 H new ATOM 0 HA LEU A 30 4.750 -9.751 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.726 -10.462 -9.299 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.375 -9.677 -10.093 1.00 0.00 H new ATOM 0 HG LEU A 30 5.148 -7.537 -8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.565 -7.472 -8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.719 -8.631 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.672 -9.217 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.737 -7.022 -10.655 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.810 -8.749 -11.076 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.286 -7.851 -11.266 1.00 0.00 H new ATOM 405 N GLN A 31 2.913 -8.127 -6.851 1.00 0.00 N ATOM 406 CA GLN A 31 1.862 -7.128 -6.695 1.00 0.00 C ATOM 407 C GLN A 31 2.458 -5.735 -6.522 1.00 0.00 C ATOM 408 O GLN A 31 3.309 -5.515 -5.660 1.00 0.00 O ATOM 409 CB GLN A 31 0.980 -7.471 -5.494 1.00 0.00 C ATOM 410 CG GLN A 31 0.422 -8.885 -5.533 1.00 0.00 C ATOM 411 CD GLN A 31 -0.537 -9.103 -6.686 1.00 0.00 C ATOM 412 OE1 GLN A 31 -0.922 -8.158 -7.376 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.930 -10.353 -6.902 1.00 0.00 N ATOM 0 H GLN A 31 3.559 -8.186 -6.064 1.00 0.00 H new ATOM 0 HA GLN A 31 1.252 -7.133 -7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.560 -7.343 -4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.152 -6.764 -5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.246 -9.594 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.091 -9.095 -4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.586 -11.106 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.576 -10.560 -7.664 1.00 0.00 H new ATOM 422 N SER A 32 2.005 -4.797 -7.348 1.00 0.00 N ATOM 423 CA SER A 32 2.496 -3.425 -7.289 1.00 0.00 C ATOM 424 C SER A 32 1.362 -2.432 -7.526 1.00 0.00 C ATOM 425 O SER A 32 0.405 -2.724 -8.244 1.00 0.00 O ATOM 426 CB SER A 32 3.601 -3.212 -8.324 1.00 0.00 C ATOM 427 OG SER A 32 4.014 -1.857 -8.358 1.00 0.00 O ATOM 0 H SER A 32 1.299 -4.962 -8.066 1.00 0.00 H new ATOM 0 HA SER A 32 2.904 -3.253 -6.293 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.453 -3.849 -8.087 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.243 -3.511 -9.309 1.00 0.00 H new ATOM 0 HG SER A 32 4.722 -1.748 -9.026 1.00 0.00 H new ATOM 433 N PHE A 33 1.477 -1.255 -6.919 1.00 0.00 N ATOM 434 CA PHE A 33 0.463 -0.218 -7.062 1.00 0.00 C ATOM 435 C PHE A 33 1.105 1.164 -7.139 1.00 0.00 C ATOM 436 O PHE A 33 2.322 1.304 -7.017 1.00 0.00 O ATOM 437 CB PHE A 33 -0.521 -0.272 -5.892 1.00 0.00 C ATOM 438 CG PHE A 33 0.149 -0.297 -4.547 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.856 -1.414 -4.131 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.070 0.795 -3.698 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.473 -1.440 -2.895 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.686 0.775 -2.461 1.00 0.00 C ATOM 443 CZ PHE A 33 1.388 -0.345 -2.059 1.00 0.00 C ATOM 0 H PHE A 33 2.263 -0.996 -6.323 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.078 -0.400 -7.991 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.183 0.593 -5.944 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.147 -1.159 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.925 -2.274 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.479 1.672 -4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.021 -2.317 -2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.619 1.634 -1.809 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.869 -0.364 -1.092 1.00 0.00 H new ATOM 453 N THR A 34 0.278 2.184 -7.342 1.00 0.00 N ATOM 454 CA THR A 34 0.763 3.555 -7.438 1.00 0.00 C ATOM 455 C THR A 34 0.258 4.400 -6.274 1.00 0.00 C ATOM 456 O THR A 34 -0.911 4.314 -5.893 1.00 0.00 O ATOM 457 CB THR A 34 0.330 4.214 -8.761 1.00 0.00 C ATOM 458 OG1 THR A 34 0.799 3.440 -9.870 1.00 0.00 O ATOM 459 CG2 THR A 34 0.870 5.632 -8.862 1.00 0.00 C ATOM 0 H THR A 34 -0.732 2.086 -7.443 1.00 0.00 H new ATOM 0 HA THR A 34 1.851 3.507 -7.404 1.00 0.00 H new ATOM 0 HB THR A 34 -0.759 4.255 -8.781 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.518 3.865 -10.707 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.551 6.077 -9.805 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.488 6.227 -8.033 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.959 5.610 -8.821 1.00 0.00 H new ATOM 467 N VAL A 35 1.143 5.215 -5.711 1.00 0.00 N ATOM 468 CA VAL A 35 0.786 6.077 -4.591 1.00 0.00 C ATOM 469 C VAL A 35 0.882 7.549 -4.977 1.00 0.00 C ATOM 470 O VAL A 35 1.976 8.100 -5.095 1.00 0.00 O ATOM 471 CB VAL A 35 1.691 5.817 -3.372 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.234 6.645 -2.180 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.709 4.336 -3.028 1.00 0.00 C ATOM 0 H VAL A 35 2.114 5.297 -6.013 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.245 5.841 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 35 2.707 6.120 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.886 6.448 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.279 7.704 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.209 6.377 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.353 4.171 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.697 4.004 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.089 3.770 -3.878 1.00 0.00 H new ATOM 483 N ASP A 36 -0.271 8.179 -5.172 1.00 0.00 N ATOM 484 CA ASP A 36 -0.318 9.589 -5.543 1.00 0.00 C ATOM 485 C ASP A 36 -0.315 10.478 -4.304 1.00 0.00 C ATOM 486 O ASP A 36 -1.352 10.689 -3.677 1.00 0.00 O ATOM 487 CB ASP A 36 -1.560 9.874 -6.388 1.00 0.00 C ATOM 488 CG ASP A 36 -1.516 11.242 -7.039 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.999 11.344 -8.173 1.00 0.00 O ATOM 490 OD2 ASP A 36 -1.997 12.211 -6.417 1.00 0.00 O ATOM 0 H ASP A 36 -1.185 7.736 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 36 0.572 9.814 -6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.654 9.110 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.448 9.802 -5.760 1.00 0.00 H new ATOM 495 N SER A 37 0.859 10.995 -3.956 1.00 0.00 N ATOM 496 CA SER A 37 0.999 11.858 -2.789 1.00 0.00 C ATOM 497 C SER A 37 1.389 13.274 -3.202 1.00 0.00 C ATOM 498 O SER A 37 2.072 13.982 -2.463 1.00 0.00 O ATOM 499 CB SER A 37 2.045 11.288 -1.828 1.00 0.00 C ATOM 500 OG SER A 37 3.327 11.262 -2.429 1.00 0.00 O ATOM 0 H SER A 37 1.727 10.831 -4.466 1.00 0.00 H new ATOM 0 HA SER A 37 0.035 11.899 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.077 11.891 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.759 10.279 -1.530 1.00 0.00 H new ATOM 0 HG SER A 37 3.978 10.895 -1.795 1.00 0.00 H new ATOM 506 N SER A 38 0.950 13.678 -4.389 1.00 0.00 N ATOM 507 CA SER A 38 1.257 15.008 -4.905 1.00 0.00 C ATOM 508 C SER A 38 0.391 16.065 -4.230 1.00 0.00 C ATOM 509 O SER A 38 0.832 17.192 -3.997 1.00 0.00 O ATOM 510 CB SER A 38 1.047 15.051 -6.420 1.00 0.00 C ATOM 511 OG SER A 38 -0.302 14.780 -6.755 1.00 0.00 O ATOM 0 H SER A 38 0.381 13.105 -5.012 1.00 0.00 H new ATOM 0 HA SER A 38 2.302 15.225 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.330 16.032 -6.802 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.698 14.322 -6.902 1.00 0.00 H new ATOM 0 HG SER A 38 -0.489 13.828 -6.616 1.00 0.00 H new ATOM 517 N LYS A 39 -0.846 15.696 -3.916 1.00 0.00 N ATOM 518 CA LYS A 39 -1.777 16.611 -3.265 1.00 0.00 C ATOM 519 C LYS A 39 -1.450 16.757 -1.783 1.00 0.00 C ATOM 520 O LYS A 39 -1.823 17.743 -1.150 1.00 0.00 O ATOM 521 CB LYS A 39 -3.215 16.114 -3.435 1.00 0.00 C ATOM 522 CG LYS A 39 -3.701 16.138 -4.874 1.00 0.00 C ATOM 523 CD LYS A 39 -4.149 17.529 -5.288 1.00 0.00 C ATOM 524 CE LYS A 39 -4.850 17.510 -6.638 1.00 0.00 C ATOM 525 NZ LYS A 39 -5.445 18.834 -6.972 1.00 0.00 N ATOM 0 H LYS A 39 -1.228 14.769 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.678 17.588 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.286 15.095 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.878 16.729 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.902 15.800 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.529 15.438 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.822 17.935 -4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.285 18.192 -5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.138 17.226 -7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.633 16.751 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.913 18.780 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.143 19.094 -6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.695 19.553 -7.005 1.00 0.00 H new ATOM 539 N ALA A 40 -0.749 15.768 -1.236 1.00 0.00 N ATOM 540 CA ALA A 40 -0.369 15.789 0.171 1.00 0.00 C ATOM 541 C ALA A 40 0.766 16.778 0.418 1.00 0.00 C ATOM 542 O ALA A 40 0.763 17.505 1.410 1.00 0.00 O ATOM 543 CB ALA A 40 0.032 14.395 0.630 1.00 0.00 C ATOM 0 H ALA A 40 -0.433 14.943 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.232 16.115 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.313 14.425 1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.808 13.713 0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.878 14.046 0.038 1.00 0.00 H new ATOM 549 N GLY A 41 1.736 16.798 -0.491 1.00 0.00 N ATOM 550 CA GLY A 41 2.864 17.700 -0.352 1.00 0.00 C ATOM 551 C GLY A 41 4.182 17.040 -0.710 1.00 0.00 C ATOM 552 O GLY A 41 4.234 16.176 -1.586 1.00 0.00 O ATOM 0 H GLY A 41 1.761 16.206 -1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.711 18.569 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.910 18.064 0.675 1.00 0.00 H new ATOM 556 N LEU A 42 5.248 17.449 -0.032 1.00 0.00 N ATOM 557 CA LEU A 42 6.574 16.893 -0.283 1.00 0.00 C ATOM 558 C LEU A 42 7.004 15.975 0.855 1.00 0.00 C ATOM 559 O LEU A 42 8.184 15.656 0.997 1.00 0.00 O ATOM 560 CB LEU A 42 7.595 18.017 -0.462 1.00 0.00 C ATOM 561 CG LEU A 42 7.039 19.359 -0.939 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.120 19.161 -2.135 1.00 0.00 C ATOM 563 CD2 LEU A 42 6.303 20.065 0.191 1.00 0.00 C ATOM 0 H LEU A 42 5.221 18.163 0.696 1.00 0.00 H new ATOM 0 HA LEU A 42 6.527 16.305 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.103 18.174 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.350 17.685 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 42 7.875 19.987 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.734 20.127 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.678 18.700 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.289 18.515 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.914 21.018 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.477 19.442 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.990 20.241 1.018 1.00 0.00 H new ATOM 575 N ALA A 43 6.039 15.552 1.665 1.00 0.00 N ATOM 576 CA ALA A 43 6.318 14.667 2.789 1.00 0.00 C ATOM 577 C ALA A 43 6.570 13.240 2.315 1.00 0.00 C ATOM 578 O ALA A 43 6.059 12.803 1.284 1.00 0.00 O ATOM 579 CB ALA A 43 5.166 14.698 3.783 1.00 0.00 C ATOM 0 H ALA A 43 5.057 15.808 1.564 1.00 0.00 H new ATOM 0 HA ALA A 43 7.222 15.023 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.387 14.033 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.033 15.714 4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.251 14.369 3.290 1.00 0.00 H new ATOM 585 N PRO A 44 7.379 12.495 3.083 1.00 0.00 N ATOM 586 CA PRO A 44 7.718 11.106 2.761 1.00 0.00 C ATOM 587 C PRO A 44 6.530 10.165 2.929 1.00 0.00 C ATOM 588 O PRO A 44 5.508 10.536 3.508 1.00 0.00 O ATOM 589 CB PRO A 44 8.817 10.765 3.770 1.00 0.00 C ATOM 590 CG PRO A 44 8.574 11.683 4.918 1.00 0.00 C ATOM 591 CD PRO A 44 8.024 12.951 4.325 1.00 0.00 C ATOM 0 HA PRO A 44 8.025 10.993 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.761 9.721 4.079 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.808 10.918 3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.870 11.245 5.625 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.497 11.876 5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.311 13.432 4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.813 13.676 4.125 1.00 0.00 H new ATOM 599 N LEU A 45 6.670 8.946 2.420 1.00 0.00 N ATOM 600 CA LEU A 45 5.608 7.950 2.515 1.00 0.00 C ATOM 601 C LEU A 45 6.124 6.661 3.144 1.00 0.00 C ATOM 602 O LEU A 45 7.236 6.219 2.853 1.00 0.00 O ATOM 603 CB LEU A 45 5.029 7.659 1.128 1.00 0.00 C ATOM 604 CG LEU A 45 4.060 6.480 1.039 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.639 6.934 1.336 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.138 5.828 -0.334 1.00 0.00 C ATOM 0 H LEU A 45 7.509 8.623 1.937 1.00 0.00 H new ATOM 0 HA LEU A 45 4.822 8.353 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.515 8.553 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.856 7.476 0.442 1.00 0.00 H new ATOM 0 HG LEU A 45 4.347 5.741 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.963 6.082 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.594 7.354 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.341 7.692 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.442 4.991 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.877 6.559 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.152 5.467 -0.508 1.00 0.00 H new ATOM 618 N GLU A 46 5.309 6.060 4.005 1.00 0.00 N ATOM 619 CA GLU A 46 5.684 4.820 4.674 1.00 0.00 C ATOM 620 C GLU A 46 4.743 3.684 4.282 1.00 0.00 C ATOM 621 O GLU A 46 3.555 3.902 4.043 1.00 0.00 O ATOM 622 CB GLU A 46 5.668 5.009 6.192 1.00 0.00 C ATOM 623 CG GLU A 46 6.975 5.545 6.753 1.00 0.00 C ATOM 624 CD GLU A 46 7.293 6.942 6.256 1.00 0.00 C ATOM 625 OE1 GLU A 46 6.726 7.909 6.806 1.00 0.00 O ATOM 626 OE2 GLU A 46 8.107 7.068 5.319 1.00 0.00 O ATOM 0 H GLU A 46 4.385 6.412 4.256 1.00 0.00 H new ATOM 0 HA GLU A 46 6.694 4.558 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.861 5.693 6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.444 4.054 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.922 5.554 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.787 4.872 6.478 1.00 0.00 H new ATOM 633 N VAL A 47 5.283 2.472 4.217 1.00 0.00 N ATOM 634 CA VAL A 47 4.493 1.302 3.855 1.00 0.00 C ATOM 635 C VAL A 47 4.869 0.098 4.712 1.00 0.00 C ATOM 636 O VAL A 47 6.049 -0.189 4.915 1.00 0.00 O ATOM 637 CB VAL A 47 4.678 0.937 2.369 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.838 -0.280 2.010 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.322 2.121 1.484 1.00 0.00 C ATOM 0 H VAL A 47 6.265 2.275 4.410 1.00 0.00 H new ATOM 0 HA VAL A 47 3.449 1.559 4.032 1.00 0.00 H new ATOM 0 HB VAL A 47 5.726 0.688 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.981 -0.523 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.145 -1.127 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.786 -0.062 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.458 1.847 0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.283 2.402 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.970 2.964 1.726 1.00 0.00 H new ATOM 649 N ARG A 48 3.857 -0.604 5.213 1.00 0.00 N ATOM 650 CA ARG A 48 4.081 -1.776 6.050 1.00 0.00 C ATOM 651 C ARG A 48 3.073 -2.875 5.727 1.00 0.00 C ATOM 652 O ARG A 48 1.899 -2.601 5.477 1.00 0.00 O ATOM 653 CB ARG A 48 3.984 -1.399 7.529 1.00 0.00 C ATOM 654 CG ARG A 48 5.249 -0.759 8.079 1.00 0.00 C ATOM 655 CD ARG A 48 6.269 -1.808 8.494 1.00 0.00 C ATOM 656 NE ARG A 48 7.120 -1.343 9.586 1.00 0.00 N ATOM 657 CZ ARG A 48 6.754 -1.367 10.863 1.00 0.00 C ATOM 658 NH1 ARG A 48 5.561 -1.832 11.206 1.00 0.00 N ATOM 659 NH2 ARG A 48 7.584 -0.926 11.800 1.00 0.00 N ATOM 0 H ARG A 48 2.875 -0.381 5.053 1.00 0.00 H new ATOM 0 HA ARG A 48 5.083 -2.153 5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.150 -0.711 7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.758 -2.294 8.109 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.685 -0.105 7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.999 -0.134 8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.750 -2.716 8.800 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.890 -2.069 7.637 1.00 0.00 H new ATOM 0 HE ARG A 48 8.045 -0.980 9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.921 -2.173 10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.283 -1.849 12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.503 -0.568 11.540 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.303 -0.945 12.780 1.00 0.00 H new ATOM 673 N VAL A 49 3.540 -4.120 5.734 1.00 0.00 N ATOM 674 CA VAL A 49 2.679 -5.260 5.441 1.00 0.00 C ATOM 675 C VAL A 49 2.693 -6.266 6.587 1.00 0.00 C ATOM 676 O VAL A 49 3.755 -6.705 7.030 1.00 0.00 O ATOM 677 CB VAL A 49 3.109 -5.970 4.144 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.255 -7.206 3.904 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.026 -5.016 2.962 1.00 0.00 C ATOM 0 H VAL A 49 4.509 -4.364 5.939 1.00 0.00 H new ATOM 0 HA VAL A 49 1.669 -4.870 5.314 1.00 0.00 H new ATOM 0 HB VAL A 49 4.146 -6.289 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.573 -7.695 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.371 -7.896 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.209 -6.914 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.333 -5.534 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.000 -4.664 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.685 -4.165 3.135 1.00 0.00 H new ATOM 689 N LEU A 50 1.507 -6.628 7.063 1.00 0.00 N ATOM 690 CA LEU A 50 1.382 -7.585 8.158 1.00 0.00 C ATOM 691 C LEU A 50 0.478 -8.748 7.764 1.00 0.00 C ATOM 692 O LEU A 50 -0.668 -8.550 7.363 1.00 0.00 O ATOM 693 CB LEU A 50 0.826 -6.892 9.405 1.00 0.00 C ATOM 694 CG LEU A 50 1.809 -6.012 10.177 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.977 -6.840 10.690 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.305 -4.870 9.302 1.00 0.00 C ATOM 0 H LEU A 50 0.618 -6.274 6.709 1.00 0.00 H new ATOM 0 HA LEU A 50 2.374 -7.979 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.024 -6.278 9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.445 -7.657 10.082 1.00 0.00 H new ATOM 0 HG LEU A 50 1.289 -5.585 11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.666 -6.197 11.237 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.606 -7.621 11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.497 -7.296 9.848 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.004 -4.254 9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.808 -5.276 8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.459 -4.260 8.985 1.00 0.00 H new ATOM 708 N GLY A 51 1.002 -9.965 7.883 1.00 0.00 N ATOM 709 CA GLY A 51 0.229 -11.143 7.538 1.00 0.00 C ATOM 710 C GLY A 51 -0.899 -11.403 8.515 1.00 0.00 C ATOM 711 O GLY A 51 -0.969 -10.807 9.590 1.00 0.00 O ATOM 0 H GLY A 51 1.948 -10.155 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.183 -11.023 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.888 -12.011 7.510 1.00 0.00 H new ATOM 715 N PRO A 52 -1.813 -12.313 8.142 1.00 0.00 N ATOM 716 CA PRO A 52 -2.962 -12.670 8.980 1.00 0.00 C ATOM 717 C PRO A 52 -2.552 -13.448 10.225 1.00 0.00 C ATOM 718 O PRO A 52 -2.984 -13.135 11.335 1.00 0.00 O ATOM 719 CB PRO A 52 -3.813 -13.547 8.058 1.00 0.00 C ATOM 720 CG PRO A 52 -2.847 -14.116 7.077 1.00 0.00 C ATOM 721 CD PRO A 52 -1.793 -13.062 6.875 1.00 0.00 C ATOM 0 HA PRO A 52 -3.483 -11.789 9.355 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.319 -14.334 8.617 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.586 -12.963 7.559 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.408 -15.040 7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.342 -14.358 6.137 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.815 -13.503 6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.024 -12.420 6.025 1.00 0.00 H new ATOM 729 N ARG A 53 -1.715 -14.463 10.034 1.00 0.00 N ATOM 730 CA ARG A 53 -1.246 -15.286 11.143 1.00 0.00 C ATOM 731 C ARG A 53 -0.267 -14.512 12.020 1.00 0.00 C ATOM 732 O ARG A 53 -0.282 -14.635 13.244 1.00 0.00 O ATOM 733 CB ARG A 53 -0.580 -16.558 10.616 1.00 0.00 C ATOM 734 CG ARG A 53 -1.466 -17.368 9.684 1.00 0.00 C ATOM 735 CD ARG A 53 -1.088 -17.151 8.227 1.00 0.00 C ATOM 736 NE ARG A 53 -2.170 -17.524 7.319 1.00 0.00 N ATOM 737 CZ ARG A 53 -2.477 -18.781 7.021 1.00 0.00 C ATOM 738 NH1 ARG A 53 -1.790 -19.781 7.556 1.00 0.00 N ATOM 739 NH2 ARG A 53 -3.476 -19.041 6.186 1.00 0.00 N ATOM 0 H ARG A 53 -1.348 -14.735 9.122 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.110 -15.560 11.749 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.335 -16.287 10.089 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.289 -17.182 11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.382 -18.427 9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.508 -17.088 9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.829 -16.104 8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.199 -17.737 7.992 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.719 -16.779 6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.023 -19.586 8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.029 -20.745 7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.008 -18.275 5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.711 -20.007 5.957 1.00 0.00 H new ATOM 753 N GLY A 54 0.584 -13.712 11.384 1.00 0.00 N ATOM 754 CA GLY A 54 1.560 -12.930 12.121 1.00 0.00 C ATOM 755 C GLY A 54 2.908 -12.882 11.428 1.00 0.00 C ATOM 756 O GLY A 54 3.951 -12.867 12.085 1.00 0.00 O ATOM 0 H GLY A 54 0.615 -13.592 10.372 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.185 -11.915 12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.682 -13.354 13.118 1.00 0.00 H new ATOM 760 N LEU A 55 2.888 -12.860 10.101 1.00 0.00 N ATOM 761 CA LEU A 55 4.118 -12.816 9.318 1.00 0.00 C ATOM 762 C LEU A 55 4.482 -11.380 8.957 1.00 0.00 C ATOM 763 O LEU A 55 3.607 -10.529 8.790 1.00 0.00 O ATOM 764 CB LEU A 55 3.967 -13.651 8.045 1.00 0.00 C ATOM 765 CG LEU A 55 5.057 -13.467 6.989 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.264 -14.335 7.311 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.518 -13.794 5.604 1.00 0.00 C ATOM 0 H LEU A 55 2.034 -12.872 9.544 1.00 0.00 H new ATOM 0 HA LEU A 55 4.921 -13.234 9.926 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.936 -14.704 8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.005 -13.414 7.591 1.00 0.00 H new ATOM 0 HG LEU A 55 5.372 -12.424 6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.030 -14.191 6.549 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.665 -14.054 8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.964 -15.383 7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.307 -13.658 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.175 -14.828 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.685 -13.131 5.372 1.00 0.00 H new ATOM 779 N VAL A 56 5.779 -11.115 8.836 1.00 0.00 N ATOM 780 CA VAL A 56 6.260 -9.782 8.491 1.00 0.00 C ATOM 781 C VAL A 56 6.967 -9.785 7.141 1.00 0.00 C ATOM 782 O VAL A 56 8.001 -10.430 6.972 1.00 0.00 O ATOM 783 CB VAL A 56 7.224 -9.239 9.562 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.757 -7.873 9.157 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.533 -9.170 10.915 1.00 0.00 C ATOM 0 H VAL A 56 6.516 -11.807 8.972 1.00 0.00 H new ATOM 0 HA VAL A 56 5.385 -9.134 8.438 1.00 0.00 H new ATOM 0 HB VAL A 56 8.069 -9.923 9.645 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.436 -7.505 9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.291 -7.957 8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.926 -7.177 9.044 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.229 -8.784 11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.669 -8.509 10.849 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.205 -10.168 11.207 1.00 0.00 H new ATOM 795 N GLU A 57 6.401 -9.059 6.181 1.00 0.00 N ATOM 796 CA GLU A 57 6.978 -8.979 4.844 1.00 0.00 C ATOM 797 C GLU A 57 7.430 -7.556 4.532 1.00 0.00 C ATOM 798 O GLU A 57 6.759 -6.577 4.860 1.00 0.00 O ATOM 799 CB GLU A 57 5.963 -9.444 3.798 1.00 0.00 C ATOM 800 CG GLU A 57 5.531 -10.890 3.970 1.00 0.00 C ATOM 801 CD GLU A 57 6.541 -11.872 3.407 1.00 0.00 C ATOM 802 OE1 GLU A 57 6.809 -11.816 2.190 1.00 0.00 O ATOM 803 OE2 GLU A 57 7.063 -12.697 4.186 1.00 0.00 O ATOM 0 H GLU A 57 5.545 -8.519 6.304 1.00 0.00 H new ATOM 0 HA GLU A 57 7.848 -9.634 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.083 -8.802 3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.394 -9.318 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.381 -11.097 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.571 -11.039 3.477 1.00 0.00 H new ATOM 810 N PRO A 58 8.597 -7.435 3.883 1.00 0.00 N ATOM 811 CA PRO A 58 9.167 -6.137 3.511 1.00 0.00 C ATOM 812 C PRO A 58 8.371 -5.448 2.408 1.00 0.00 C ATOM 813 O PRO A 58 7.428 -6.020 1.861 1.00 0.00 O ATOM 814 CB PRO A 58 10.570 -6.493 3.014 1.00 0.00 C ATOM 815 CG PRO A 58 10.462 -7.907 2.557 1.00 0.00 C ATOM 816 CD PRO A 58 9.451 -8.559 3.459 1.00 0.00 C ATOM 0 HA PRO A 58 9.161 -5.436 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.880 -5.837 2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.310 -6.389 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.145 -7.957 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.426 -8.412 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.878 -9.323 2.934 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.927 -9.046 4.310 1.00 0.00 H new ATOM 824 N VAL A 59 8.756 -4.218 2.086 1.00 0.00 N ATOM 825 CA VAL A 59 8.078 -3.452 1.047 1.00 0.00 C ATOM 826 C VAL A 59 9.078 -2.667 0.203 1.00 0.00 C ATOM 827 O VAL A 59 10.218 -2.457 0.610 1.00 0.00 O ATOM 828 CB VAL A 59 7.053 -2.474 1.649 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.854 -3.230 2.203 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.700 -1.621 2.729 1.00 0.00 C ATOM 0 H VAL A 59 9.534 -3.730 2.530 1.00 0.00 H new ATOM 0 HA VAL A 59 7.556 -4.170 0.414 1.00 0.00 H new ATOM 0 HB VAL A 59 6.701 -1.812 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.140 -2.522 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.376 -3.793 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.185 -3.918 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.960 -0.936 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.082 -2.265 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.522 -1.050 2.298 1.00 0.00 H new ATOM 840 N ASN A 60 8.638 -2.236 -0.975 1.00 0.00 N ATOM 841 CA ASN A 60 9.494 -1.475 -1.878 1.00 0.00 C ATOM 842 C ASN A 60 8.929 -0.076 -2.111 1.00 0.00 C ATOM 843 O ASN A 60 7.722 0.098 -2.278 1.00 0.00 O ATOM 844 CB ASN A 60 9.642 -2.207 -3.213 1.00 0.00 C ATOM 845 CG ASN A 60 10.528 -1.457 -4.188 1.00 0.00 C ATOM 846 OD1 ASN A 60 9.925 -0.914 -5.238 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 11.742 -1.366 -3.998 1.00 0.00 N flip ATOM 0 H ASN A 60 7.695 -2.401 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 60 10.476 -1.379 -1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.059 -3.199 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.657 -2.350 -3.657 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.164 -1.799 -3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.325 -0.857 -4.662 1.00 0.00 H new ATOM 854 N VAL A 61 9.812 0.918 -2.123 1.00 0.00 N ATOM 855 CA VAL A 61 9.402 2.301 -2.338 1.00 0.00 C ATOM 856 C VAL A 61 10.275 2.974 -3.390 1.00 0.00 C ATOM 857 O VAL A 61 11.491 3.082 -3.227 1.00 0.00 O ATOM 858 CB VAL A 61 9.469 3.116 -1.032 1.00 0.00 C ATOM 859 CG1 VAL A 61 10.748 2.800 -0.272 1.00 0.00 C ATOM 860 CG2 VAL A 61 9.368 4.604 -1.328 1.00 0.00 C ATOM 0 H VAL A 61 10.815 0.791 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 61 8.370 2.275 -2.688 1.00 0.00 H new ATOM 0 HB VAL A 61 8.623 2.836 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.779 3.384 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.773 1.738 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.610 3.051 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.417 5.165 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 61 10.193 4.903 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.422 4.812 -1.827 1.00 0.00 H new ATOM 870 N VAL A 62 9.647 3.428 -4.470 1.00 0.00 N ATOM 871 CA VAL A 62 10.367 4.094 -5.549 1.00 0.00 C ATOM 872 C VAL A 62 9.590 5.299 -6.067 1.00 0.00 C ATOM 873 O VAL A 62 8.420 5.183 -6.436 1.00 0.00 O ATOM 874 CB VAL A 62 10.640 3.131 -6.720 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.292 3.869 -7.879 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.508 1.968 -6.262 1.00 0.00 C ATOM 0 H VAL A 62 8.642 3.347 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 62 11.318 4.429 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 62 9.688 2.730 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.477 3.172 -8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.630 4.664 -8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.237 4.301 -7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.691 1.298 -7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.458 2.349 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.997 1.424 -5.468 1.00 0.00 H new ATOM 886 N ASP A 63 10.246 6.453 -6.092 1.00 0.00 N ATOM 887 CA ASP A 63 9.616 7.680 -6.566 1.00 0.00 C ATOM 888 C ASP A 63 9.592 7.723 -8.092 1.00 0.00 C ATOM 889 O ASP A 63 10.596 7.448 -8.747 1.00 0.00 O ATOM 890 CB ASP A 63 10.356 8.902 -6.022 1.00 0.00 C ATOM 891 CG ASP A 63 9.814 10.203 -6.577 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.873 10.761 -5.973 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.330 10.666 -7.616 1.00 0.00 O ATOM 0 H ASP A 63 11.214 6.565 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 63 8.589 7.696 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.280 8.915 -4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.415 8.820 -6.266 1.00 0.00 H new ATOM 898 N ASN A 64 8.436 8.071 -8.650 1.00 0.00 N ATOM 899 CA ASN A 64 8.281 8.148 -10.098 1.00 0.00 C ATOM 900 C ASN A 64 8.953 9.401 -10.651 1.00 0.00 C ATOM 901 O ASN A 64 9.679 9.343 -11.642 1.00 0.00 O ATOM 902 CB ASN A 64 6.797 8.145 -10.473 1.00 0.00 C ATOM 903 CG ASN A 64 6.155 6.784 -10.280 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.904 6.421 -9.027 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 5.889 6.069 -11.246 1.00 0.00 N flip ATOM 0 H ASN A 64 7.595 8.304 -8.122 1.00 0.00 H new ATOM 0 HA ASN A 64 8.763 7.274 -10.537 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.270 8.882 -9.866 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.687 8.451 -11.513 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.100 6.389 -12.191 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.458 5.156 -11.101 1.00 0.00 H new ATOM 912 N GLY A 65 8.705 10.535 -10.002 1.00 0.00 N ATOM 913 CA GLY A 65 9.295 11.786 -10.442 1.00 0.00 C ATOM 914 C GLY A 65 8.252 12.797 -10.875 1.00 0.00 C ATOM 915 O GLY A 65 8.503 14.002 -10.861 1.00 0.00 O ATOM 0 H GLY A 65 8.106 10.609 -9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.891 12.207 -9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.975 11.592 -11.271 1.00 0.00 H new ATOM 919 N ASP A 66 7.081 12.306 -11.264 1.00 0.00 N ATOM 920 CA ASP A 66 5.995 13.176 -11.704 1.00 0.00 C ATOM 921 C ASP A 66 5.135 13.612 -10.522 1.00 0.00 C ATOM 922 O ASP A 66 4.768 14.780 -10.405 1.00 0.00 O ATOM 923 CB ASP A 66 5.132 12.462 -12.744 1.00 0.00 C ATOM 924 CG ASP A 66 5.833 12.320 -14.081 1.00 0.00 C ATOM 925 OD1 ASP A 66 6.669 11.403 -14.218 1.00 0.00 O ATOM 926 OD2 ASP A 66 5.546 13.128 -14.989 1.00 0.00 O ATOM 0 H ASP A 66 6.859 11.311 -11.284 1.00 0.00 H new ATOM 0 HA ASP A 66 6.434 14.065 -12.157 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.863 11.474 -12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.203 13.015 -12.881 1.00 0.00 H new ATOM 931 N GLY A 67 4.814 12.662 -9.647 1.00 0.00 N ATOM 932 CA GLY A 67 3.998 12.968 -8.488 1.00 0.00 C ATOM 933 C GLY A 67 3.379 11.728 -7.873 1.00 0.00 C ATOM 934 O GLY A 67 2.262 11.774 -7.354 1.00 0.00 O ATOM 0 H GLY A 67 5.105 11.687 -9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.609 13.475 -7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.207 13.661 -8.776 1.00 0.00 H new ATOM 938 N THR A 68 4.104 10.615 -7.929 1.00 0.00 N ATOM 939 CA THR A 68 3.618 9.357 -7.377 1.00 0.00 C ATOM 940 C THR A 68 4.773 8.478 -6.912 1.00 0.00 C ATOM 941 O THR A 68 5.940 8.838 -7.065 1.00 0.00 O ATOM 942 CB THR A 68 2.776 8.579 -8.405 1.00 0.00 C ATOM 943 OG1 THR A 68 3.595 8.194 -9.516 1.00 0.00 O ATOM 944 CG2 THR A 68 1.609 9.420 -8.897 1.00 0.00 C ATOM 0 H THR A 68 5.031 10.560 -8.352 1.00 0.00 H new ATOM 0 HA THR A 68 2.990 9.609 -6.522 1.00 0.00 H new ATOM 0 HB THR A 68 2.380 7.688 -7.918 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.054 7.698 -10.165 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.029 8.849 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.973 9.688 -8.054 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.987 10.327 -9.369 1.00 0.00 H new ATOM 952 N HIS A 69 4.441 7.323 -6.344 1.00 0.00 N ATOM 953 CA HIS A 69 5.453 6.391 -5.859 1.00 0.00 C ATOM 954 C HIS A 69 4.994 4.947 -6.041 1.00 0.00 C ATOM 955 O HIS A 69 3.907 4.569 -5.602 1.00 0.00 O ATOM 956 CB HIS A 69 5.757 6.659 -4.385 1.00 0.00 C ATOM 957 CG HIS A 69 6.105 8.086 -4.095 1.00 0.00 C ATOM 958 ND1 HIS A 69 5.368 9.217 -4.204 1.00 0.00 N flip ATOM 959 CD2 HIS A 69 7.343 8.480 -3.633 1.00 0.00 C flip ATOM 960 CE1 HIS A 69 6.167 10.263 -3.810 1.00 0.00 C flip ATOM 961 NE2 HIS A 69 7.352 9.791 -3.470 1.00 0.00 N flip ATOM 0 H HIS A 69 3.480 7.010 -6.208 1.00 0.00 H new ATOM 0 HA HIS A 69 6.361 6.542 -6.444 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.891 6.376 -3.787 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.583 6.021 -4.071 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.175 7.820 -3.435 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.873 11.302 -3.783 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.141 10.345 -3.138 1.00 0.00 H new ATOM 970 N THR A 70 5.828 4.144 -6.695 1.00 0.00 N ATOM 971 CA THR A 70 5.507 2.744 -6.938 1.00 0.00 C ATOM 972 C THR A 70 5.920 1.873 -5.757 1.00 0.00 C ATOM 973 O THR A 70 6.956 2.104 -5.134 1.00 0.00 O ATOM 974 CB THR A 70 6.198 2.222 -8.212 1.00 0.00 C ATOM 975 OG1 THR A 70 5.648 2.865 -9.366 1.00 0.00 O ATOM 976 CG2 THR A 70 6.034 0.715 -8.339 1.00 0.00 C ATOM 0 H THR A 70 6.731 4.440 -7.066 1.00 0.00 H new ATOM 0 HA THR A 70 4.427 2.686 -7.070 1.00 0.00 H new ATOM 0 HB THR A 70 7.261 2.451 -8.141 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.094 2.529 -10.171 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.530 0.370 -9.246 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.480 0.226 -7.473 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.974 0.467 -8.389 1.00 0.00 H new ATOM 984 N VAL A 71 5.102 0.869 -5.454 1.00 0.00 N ATOM 985 CA VAL A 71 5.383 -0.039 -4.347 1.00 0.00 C ATOM 986 C VAL A 71 5.212 -1.493 -4.773 1.00 0.00 C ATOM 987 O VAL A 71 4.093 -1.962 -4.986 1.00 0.00 O ATOM 988 CB VAL A 71 4.466 0.243 -3.143 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.744 -0.741 -2.017 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.641 1.677 -2.665 1.00 0.00 C ATOM 0 H VAL A 71 4.240 0.664 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 71 6.419 0.131 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 71 3.431 0.113 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.086 -0.526 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.563 -1.757 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.782 -0.647 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.985 1.859 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.677 1.837 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.386 2.363 -3.473 1.00 0.00 H new ATOM 1000 N THR A 72 6.329 -2.203 -4.896 1.00 0.00 N ATOM 1001 CA THR A 72 6.303 -3.604 -5.297 1.00 0.00 C ATOM 1002 C THR A 72 6.385 -4.524 -4.083 1.00 0.00 C ATOM 1003 O THR A 72 7.098 -4.238 -3.122 1.00 0.00 O ATOM 1004 CB THR A 72 7.462 -3.935 -6.256 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.701 -3.480 -5.704 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.239 -3.289 -7.616 1.00 0.00 C ATOM 0 H THR A 72 7.263 -1.831 -4.724 1.00 0.00 H new ATOM 0 HA THR A 72 5.357 -3.769 -5.812 1.00 0.00 H new ATOM 0 HB THR A 72 7.499 -5.017 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.786 -2.514 -5.844 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.070 -3.536 -8.277 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.309 -3.660 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.178 -2.207 -7.499 1.00 0.00 H new ATOM 1014 N TYR A 73 5.651 -5.631 -4.136 1.00 0.00 N ATOM 1015 CA TYR A 73 5.639 -6.593 -3.041 1.00 0.00 C ATOM 1016 C TYR A 73 5.112 -7.945 -3.509 1.00 0.00 C ATOM 1017 O TYR A 73 4.689 -8.097 -4.655 1.00 0.00 O ATOM 1018 CB TYR A 73 4.784 -6.071 -1.886 1.00 0.00 C ATOM 1019 CG TYR A 73 3.306 -6.336 -2.059 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.498 -5.448 -2.761 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.715 -7.472 -1.521 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.147 -5.685 -2.922 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.365 -7.718 -1.678 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.586 -6.822 -2.379 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.760 -7.062 -2.537 1.00 0.00 O ATOM 0 H TYR A 73 5.057 -5.884 -4.926 1.00 0.00 H new ATOM 0 HA TYR A 73 6.664 -6.724 -2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.121 -6.533 -0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.943 -4.997 -1.784 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.935 -4.557 -3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.322 -8.175 -0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.534 -4.985 -3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.922 -8.607 -1.254 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.173 -6.311 -3.012 1.00 0.00 H new ATOM 1035 N THR A 74 5.139 -8.926 -2.612 1.00 0.00 N ATOM 1036 CA THR A 74 4.665 -10.267 -2.931 1.00 0.00 C ATOM 1037 C THR A 74 4.119 -10.966 -1.692 1.00 0.00 C ATOM 1038 O THR A 74 4.847 -11.265 -0.746 1.00 0.00 O ATOM 1039 CB THR A 74 5.786 -11.129 -3.541 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.299 -10.502 -4.722 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.274 -12.521 -3.882 1.00 0.00 C ATOM 0 H THR A 74 5.484 -8.817 -1.658 1.00 0.00 H new ATOM 0 HA THR A 74 3.865 -10.154 -3.663 1.00 0.00 H new ATOM 0 HB THR A 74 6.584 -11.223 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.012 -11.056 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.083 -13.111 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.911 -13.007 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.460 -12.443 -4.603 1.00 0.00 H new ATOM 1049 N PRO A 75 2.804 -11.235 -1.694 1.00 0.00 N ATOM 1050 CA PRO A 75 2.131 -11.904 -0.577 1.00 0.00 C ATOM 1051 C PRO A 75 2.531 -13.370 -0.454 1.00 0.00 C ATOM 1052 O PRO A 75 1.889 -14.249 -1.031 1.00 0.00 O ATOM 1053 CB PRO A 75 0.647 -11.782 -0.932 1.00 0.00 C ATOM 1054 CG PRO A 75 0.622 -11.653 -2.416 1.00 0.00 C ATOM 1055 CD PRO A 75 1.874 -10.907 -2.787 1.00 0.00 C ATOM 0 HA PRO A 75 2.391 -11.457 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.088 -12.657 -0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.195 -10.914 -0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.596 -12.633 -2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.266 -11.114 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.261 -11.228 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.697 -9.834 -2.855 1.00 0.00 H new ATOM 1063 N SER A 76 3.594 -13.628 0.302 1.00 0.00 N ATOM 1064 CA SER A 76 4.080 -14.989 0.497 1.00 0.00 C ATOM 1065 C SER A 76 2.919 -15.978 0.557 1.00 0.00 C ATOM 1066 O SER A 76 2.895 -16.965 -0.177 1.00 0.00 O ATOM 1067 CB SER A 76 4.907 -15.078 1.782 1.00 0.00 C ATOM 1068 OG SER A 76 5.404 -16.390 1.979 1.00 0.00 O ATOM 0 H SER A 76 4.134 -12.913 0.789 1.00 0.00 H new ATOM 0 HA SER A 76 4.711 -15.248 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.738 -14.375 1.733 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.293 -14.787 2.634 1.00 0.00 H new ATOM 0 HG SER A 76 5.930 -16.420 2.805 1.00 0.00 H new ATOM 1074 N GLN A 77 1.962 -15.704 1.437 1.00 0.00 N ATOM 1075 CA GLN A 77 0.799 -16.569 1.593 1.00 0.00 C ATOM 1076 C GLN A 77 -0.493 -15.793 1.360 1.00 0.00 C ATOM 1077 O GLN A 77 -0.490 -14.563 1.324 1.00 0.00 O ATOM 1078 CB GLN A 77 0.787 -17.196 2.989 1.00 0.00 C ATOM 1079 CG GLN A 77 0.465 -16.207 4.097 1.00 0.00 C ATOM 1080 CD GLN A 77 0.802 -16.742 5.474 1.00 0.00 C ATOM 1081 OE1 GLN A 77 0.879 -17.954 5.679 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.007 -15.841 6.427 1.00 0.00 N ATOM 0 H GLN A 77 1.969 -14.891 2.052 1.00 0.00 H new ATOM 0 HA GLN A 77 0.864 -17.361 0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.055 -18.003 3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.761 -17.644 3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.017 -15.283 3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.595 -15.957 4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.933 -14.846 6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.239 -16.143 7.373 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.595 -16.520 1.203 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.893 -15.898 0.974 1.00 0.00 C ATOM 1093 C GLU A 78 -3.604 -15.616 2.294 1.00 0.00 C ATOM 1094 O GLU A 78 -3.207 -16.120 3.344 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.765 -16.796 0.093 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.112 -18.127 0.739 1.00 0.00 C ATOM 1097 CD GLU A 78 -3.094 -19.209 0.430 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -2.583 -19.232 -0.710 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -2.811 -20.030 1.326 1.00 0.00 O ATOM 0 H GLU A 78 -1.614 -17.539 1.230 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.727 -14.950 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.687 -16.268 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.247 -16.982 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.180 -17.996 1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.095 -18.449 0.394 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.657 -14.808 2.232 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.407 -14.473 3.429 1.00 0.00 C ATOM 1108 C GLY A 79 -5.617 -12.980 3.582 1.00 0.00 C ATOM 1109 O GLY A 79 -5.175 -12.181 2.756 1.00 0.00 O ATOM 0 H GLY A 79 -5.005 -14.379 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.376 -14.972 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.879 -14.854 4.303 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.310 -12.583 4.660 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.595 -11.173 4.943 1.00 0.00 C ATOM 1115 C PRO A 80 -5.344 -10.397 5.339 1.00 0.00 C ATOM 1116 O PRO A 80 -5.037 -10.260 6.524 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.578 -11.238 6.115 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.288 -12.539 6.780 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.868 -13.481 5.686 1.00 0.00 C ATOM 0 HA PRO A 80 -6.987 -10.653 4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.434 -10.402 6.800 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.611 -11.192 5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.499 -12.429 7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.168 -12.915 7.302 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.128 -14.200 6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.712 -14.054 5.303 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.627 -9.891 4.343 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.408 -9.129 4.588 1.00 0.00 C ATOM 1129 C TYR A 81 -3.734 -7.715 5.056 1.00 0.00 C ATOM 1130 O TYR A 81 -4.891 -7.295 5.040 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.552 -9.074 3.322 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.545 -10.198 3.223 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.933 -11.522 3.388 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.205 -9.935 2.965 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -1.017 -12.552 3.298 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.719 -10.958 2.873 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.307 -12.265 3.041 1.00 0.00 C ATOM 1138 OH TYR A 81 1.225 -13.287 2.950 1.00 0.00 O ATOM 0 H TYR A 81 -4.869 -9.994 3.357 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.848 -9.633 5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.205 -9.105 2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.024 -8.121 3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.969 -11.750 3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.120 -8.913 2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.336 -13.576 3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.757 -10.737 2.671 1.00 0.00 H new ATOM 0 HH TYR A 81 2.112 -12.914 2.764 1.00 0.00 H new ATOM 1148 N MET A 82 -2.705 -6.984 5.474 1.00 0.00 N ATOM 1149 CA MET A 82 -2.881 -5.616 5.945 1.00 0.00 C ATOM 1150 C MET A 82 -1.700 -4.743 5.533 1.00 0.00 C ATOM 1151 O MET A 82 -0.578 -4.936 6.003 1.00 0.00 O ATOM 1152 CB MET A 82 -3.040 -5.594 7.467 1.00 0.00 C ATOM 1153 CG MET A 82 -3.526 -4.260 8.008 1.00 0.00 C ATOM 1154 SD MET A 82 -4.376 -4.420 9.590 1.00 0.00 S ATOM 1155 CE MET A 82 -3.111 -3.836 10.715 1.00 0.00 C ATOM 0 H MET A 82 -1.741 -7.317 5.496 1.00 0.00 H new ATOM 0 HA MET A 82 -3.785 -5.214 5.487 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.742 -6.374 7.762 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.082 -5.836 7.928 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.676 -3.588 8.123 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.199 -3.802 7.283 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.487 -3.875 11.737 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.228 -4.469 10.629 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.847 -2.809 10.464 1.00 0.00 H new ATOM 1165 N VAL A 83 -1.959 -3.782 4.653 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.916 -2.879 4.178 1.00 0.00 C ATOM 1167 C VAL A 83 -1.110 -1.474 4.738 1.00 0.00 C ATOM 1168 O VAL A 83 -1.876 -0.677 4.194 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.893 -2.807 2.639 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.157 -1.814 2.167 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.642 -4.185 2.046 1.00 0.00 C ATOM 0 H VAL A 83 -2.881 -3.608 4.254 1.00 0.00 H new ATOM 0 HA VAL A 83 0.034 -3.280 4.530 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.867 -2.460 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.159 -1.777 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.073 -0.825 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.139 -2.127 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.629 -4.116 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.318 -4.563 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.435 -4.865 2.357 1.00 0.00 H new ATOM 1181 N SER A 84 -0.411 -1.176 5.828 1.00 0.00 N ATOM 1182 CA SER A 84 -0.508 0.132 6.464 1.00 0.00 C ATOM 1183 C SER A 84 0.373 1.152 5.748 1.00 0.00 C ATOM 1184 O SER A 84 1.447 0.819 5.246 1.00 0.00 O ATOM 1185 CB SER A 84 -0.102 0.038 7.936 1.00 0.00 C ATOM 1186 OG SER A 84 -0.607 -1.145 8.529 1.00 0.00 O ATOM 0 H SER A 84 0.229 -1.823 6.289 1.00 0.00 H new ATOM 0 HA SER A 84 -1.544 0.463 6.399 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.985 0.055 8.019 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.476 0.908 8.476 1.00 0.00 H new ATOM 0 HG SER A 84 -0.333 -1.183 9.469 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.091 2.397 5.702 1.00 0.00 N ATOM 1193 CA VAL A 85 0.653 3.467 5.048 1.00 0.00 C ATOM 1194 C VAL A 85 0.582 4.758 5.856 1.00 0.00 C ATOM 1195 O VAL A 85 -0.470 5.118 6.382 1.00 0.00 O ATOM 1196 CB VAL A 85 0.121 3.732 3.628 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.829 4.927 3.006 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.283 2.495 2.758 1.00 0.00 C ATOM 0 H VAL A 85 -0.979 2.689 6.110 1.00 0.00 H new ATOM 0 HA VAL A 85 1.691 3.139 4.984 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.942 3.964 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.440 5.099 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.656 5.812 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.899 4.728 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.098 2.701 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.338 2.229 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.275 1.667 3.196 1.00 0.00 H new ATOM 1208 N LYS A 86 1.711 5.453 5.949 1.00 0.00 N ATOM 1209 CA LYS A 86 1.780 6.706 6.690 1.00 0.00 C ATOM 1210 C LYS A 86 2.337 7.826 5.816 1.00 0.00 C ATOM 1211 O LYS A 86 2.828 7.580 4.715 1.00 0.00 O ATOM 1212 CB LYS A 86 2.649 6.538 7.938 1.00 0.00 C ATOM 1213 CG LYS A 86 2.223 7.420 9.100 1.00 0.00 C ATOM 1214 CD LYS A 86 2.972 7.064 10.373 1.00 0.00 C ATOM 1215 CE LYS A 86 2.341 7.720 11.591 1.00 0.00 C ATOM 1216 NZ LYS A 86 3.285 7.776 12.742 1.00 0.00 N ATOM 0 H LYS A 86 2.591 5.169 5.520 1.00 0.00 H new ATOM 0 HA LYS A 86 0.768 6.975 6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.618 5.495 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.684 6.763 7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.404 8.465 8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.151 7.313 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.978 5.982 10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.012 7.380 10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.021 8.730 11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.448 7.166 11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.818 8.230 13.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.571 6.811 13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.126 8.326 12.475 1.00 0.00 H new ATOM 1230 N TYR A 87 2.259 9.054 6.315 1.00 0.00 N ATOM 1231 CA TYR A 87 2.755 10.211 5.580 1.00 0.00 C ATOM 1232 C TYR A 87 3.116 11.348 6.531 1.00 0.00 C ATOM 1233 O TYR A 87 2.243 11.959 7.146 1.00 0.00 O ATOM 1234 CB TYR A 87 1.707 10.688 4.572 1.00 0.00 C ATOM 1235 CG TYR A 87 2.297 11.423 3.389 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.954 10.735 2.376 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.196 12.805 3.284 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.494 11.402 1.294 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.732 13.480 2.205 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.380 12.775 1.212 1.00 0.00 C ATOM 1241 OH TYR A 87 3.916 13.444 0.136 1.00 0.00 O ATOM 0 H TYR A 87 1.857 9.274 7.226 1.00 0.00 H new ATOM 0 HA TYR A 87 3.656 9.910 5.044 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.144 9.827 4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.998 11.342 5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.044 9.660 2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.690 13.361 4.059 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.003 10.852 0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.644 14.554 2.139 1.00 0.00 H new ATOM 0 HH TYR A 87 4.863 13.629 0.305 1.00 0.00 H new ATOM 1251 N ALA A 88 4.411 11.626 6.646 1.00 0.00 N ATOM 1252 CA ALA A 88 4.889 12.690 7.519 1.00 0.00 C ATOM 1253 C ALA A 88 4.524 12.413 8.973 1.00 0.00 C ATOM 1254 O ALA A 88 4.149 13.322 9.714 1.00 0.00 O ATOM 1255 CB ALA A 88 4.321 14.030 7.077 1.00 0.00 C ATOM 0 H ALA A 88 5.147 11.129 6.145 1.00 0.00 H new ATOM 0 HA ALA A 88 5.976 12.726 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.686 14.816 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.637 14.240 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.232 13.996 7.121 1.00 0.00 H new ATOM 1261 N ASP A 89 4.635 11.151 9.376 1.00 0.00 N ATOM 1262 CA ASP A 89 4.317 10.754 10.743 1.00 0.00 C ATOM 1263 C ASP A 89 2.831 10.946 11.032 1.00 0.00 C ATOM 1264 O ASP A 89 2.448 11.305 12.145 1.00 0.00 O ATOM 1265 CB ASP A 89 5.151 11.560 11.738 1.00 0.00 C ATOM 1266 CG ASP A 89 6.641 11.414 11.498 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.081 10.290 11.175 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.367 12.421 11.633 1.00 0.00 O ATOM 0 H ASP A 89 4.943 10.386 8.775 1.00 0.00 H new ATOM 0 HA ASP A 89 4.557 9.697 10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.876 12.613 11.669 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.916 11.235 12.752 1.00 0.00 H new ATOM 1273 N GLU A 90 2.001 10.703 10.023 1.00 0.00 N ATOM 1274 CA GLU A 90 0.557 10.851 10.170 1.00 0.00 C ATOM 1275 C GLU A 90 -0.185 9.809 9.337 1.00 0.00 C ATOM 1276 O GLU A 90 -0.265 9.921 8.115 1.00 0.00 O ATOM 1277 CB GLU A 90 0.122 12.257 9.753 1.00 0.00 C ATOM 1278 CG GLU A 90 0.673 13.356 10.647 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.086 14.661 10.504 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.235 14.735 10.986 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.470 15.608 9.909 1.00 0.00 O ATOM 0 H GLU A 90 2.303 10.403 9.096 1.00 0.00 H new ATOM 0 HA GLU A 90 0.307 10.697 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.444 12.439 8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.967 12.308 9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.632 13.028 11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.723 13.523 10.406 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.723 8.797 10.010 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.456 7.735 9.332 1.00 0.00 C ATOM 1290 C GLU A 91 -2.560 8.312 8.450 1.00 0.00 C ATOM 1291 O GLU A 91 -3.481 8.965 8.941 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.057 6.767 10.353 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.172 5.570 10.653 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.423 4.988 12.031 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -2.595 4.975 12.465 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -0.450 4.548 12.677 1.00 0.00 O ATOM 0 H GLU A 91 -0.665 8.690 11.023 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.755 7.193 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.251 7.306 11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.019 6.413 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.342 4.800 9.901 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.126 5.867 10.573 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.457 8.067 7.149 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.447 8.562 6.199 1.00 0.00 C ATOM 1305 C ILE A 92 -4.846 8.073 6.557 1.00 0.00 C ATOM 1306 O ILE A 92 -5.023 7.026 7.181 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.114 8.125 4.760 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.090 6.598 4.661 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.779 8.710 4.324 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.987 6.087 3.241 1.00 0.00 C ATOM 0 H ILE A 92 -1.699 7.529 6.728 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.421 9.650 6.254 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.889 8.502 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.247 6.218 5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.995 6.198 5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.558 8.392 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.829 9.798 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.992 8.359 4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.975 4.997 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.843 6.438 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.068 6.458 2.787 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.865 8.845 6.152 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.267 8.508 6.417 1.00 0.00 C ATOM 1324 C PRO A 93 -7.735 7.300 5.613 1.00 0.00 C ATOM 1325 O PRO A 93 -8.912 6.940 5.644 1.00 0.00 O ATOM 1326 CB PRO A 93 -8.022 9.766 5.980 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.135 10.410 4.971 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.727 10.106 5.404 1.00 0.00 C ATOM 0 HA PRO A 93 -7.431 8.236 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.993 9.516 5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.208 10.430 6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.330 10.018 3.973 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.307 11.486 4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.059 9.996 4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.318 10.901 6.028 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.806 6.678 4.893 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.125 5.511 4.080 1.00 0.00 C ATOM 1338 C ARG A 94 -6.341 4.290 4.551 1.00 0.00 C ATOM 1339 O ARG A 94 -6.382 3.233 3.922 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.818 5.790 2.607 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.683 6.883 2.001 1.00 0.00 C ATOM 1342 CD ARG A 94 -7.197 7.273 0.615 1.00 0.00 C ATOM 1343 NE ARG A 94 -8.149 8.139 -0.076 1.00 0.00 N ATOM 1344 CZ ARG A 94 -8.347 9.414 0.241 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -7.661 9.969 1.230 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -9.230 10.137 -0.435 1.00 0.00 N ATOM 0 H ARG A 94 -5.827 6.963 4.857 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.189 5.303 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.770 6.073 2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.955 4.872 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.716 6.540 1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.674 7.758 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.237 7.783 0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.030 6.373 0.023 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.691 7.743 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.979 9.417 1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.815 10.948 1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.758 9.714 -1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.381 11.116 -0.191 1.00 0.00 H new ATOM 1360 N SER A 95 -5.627 4.444 5.662 1.00 0.00 N ATOM 1361 CA SER A 95 -4.830 3.355 6.215 1.00 0.00 C ATOM 1362 C SER A 95 -5.295 3.004 7.625 1.00 0.00 C ATOM 1363 O SER A 95 -5.857 3.831 8.344 1.00 0.00 O ATOM 1364 CB SER A 95 -3.348 3.738 6.235 1.00 0.00 C ATOM 1365 OG SER A 95 -2.682 3.141 7.334 1.00 0.00 O ATOM 0 H SER A 95 -5.584 5.312 6.196 1.00 0.00 H new ATOM 0 HA SER A 95 -4.963 2.480 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.875 3.423 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.250 4.822 6.292 1.00 0.00 H new ATOM 0 HG SER A 95 -1.951 3.723 7.629 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.056 1.749 8.030 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.388 0.757 7.183 1.00 0.00 C ATOM 1373 C PRO A 96 -5.258 0.317 6.010 1.00 0.00 C ATOM 1374 O PRO A 96 -6.394 0.767 5.864 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.141 -0.416 8.136 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.188 -0.277 9.186 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.419 1.200 9.348 1.00 0.00 C ATOM 0 HA PRO A 96 -3.479 1.154 6.730 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.224 -1.371 7.618 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.140 -0.373 8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.106 -0.785 8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.862 -0.726 10.124 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.456 1.419 9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.801 1.619 10.142 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.717 -0.566 5.177 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.444 -1.067 4.016 1.00 0.00 C ATOM 1387 C PHE A 97 -5.707 -2.564 4.144 1.00 0.00 C ATOM 1388 O PHE A 97 -4.786 -3.352 4.361 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.659 -0.782 2.734 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.606 0.675 2.374 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -3.710 1.525 3.002 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -5.452 1.195 1.407 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -3.660 2.866 2.673 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -5.406 2.535 1.074 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.509 3.372 1.707 1.00 0.00 C ATOM 0 H PHE A 97 -3.778 -0.949 5.284 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.403 -0.551 3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.642 -1.157 2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.111 -1.335 1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.043 1.135 3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.155 0.545 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.958 3.518 3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.071 2.927 0.319 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.471 4.420 1.448 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.971 -2.950 4.006 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.358 -4.354 4.105 1.00 0.00 C ATOM 1407 C LYS A 98 -7.324 -5.024 2.736 1.00 0.00 C ATOM 1408 O LYS A 98 -8.183 -4.775 1.890 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.758 -4.476 4.711 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.838 -3.798 3.887 1.00 0.00 C ATOM 1411 CD LYS A 98 -11.027 -3.400 4.746 1.00 0.00 C ATOM 1412 CE LYS A 98 -11.995 -4.559 4.930 1.00 0.00 C ATOM 1413 NZ LYS A 98 -13.243 -4.134 5.623 1.00 0.00 N ATOM 0 H LYS A 98 -7.745 -2.311 3.825 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.643 -4.859 4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.006 -5.532 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.751 -4.044 5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.426 -2.913 3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.169 -4.470 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.676 -3.060 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.546 -2.561 4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.246 -4.981 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.511 -5.349 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.877 -4.952 5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.007 -3.755 6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.718 -3.398 5.062 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.327 -5.878 2.525 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.183 -6.587 1.259 1.00 0.00 C ATOM 1429 C VAL A 99 -6.298 -8.094 1.457 1.00 0.00 C ATOM 1430 O VAL A 99 -5.395 -8.730 2.002 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.833 -6.270 0.588 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.703 -7.019 -0.729 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.683 -4.771 0.376 1.00 0.00 C ATOM 0 H VAL A 99 -5.607 -6.095 3.214 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.991 -6.246 0.612 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.032 -6.602 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.743 -6.783 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.763 -8.092 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.509 -6.720 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.724 -4.565 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.489 -4.411 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.728 -4.261 1.338 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.414 -8.660 1.012 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.648 -10.095 1.138 1.00 0.00 C ATOM 1445 C LYS A 100 -7.006 -10.855 -0.019 1.00 0.00 C ATOM 1446 O LYS A 100 -7.578 -10.952 -1.104 1.00 0.00 O ATOM 1447 CB LYS A 100 -9.150 -10.385 1.181 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.481 -11.865 1.258 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.968 -12.094 1.471 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.321 -13.571 1.399 1.00 0.00 C ATOM 1451 NZ LYS A 100 -11.139 -14.118 0.026 1.00 0.00 N ATOM 0 H LYS A 100 -8.172 -8.148 0.561 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.192 -10.432 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.585 -9.879 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.619 -9.962 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.164 -12.358 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.921 -12.322 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.263 -11.695 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.533 -11.547 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.697 -14.128 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.355 -13.713 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.620 -15.037 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.545 -13.458 -0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.125 -14.242 -0.167 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.814 -11.392 0.221 1.00 0.00 N ATOM 1466 CA VAL A 101 -5.096 -12.145 -0.799 1.00 0.00 C ATOM 1467 C VAL A 101 -5.791 -13.469 -1.096 1.00 0.00 C ATOM 1468 O VAL A 101 -6.397 -14.077 -0.212 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.643 -12.426 -0.371 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.913 -13.218 -1.444 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.915 -11.124 -0.070 1.00 0.00 C ATOM 0 H VAL A 101 -5.326 -11.319 1.113 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.090 -11.531 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.661 -13.025 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.888 -13.407 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.423 -14.168 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.903 -12.648 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.890 -11.341 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.906 -10.497 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.426 -10.599 0.737 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.700 -13.911 -2.345 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.320 -15.165 -2.761 1.00 0.00 C ATOM 1483 C LEU A 102 -5.263 -16.207 -3.107 1.00 0.00 C ATOM 1484 O LEU A 102 -4.128 -15.884 -3.456 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.235 -14.930 -3.965 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.566 -14.238 -3.672 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.240 -13.809 -4.966 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.479 -15.156 -2.872 1.00 0.00 C ATOM 0 H LEU A 102 -5.203 -13.420 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.915 -15.541 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.692 -14.333 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.444 -15.893 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.368 -13.347 -3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.186 -13.318 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.591 -13.116 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.426 -14.685 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.422 -14.647 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.671 -16.065 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.999 -15.414 -1.928 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.641 -17.490 -3.007 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.740 -18.608 -3.308 1.00 0.00 C ATOM 1502 C PRO A 103 -4.425 -18.713 -4.796 1.00 0.00 C ATOM 1503 O PRO A 103 -5.326 -18.816 -5.628 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.528 -19.833 -2.841 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.956 -19.419 -2.916 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.979 -17.950 -2.596 1.00 0.00 C ATOM 0 HA PRO A 103 -3.772 -18.495 -2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.332 -20.695 -3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.252 -20.118 -1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.366 -19.609 -3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.563 -19.982 -2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.767 -17.432 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.157 -17.773 -1.535 1.00 0.00 H new ATOM 1514 N THR A 104 -3.137 -18.687 -5.126 1.00 0.00 N ATOM 1515 CA THR A 104 -2.703 -18.778 -6.514 1.00 0.00 C ATOM 1516 C THR A 104 -3.622 -19.688 -7.320 1.00 0.00 C ATOM 1517 O THR A 104 -3.842 -19.468 -8.511 1.00 0.00 O ATOM 1518 CB THR A 104 -1.258 -19.306 -6.618 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.353 -18.380 -6.006 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.865 -19.524 -8.070 1.00 0.00 C ATOM 0 H THR A 104 -2.377 -18.604 -4.451 1.00 0.00 H new ATOM 0 HA THR A 104 -2.745 -17.769 -6.924 1.00 0.00 H new ATOM 0 HB THR A 104 -1.205 -20.262 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.735 -17.478 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.158 -19.897 -8.118 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.538 -20.252 -8.524 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.933 -18.580 -8.611 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.158 -20.711 -6.663 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.054 -21.655 -7.319 1.00 0.00 C ATOM 1530 C TYR A 105 -6.511 -21.337 -6.999 1.00 0.00 C ATOM 1531 O TYR A 105 -6.859 -21.056 -5.852 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.726 -23.085 -6.887 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.498 -23.656 -7.560 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.241 -23.107 -7.337 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.595 -24.742 -8.421 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -1.117 -23.623 -7.951 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.476 -25.266 -9.039 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.239 -24.703 -8.800 1.00 0.00 C ATOM 1539 OH TYR A 105 -0.122 -25.221 -9.414 1.00 0.00 O ATOM 0 H TYR A 105 -3.987 -20.907 -5.677 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.910 -21.565 -8.396 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.580 -23.105 -5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.580 -23.726 -7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.142 -22.262 -6.672 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.562 -25.184 -8.610 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.148 -23.183 -7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.569 -26.111 -9.705 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.381 -25.979 -9.978 1.00 0.00 H new