USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 700 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 64 TYR OH : rot 39:sc= -5.13! USER MOD Set 1.2: A 66 HIS : no HD1:sc= -6.73! C(o=-12!,f=-26!) USER MOD Set 2.1: A 31 THR OG1 : rot 145:sc= -3.23! USER MOD Set 2.2: A 62 ASN : amide:sc= -4.72! C(o=-7.7!,f=-24!) USER MOD Set 2.3: A 63 LYS NZ :NH3+ 178:sc= 0.292 (180deg=-0.832) USER MOD Set 3.1: A 52 ASN : amide:sc= -1.15 K(o=-3.8,f=-14!) USER MOD Set 3.2: A 68 LYS NZ :NH3+ -172:sc= -1.78! (180deg=-3.15!) USER MOD Set 3.3: A 83 THR OG1 : rot 180:sc= -0.859 USER MOD Set 4.1: A 42 GLN : amide:sc= -11.4! C(o=-11!,f=-13!) USER MOD Set 4.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -78:sc= -3.51! USER MOD Single : A 17 GLN : amide:sc= -5.69! C(o=-5.7!,f=-3.9!) USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00515) USER MOD Single : A 24 LYS NZ :NH3+ 154:sc= -0.398 (180deg=-1.07) USER MOD Single : A 26 GLN : amide:sc= -0.574 K(o=-0.57,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -135:sc= -0.522 (180deg=-1.57!) USER MOD Single : A 32 ASN : amide:sc= -3.56! C(o=-3.6!,f=-6.5!) USER MOD Single : A 34 THR OG1 : rot -45:sc= 0.828 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= -0.252 (180deg=-1.02) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.438 USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.162) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.87 K(o=-1.9,f=-3.9) USER MOD Single : A 51 THR OG1 : rot 99:sc= 0.0954 USER MOD Single : A 53 TYR OH : rot 180:sc= -2.56 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 35:sc= 0.731 USER MOD Single : A 76 GLN : amide:sc= -0.441 K(o=-0.44,f=-3.7!) USER MOD Single : A 77 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.13) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.67) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -5.07! C(o=-5.1!,f=-4.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 7 -14.403 -5.497 -9.842 1.00 0.00 N ATOM 87 CA SER A 7 -15.527 -6.346 -9.357 1.00 0.00 C ATOM 88 C SER A 7 -15.325 -6.657 -7.873 1.00 0.00 C ATOM 89 O SER A 7 -15.760 -5.917 -7.012 1.00 0.00 O ATOM 90 CB SER A 7 -15.559 -7.653 -10.150 1.00 0.00 C ATOM 91 OG SER A 7 -16.255 -7.444 -11.370 1.00 0.00 O ATOM 0 HA SER A 7 -16.469 -5.815 -9.494 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.544 -7.995 -10.351 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.049 -8.433 -9.568 1.00 0.00 H new ATOM 0 HG SER A 7 -16.276 -8.279 -11.882 1.00 0.00 H new ATOM 97 N GLU A 8 -14.671 -7.742 -7.564 1.00 0.00 N ATOM 98 CA GLU A 8 -14.447 -8.093 -6.138 1.00 0.00 C ATOM 99 C GLU A 8 -13.140 -7.473 -5.656 1.00 0.00 C ATOM 100 O GLU A 8 -12.104 -8.104 -5.660 1.00 0.00 O ATOM 101 CB GLU A 8 -14.384 -9.615 -5.976 1.00 0.00 C ATOM 102 CG GLU A 8 -15.784 -10.210 -6.151 1.00 0.00 C ATOM 103 CD GLU A 8 -15.671 -11.657 -6.634 1.00 0.00 C ATOM 104 OE1 GLU A 8 -14.661 -11.983 -7.236 1.00 0.00 O ATOM 105 OE2 GLU A 8 -16.596 -12.415 -6.394 1.00 0.00 O ATOM 0 H GLU A 8 -14.282 -8.400 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.274 -7.705 -5.543 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.702 -10.041 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.990 -9.870 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.326 -10.173 -5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -16.354 -9.620 -6.869 1.00 0.00 H new ATOM 112 N ALA A 9 -13.182 -6.236 -5.238 1.00 0.00 N ATOM 113 CA ALA A 9 -11.945 -5.577 -4.755 1.00 0.00 C ATOM 114 C ALA A 9 -12.297 -4.269 -4.045 1.00 0.00 C ATOM 115 O ALA A 9 -13.123 -3.502 -4.498 1.00 0.00 O ATOM 116 CB ALA A 9 -11.038 -5.284 -5.945 1.00 0.00 C ATOM 0 H ALA A 9 -14.022 -5.658 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.432 -6.235 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.126 -4.799 -5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.784 -6.217 -6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.555 -4.626 -6.643 1.00 0.00 H new ATOM 122 N LYS A 10 -11.666 -4.008 -2.933 1.00 0.00 N ATOM 123 CA LYS A 10 -11.950 -2.750 -2.188 1.00 0.00 C ATOM 124 C LYS A 10 -10.872 -1.710 -2.515 1.00 0.00 C ATOM 125 O LYS A 10 -9.802 -2.059 -2.974 1.00 0.00 O ATOM 126 CB LYS A 10 -11.947 -3.037 -0.685 1.00 0.00 C ATOM 127 CG LYS A 10 -13.348 -2.805 -0.117 1.00 0.00 C ATOM 128 CD LYS A 10 -13.253 -2.573 1.392 1.00 0.00 C ATOM 129 CE LYS A 10 -13.559 -1.108 1.702 1.00 0.00 C ATOM 130 NZ LYS A 10 -13.438 -0.873 3.169 1.00 0.00 N ATOM 0 H LYS A 10 -10.964 -4.614 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.926 -2.364 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.634 -4.065 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.228 -2.390 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.810 -1.944 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.984 -3.666 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.956 -3.221 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.256 -2.831 1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.870 -0.459 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.564 -0.856 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.646 0.124 3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.113 -1.482 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.471 -1.097 3.478 1.00 0.00 H new ATOM 144 N PRO A 11 -11.191 -0.465 -2.271 1.00 0.00 N ATOM 145 CA PRO A 11 -10.272 0.658 -2.536 1.00 0.00 C ATOM 146 C PRO A 11 -9.196 0.760 -1.447 1.00 0.00 C ATOM 147 O PRO A 11 -9.463 1.163 -0.333 1.00 0.00 O ATOM 148 CB PRO A 11 -11.187 1.882 -2.520 1.00 0.00 C ATOM 149 CG PRO A 11 -12.440 1.480 -1.706 1.00 0.00 C ATOM 150 CD PRO A 11 -12.496 -0.060 -1.712 1.00 0.00 C ATOM 0 HA PRO A 11 -9.729 0.547 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.685 2.736 -2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.460 2.176 -3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.378 1.861 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.342 1.902 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.640 -0.458 -0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.322 -0.427 -2.322 1.00 0.00 H new ATOM 158 N ALA A 12 -7.985 0.400 -1.789 1.00 0.00 N ATOM 159 CA ALA A 12 -6.843 0.458 -0.824 1.00 0.00 C ATOM 160 C ALA A 12 -7.328 0.255 0.614 1.00 0.00 C ATOM 161 O ALA A 12 -7.700 1.193 1.290 1.00 0.00 O ATOM 162 CB ALA A 12 -6.148 1.812 -0.927 1.00 0.00 C ATOM 0 H ALA A 12 -7.734 0.061 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.146 -0.341 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.317 1.849 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.771 1.951 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.859 2.605 -0.692 1.00 0.00 H new ATOM 168 N THR A 13 -7.317 -0.956 1.094 1.00 0.00 N ATOM 169 CA THR A 13 -7.765 -1.204 2.496 1.00 0.00 C ATOM 170 C THR A 13 -6.748 -0.581 3.450 1.00 0.00 C ATOM 171 O THR A 13 -5.663 -0.223 3.039 1.00 0.00 O ATOM 172 CB THR A 13 -7.838 -2.713 2.751 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.415 -3.415 1.593 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.274 -3.108 3.100 1.00 0.00 C ATOM 0 H THR A 13 -7.018 -1.785 0.579 1.00 0.00 H new ATOM 0 HA THR A 13 -8.749 -0.764 2.655 1.00 0.00 H new ATOM 0 HB THR A 13 -7.183 -2.969 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.139 -3.424 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.322 -4.182 3.281 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.590 -2.575 3.996 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.934 -2.849 2.272 1.00 0.00 H new ATOM 182 N PRO A 14 -7.103 -0.504 4.704 1.00 0.00 N ATOM 183 CA PRO A 14 -6.201 0.031 5.733 1.00 0.00 C ATOM 184 C PRO A 14 -5.127 -1.025 6.001 1.00 0.00 C ATOM 185 O PRO A 14 -4.152 -0.801 6.690 1.00 0.00 O ATOM 186 CB PRO A 14 -7.114 0.244 6.944 1.00 0.00 C ATOM 187 CG PRO A 14 -8.340 -0.676 6.728 1.00 0.00 C ATOM 188 CD PRO A 14 -8.414 -0.949 5.212 1.00 0.00 C ATOM 0 HA PRO A 14 -5.688 0.955 5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.597 -0.007 7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.419 1.287 7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.231 -1.606 7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.253 -0.197 7.082 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.585 -2.005 5.005 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.231 -0.397 4.747 1.00 0.00 H new ATOM 196 N GLU A 15 -5.321 -2.182 5.421 1.00 0.00 N ATOM 197 CA GLU A 15 -4.368 -3.303 5.564 1.00 0.00 C ATOM 198 C GLU A 15 -3.449 -3.315 4.342 1.00 0.00 C ATOM 199 O GLU A 15 -2.245 -3.205 4.444 1.00 0.00 O ATOM 200 CB GLU A 15 -5.180 -4.593 5.586 1.00 0.00 C ATOM 201 CG GLU A 15 -4.251 -5.800 5.449 1.00 0.00 C ATOM 202 CD GLU A 15 -4.406 -6.703 6.676 1.00 0.00 C ATOM 203 OE1 GLU A 15 -4.261 -6.203 7.778 1.00 0.00 O ATOM 204 OE2 GLU A 15 -4.667 -7.880 6.490 1.00 0.00 O ATOM 0 H GLU A 15 -6.130 -2.394 4.837 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.774 -3.204 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.743 -4.662 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.906 -4.589 4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.490 -6.356 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.217 -5.468 5.356 1.00 0.00 H new ATOM 211 N ILE A 16 -4.034 -3.446 3.182 1.00 0.00 N ATOM 212 CA ILE A 16 -3.231 -3.464 1.924 1.00 0.00 C ATOM 213 C ILE A 16 -2.370 -2.208 1.850 1.00 0.00 C ATOM 214 O ILE A 16 -1.197 -2.265 1.553 1.00 0.00 O ATOM 215 CB ILE A 16 -4.167 -3.494 0.714 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.132 -4.676 0.843 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.339 -3.657 -0.562 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.338 -5.983 0.853 1.00 0.00 C ATOM 0 H ILE A 16 -5.041 -3.542 3.050 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.596 -4.350 1.920 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.733 -2.564 0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.715 -4.585 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.839 -4.674 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.003 -3.679 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.648 -2.820 -0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.776 -4.589 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.024 -6.825 0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.775 -6.074 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.648 -5.983 1.697 1.00 0.00 H new ATOM 230 N GLN A 17 -2.944 -1.070 2.109 1.00 0.00 N ATOM 231 CA GLN A 17 -2.155 0.187 2.044 1.00 0.00 C ATOM 232 C GLN A 17 -1.060 0.148 3.108 1.00 0.00 C ATOM 233 O GLN A 17 -0.029 0.776 2.971 1.00 0.00 O ATOM 234 CB GLN A 17 -3.087 1.385 2.262 1.00 0.00 C ATOM 235 CG GLN A 17 -3.393 1.556 3.752 1.00 0.00 C ATOM 236 CD GLN A 17 -4.096 2.899 3.983 1.00 0.00 C ATOM 237 OE1 GLN A 17 -4.291 3.305 5.113 1.00 0.00 O ATOM 238 NE2 GLN A 17 -4.491 3.613 2.960 1.00 0.00 N ATOM 0 H GLN A 17 -3.925 -0.956 2.363 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.687 0.287 1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.623 2.291 1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.014 1.239 1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.025 0.739 4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.470 1.513 4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.330 3.277 2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.960 4.506 3.112 1.00 0.00 H new ATOM 247 N GLU A 18 -1.260 -0.606 4.153 1.00 0.00 N ATOM 248 CA GLU A 18 -0.210 -0.699 5.198 1.00 0.00 C ATOM 249 C GLU A 18 0.959 -1.496 4.623 1.00 0.00 C ATOM 250 O GLU A 18 2.099 -1.312 4.998 1.00 0.00 O ATOM 251 CB GLU A 18 -0.763 -1.408 6.437 1.00 0.00 C ATOM 252 CG GLU A 18 0.329 -1.492 7.505 1.00 0.00 C ATOM 253 CD GLU A 18 -0.036 -2.574 8.522 1.00 0.00 C ATOM 254 OE1 GLU A 18 -0.584 -3.584 8.112 1.00 0.00 O ATOM 255 OE2 GLU A 18 0.239 -2.373 9.694 1.00 0.00 O ATOM 0 H GLU A 18 -2.100 -1.158 4.326 1.00 0.00 H new ATOM 0 HA GLU A 18 0.118 0.298 5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.625 -0.866 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.107 -2.408 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.289 -1.722 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.439 -0.530 8.005 1.00 0.00 H new ATOM 262 N ILE A 19 0.678 -2.368 3.691 1.00 0.00 N ATOM 263 CA ILE A 19 1.763 -3.165 3.058 1.00 0.00 C ATOM 264 C ILE A 19 2.615 -2.211 2.227 1.00 0.00 C ATOM 265 O ILE A 19 3.810 -2.360 2.101 1.00 0.00 O ATOM 266 CB ILE A 19 1.143 -4.252 2.161 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.086 -5.454 2.094 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.897 -3.723 0.739 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.376 -5.052 1.373 1.00 0.00 C ATOM 0 H ILE A 19 -0.261 -2.561 3.341 1.00 0.00 H new ATOM 0 HA ILE A 19 2.379 -3.654 3.812 1.00 0.00 H new ATOM 0 HB ILE A 19 0.186 -4.546 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.314 -5.807 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.605 -6.278 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.459 -4.512 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.214 -2.874 0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.843 -3.407 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.048 -5.909 1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.139 -4.720 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.860 -4.241 1.918 1.00 0.00 H new ATOM 281 N VAL A 20 1.982 -1.224 1.665 1.00 0.00 N ATOM 282 CA VAL A 20 2.715 -0.230 0.842 1.00 0.00 C ATOM 283 C VAL A 20 3.560 0.657 1.764 1.00 0.00 C ATOM 284 O VAL A 20 4.314 1.495 1.318 1.00 0.00 O ATOM 285 CB VAL A 20 1.693 0.610 0.064 1.00 0.00 C ATOM 286 CG1 VAL A 20 2.263 1.992 -0.277 1.00 0.00 C ATOM 287 CG2 VAL A 20 1.328 -0.121 -1.228 1.00 0.00 C ATOM 0 H VAL A 20 0.978 -1.062 1.742 1.00 0.00 H new ATOM 0 HA VAL A 20 3.379 -0.727 0.135 1.00 0.00 H new ATOM 0 HB VAL A 20 0.808 0.748 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.519 2.567 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.519 2.517 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.158 1.876 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.602 0.469 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.224 -0.261 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.897 -1.093 -0.987 1.00 0.00 H new ATOM 297 N ASP A 21 3.426 0.478 3.050 1.00 0.00 N ATOM 298 CA ASP A 21 4.204 1.305 4.015 1.00 0.00 C ATOM 299 C ASP A 21 5.440 0.543 4.499 1.00 0.00 C ATOM 300 O ASP A 21 6.366 1.122 5.033 1.00 0.00 O ATOM 301 CB ASP A 21 3.318 1.608 5.218 1.00 0.00 C ATOM 302 CG ASP A 21 3.186 3.121 5.393 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.204 3.765 5.585 1.00 0.00 O ATOM 304 OD2 ASP A 21 2.071 3.611 5.327 1.00 0.00 O ATOM 0 H ASP A 21 2.806 -0.211 3.476 1.00 0.00 H new ATOM 0 HA ASP A 21 4.522 2.224 3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.334 1.161 5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.745 1.164 6.117 1.00 0.00 H new ATOM 309 N LYS A 22 5.454 -0.750 4.343 1.00 0.00 N ATOM 310 CA LYS A 22 6.621 -1.545 4.821 1.00 0.00 C ATOM 311 C LYS A 22 7.358 -2.192 3.636 1.00 0.00 C ATOM 312 O LYS A 22 8.566 -2.119 3.544 1.00 0.00 O ATOM 313 CB LYS A 22 6.107 -2.571 5.860 1.00 0.00 C ATOM 314 CG LYS A 22 6.287 -4.025 5.405 1.00 0.00 C ATOM 315 CD LYS A 22 4.980 -4.494 4.763 1.00 0.00 C ATOM 316 CE LYS A 22 4.807 -5.997 4.994 1.00 0.00 C ATOM 317 NZ LYS A 22 3.547 -6.241 5.751 1.00 0.00 N ATOM 0 H LYS A 22 4.709 -1.292 3.906 1.00 0.00 H new ATOM 0 HA LYS A 22 7.358 -0.907 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.636 -2.422 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.051 -2.385 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.108 -4.101 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.542 -4.659 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.137 -3.950 5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.990 -4.278 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.778 -6.522 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.659 -6.391 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.403 -7.265 5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.613 -5.795 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.744 -5.834 5.230 1.00 0.00 H new ATOM 331 N VAL A 23 6.655 -2.806 2.725 1.00 0.00 N ATOM 332 CA VAL A 23 7.342 -3.426 1.557 1.00 0.00 C ATOM 333 C VAL A 23 7.556 -2.354 0.497 1.00 0.00 C ATOM 334 O VAL A 23 8.421 -2.453 -0.350 1.00 0.00 O ATOM 335 CB VAL A 23 6.471 -4.539 0.988 1.00 0.00 C ATOM 336 CG1 VAL A 23 7.021 -4.977 -0.367 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.485 -5.724 1.948 1.00 0.00 C ATOM 0 H VAL A 23 5.640 -2.905 2.738 1.00 0.00 H new ATOM 0 HA VAL A 23 8.300 -3.844 1.864 1.00 0.00 H new ATOM 0 HB VAL A 23 5.450 -4.177 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.397 -5.773 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.018 -4.129 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.041 -5.342 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.863 -6.525 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.507 -6.083 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.095 -5.412 2.917 1.00 0.00 H new ATOM 347 N LYS A 24 6.770 -1.318 0.556 1.00 0.00 N ATOM 348 CA LYS A 24 6.906 -0.211 -0.420 1.00 0.00 C ATOM 349 C LYS A 24 6.969 1.118 0.349 1.00 0.00 C ATOM 350 O LYS A 24 6.201 2.020 0.078 1.00 0.00 O ATOM 351 CB LYS A 24 5.690 -0.212 -1.347 1.00 0.00 C ATOM 352 CG LYS A 24 5.987 -1.072 -2.576 1.00 0.00 C ATOM 353 CD LYS A 24 5.745 -2.544 -2.239 1.00 0.00 C ATOM 354 CE LYS A 24 4.288 -2.899 -2.532 1.00 0.00 C ATOM 355 NZ LYS A 24 4.219 -3.734 -3.764 1.00 0.00 N ATOM 0 H LYS A 24 6.031 -1.192 1.248 1.00 0.00 H new ATOM 0 HA LYS A 24 7.812 -0.337 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.818 -0.600 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.451 0.807 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.351 -0.769 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.019 -0.926 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.410 -3.177 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.972 -2.730 -1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.857 -3.439 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.700 -1.990 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.365 -4.327 -3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.183 -3.117 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.061 -4.342 -3.819 1.00 0.00 H new ATOM 369 N PRO A 25 7.878 1.196 1.297 1.00 0.00 N ATOM 370 CA PRO A 25 8.053 2.399 2.137 1.00 0.00 C ATOM 371 C PRO A 25 8.694 3.531 1.338 1.00 0.00 C ATOM 372 O PRO A 25 8.899 4.619 1.837 1.00 0.00 O ATOM 373 CB PRO A 25 8.971 1.928 3.266 1.00 0.00 C ATOM 374 CG PRO A 25 9.714 0.686 2.726 1.00 0.00 C ATOM 375 CD PRO A 25 8.825 0.104 1.611 1.00 0.00 C ATOM 0 HA PRO A 25 7.109 2.798 2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.675 2.711 3.548 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.396 1.680 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.696 0.958 2.339 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.875 -0.046 3.517 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.414 -0.176 0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.303 -0.793 1.945 1.00 0.00 H new ATOM 383 N GLN A 26 8.972 3.298 0.088 1.00 0.00 N ATOM 384 CA GLN A 26 9.549 4.369 -0.754 1.00 0.00 C ATOM 385 C GLN A 26 8.471 4.719 -1.748 1.00 0.00 C ATOM 386 O GLN A 26 8.155 5.856 -1.975 1.00 0.00 O ATOM 387 CB GLN A 26 10.793 3.857 -1.484 1.00 0.00 C ATOM 388 CG GLN A 26 11.941 3.688 -0.487 1.00 0.00 C ATOM 389 CD GLN A 26 13.130 3.026 -1.187 1.00 0.00 C ATOM 390 OE1 GLN A 26 14.258 3.444 -1.019 1.00 0.00 O ATOM 391 NE2 GLN A 26 12.921 2.003 -1.969 1.00 0.00 N ATOM 0 H GLN A 26 8.822 2.407 -0.385 1.00 0.00 H new ATOM 0 HA GLN A 26 9.854 5.232 -0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.576 2.905 -1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.080 4.557 -2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.235 4.658 -0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.617 3.079 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.973 1.653 -2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.705 1.553 -2.440 1.00 0.00 H new ATOM 400 N LEU A 27 7.877 3.722 -2.304 1.00 0.00 N ATOM 401 CA LEU A 27 6.782 3.934 -3.263 1.00 0.00 C ATOM 402 C LEU A 27 5.637 4.667 -2.555 1.00 0.00 C ATOM 403 O LEU A 27 4.778 5.264 -3.172 1.00 0.00 O ATOM 404 CB LEU A 27 6.314 2.553 -3.696 1.00 0.00 C ATOM 405 CG LEU A 27 7.343 1.886 -4.624 1.00 0.00 C ATOM 406 CD1 LEU A 27 6.997 2.236 -6.065 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.773 2.364 -4.333 1.00 0.00 C ATOM 0 H LEU A 27 8.110 2.744 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 27 7.103 4.527 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.153 1.928 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.356 2.635 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 27 7.304 0.810 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.719 1.770 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.997 1.871 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.028 3.318 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.468 1.868 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.833 3.443 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.035 2.121 -3.303 1.00 0.00 H new ATOM 419 N GLU A 28 5.618 4.590 -1.251 1.00 0.00 N ATOM 420 CA GLU A 28 4.530 5.237 -0.453 1.00 0.00 C ATOM 421 C GLU A 28 4.918 6.647 0.014 1.00 0.00 C ATOM 422 O GLU A 28 4.115 7.344 0.600 1.00 0.00 O ATOM 423 CB GLU A 28 4.236 4.378 0.775 1.00 0.00 C ATOM 424 CG GLU A 28 3.066 4.980 1.553 1.00 0.00 C ATOM 425 CD GLU A 28 3.556 5.466 2.919 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.538 4.926 3.398 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.940 6.370 3.459 1.00 0.00 O ATOM 0 H GLU A 28 6.319 4.100 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 28 3.652 5.322 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.997 3.359 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.119 4.322 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.633 5.810 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.279 4.236 1.681 1.00 0.00 H new ATOM 434 N GLU A 29 6.123 7.084 -0.226 1.00 0.00 N ATOM 435 CA GLU A 29 6.507 8.451 0.227 1.00 0.00 C ATOM 436 C GLU A 29 7.428 9.034 -0.824 1.00 0.00 C ATOM 437 O GLU A 29 8.283 9.854 -0.557 1.00 0.00 O ATOM 438 CB GLU A 29 7.236 8.371 1.572 1.00 0.00 C ATOM 439 CG GLU A 29 8.393 7.376 1.469 1.00 0.00 C ATOM 440 CD GLU A 29 8.929 7.071 2.870 1.00 0.00 C ATOM 441 OE1 GLU A 29 8.216 7.331 3.826 1.00 0.00 O ATOM 442 OE2 GLU A 29 10.042 6.580 2.964 1.00 0.00 O ATOM 0 H GLU A 29 6.852 6.561 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 29 5.623 9.076 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.613 9.355 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.544 8.060 2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.055 6.457 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.187 7.788 0.846 1.00 0.00 H new ATOM 449 N LYS A 30 7.251 8.583 -2.020 1.00 0.00 N ATOM 450 CA LYS A 30 8.086 9.042 -3.143 1.00 0.00 C ATOM 451 C LYS A 30 7.224 9.871 -4.067 1.00 0.00 C ATOM 452 O LYS A 30 7.397 11.066 -4.199 1.00 0.00 O ATOM 453 CB LYS A 30 8.579 7.800 -3.862 1.00 0.00 C ATOM 454 CG LYS A 30 9.801 8.138 -4.723 1.00 0.00 C ATOM 455 CD LYS A 30 10.330 6.863 -5.385 1.00 0.00 C ATOM 456 CE LYS A 30 9.367 6.416 -6.489 1.00 0.00 C ATOM 457 NZ LYS A 30 9.584 4.971 -6.782 1.00 0.00 N ATOM 0 H LYS A 30 6.541 7.895 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 30 8.929 9.646 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.838 7.029 -3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.785 7.394 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.531 8.870 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.579 8.590 -4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.320 7.043 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.437 6.073 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.336 6.584 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.528 7.009 -7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.608 4.825 -7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.487 4.665 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.808 4.413 -6.372 1.00 0.00 H new ATOM 471 N THR A 31 6.271 9.243 -4.681 1.00 0.00 N ATOM 472 CA THR A 31 5.353 9.985 -5.570 1.00 0.00 C ATOM 473 C THR A 31 4.928 11.247 -4.830 1.00 0.00 C ATOM 474 O THR A 31 4.671 12.278 -5.419 1.00 0.00 O ATOM 475 CB THR A 31 4.155 9.082 -5.872 1.00 0.00 C ATOM 476 OG1 THR A 31 3.643 9.388 -7.161 1.00 0.00 O ATOM 477 CG2 THR A 31 3.049 9.263 -4.826 1.00 0.00 C ATOM 0 H THR A 31 6.088 8.242 -4.604 1.00 0.00 H new ATOM 0 HA THR A 31 5.820 10.265 -6.514 1.00 0.00 H new ATOM 0 HB THR A 31 4.491 8.045 -5.841 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.315 8.568 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.211 8.609 -5.066 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.436 9.009 -3.839 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.713 10.300 -4.828 1.00 0.00 H new ATOM 485 N ASN A 32 4.892 11.151 -3.524 1.00 0.00 N ATOM 486 CA ASN A 32 4.523 12.311 -2.669 1.00 0.00 C ATOM 487 C ASN A 32 3.506 13.191 -3.400 1.00 0.00 C ATOM 488 O ASN A 32 3.589 14.402 -3.383 1.00 0.00 O ATOM 489 CB ASN A 32 5.801 13.099 -2.343 1.00 0.00 C ATOM 490 CG ASN A 32 6.143 14.055 -3.490 1.00 0.00 C ATOM 491 OD1 ASN A 32 6.392 13.628 -4.599 1.00 0.00 O ATOM 492 ND2 ASN A 32 6.166 15.341 -3.264 1.00 0.00 N ATOM 0 H ASN A 32 5.108 10.298 -3.008 1.00 0.00 H new ATOM 0 HA ASN A 32 4.064 11.971 -1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.664 13.662 -1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.629 12.410 -2.176 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.393 15.988 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.957 15.699 -2.332 1.00 0.00 H new ATOM 499 N GLU A 33 2.547 12.584 -4.049 1.00 0.00 N ATOM 500 CA GLU A 33 1.530 13.385 -4.786 1.00 0.00 C ATOM 501 C GLU A 33 0.735 14.234 -3.794 1.00 0.00 C ATOM 502 O GLU A 33 0.767 14.004 -2.602 1.00 0.00 O ATOM 503 CB GLU A 33 0.576 12.444 -5.527 1.00 0.00 C ATOM 504 CG GLU A 33 0.380 12.940 -6.961 1.00 0.00 C ATOM 505 CD GLU A 33 1.528 12.437 -7.838 1.00 0.00 C ATOM 506 OE1 GLU A 33 2.640 12.362 -7.341 1.00 0.00 O ATOM 507 OE2 GLU A 33 1.276 12.137 -8.994 1.00 0.00 O ATOM 0 H GLU A 33 2.426 11.573 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 33 2.031 14.034 -5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.979 11.431 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.383 12.402 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.573 12.585 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.346 14.029 -6.979 1.00 0.00 H new ATOM 514 N THR A 34 0.019 15.211 -4.277 1.00 0.00 N ATOM 515 CA THR A 34 -0.780 16.068 -3.356 1.00 0.00 C ATOM 516 C THR A 34 -2.176 15.466 -3.197 1.00 0.00 C ATOM 517 O THR A 34 -3.162 16.169 -3.088 1.00 0.00 O ATOM 518 CB THR A 34 -0.885 17.482 -3.933 1.00 0.00 C ATOM 519 OG1 THR A 34 -1.602 18.311 -3.030 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.616 17.432 -5.273 1.00 0.00 C ATOM 0 H THR A 34 -0.048 15.453 -5.266 1.00 0.00 H new ATOM 0 HA THR A 34 -0.293 16.117 -2.382 1.00 0.00 H new ATOM 0 HB THR A 34 0.115 17.889 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.394 17.833 -2.706 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.691 18.439 -5.684 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.063 16.797 -5.966 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.616 17.024 -5.127 1.00 0.00 H new ATOM 528 N TYR A 35 -2.260 14.165 -3.177 1.00 0.00 N ATOM 529 CA TYR A 35 -3.580 13.493 -3.017 1.00 0.00 C ATOM 530 C TYR A 35 -3.403 12.255 -2.145 1.00 0.00 C ATOM 531 O TYR A 35 -2.494 12.163 -1.346 1.00 0.00 O ATOM 532 CB TYR A 35 -4.116 13.041 -4.380 1.00 0.00 C ATOM 533 CG TYR A 35 -3.685 14.008 -5.457 1.00 0.00 C ATOM 534 CD1 TYR A 35 -4.230 15.296 -5.499 1.00 0.00 C ATOM 535 CD2 TYR A 35 -2.747 13.612 -6.418 1.00 0.00 C ATOM 536 CE1 TYR A 35 -3.836 16.190 -6.503 1.00 0.00 C ATOM 537 CE2 TYR A 35 -2.355 14.506 -7.422 1.00 0.00 C ATOM 538 CZ TYR A 35 -2.898 15.796 -7.464 1.00 0.00 C ATOM 539 OH TYR A 35 -2.511 16.677 -8.452 1.00 0.00 O ATOM 0 H TYR A 35 -1.464 13.533 -3.265 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.279 14.195 -2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.748 12.041 -4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.204 12.981 -4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.954 15.601 -4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.326 12.618 -6.385 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.257 17.184 -6.535 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.633 14.200 -8.165 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.853 16.245 -9.036 1.00 0.00 H new ATOM 549 N GLY A 36 -4.261 11.293 -2.315 1.00 0.00 N ATOM 550 CA GLY A 36 -4.146 10.041 -1.529 1.00 0.00 C ATOM 551 C GLY A 36 -3.823 8.903 -2.493 1.00 0.00 C ATOM 552 O GLY A 36 -4.643 8.043 -2.750 1.00 0.00 O ATOM 0 H GLY A 36 -5.042 11.322 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.364 10.135 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.076 9.838 -0.999 1.00 0.00 H new ATOM 556 N LYS A 37 -2.629 8.881 -3.027 1.00 0.00 N ATOM 557 CA LYS A 37 -2.259 7.798 -3.961 1.00 0.00 C ATOM 558 C LYS A 37 -0.888 7.303 -3.529 1.00 0.00 C ATOM 559 O LYS A 37 -0.088 6.849 -4.297 1.00 0.00 O ATOM 560 CB LYS A 37 -2.206 8.333 -5.393 1.00 0.00 C ATOM 561 CG LYS A 37 -3.616 8.346 -5.986 1.00 0.00 C ATOM 562 CD LYS A 37 -4.249 9.723 -5.773 1.00 0.00 C ATOM 563 CE LYS A 37 -3.849 10.655 -6.918 1.00 0.00 C ATOM 564 NZ LYS A 37 -4.413 10.142 -8.200 1.00 0.00 N ATOM 0 H LYS A 37 -1.899 9.571 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.991 6.990 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.787 9.339 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.550 7.710 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.576 8.113 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.227 7.577 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.334 9.632 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.923 10.141 -4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.216 11.663 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.763 10.719 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.664 10.943 -8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.705 9.548 -8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.264 9.577 -8.004 1.00 0.00 H new ATOM 578 N LEU A 38 -0.623 7.425 -2.280 1.00 0.00 N ATOM 579 CA LEU A 38 0.669 7.022 -1.725 1.00 0.00 C ATOM 580 C LEU A 38 0.417 5.824 -0.832 1.00 0.00 C ATOM 581 O LEU A 38 0.607 5.880 0.366 1.00 0.00 O ATOM 582 CB LEU A 38 1.148 8.172 -0.869 1.00 0.00 C ATOM 583 CG LEU A 38 0.800 9.530 -1.514 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.810 9.454 -3.047 1.00 0.00 C ATOM 585 CD2 LEU A 38 -0.564 10.015 -1.020 1.00 0.00 C ATOM 0 H LEU A 38 -1.276 7.803 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 38 1.398 6.777 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.692 8.108 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.226 8.099 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 38 1.568 10.243 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.560 10.431 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.801 9.157 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.076 8.720 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.798 10.974 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.329 9.286 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.538 10.131 0.064 1.00 0.00 H new ATOM 597 N GLU A 39 -0.069 4.761 -1.385 1.00 0.00 N ATOM 598 CA GLU A 39 -0.397 3.600 -0.539 1.00 0.00 C ATOM 599 C GLU A 39 -0.949 2.491 -1.424 1.00 0.00 C ATOM 600 O GLU A 39 -0.643 2.412 -2.596 1.00 0.00 O ATOM 601 CB GLU A 39 -1.454 4.057 0.468 1.00 0.00 C ATOM 602 CG GLU A 39 -0.915 3.882 1.889 1.00 0.00 C ATOM 603 CD GLU A 39 -1.826 4.620 2.872 1.00 0.00 C ATOM 604 OE1 GLU A 39 -2.465 5.573 2.455 1.00 0.00 O ATOM 605 OE2 GLU A 39 -1.869 4.222 4.024 1.00 0.00 O ATOM 0 H GLU A 39 -0.252 4.647 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 39 0.480 3.222 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.712 5.101 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.368 3.477 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.868 2.823 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.101 4.271 1.955 1.00 0.00 H new ATOM 612 N ALA A 40 -1.776 1.651 -0.891 1.00 0.00 N ATOM 613 CA ALA A 40 -2.357 0.576 -1.730 1.00 0.00 C ATOM 614 C ALA A 40 -3.443 1.178 -2.617 1.00 0.00 C ATOM 615 O ALA A 40 -4.019 2.203 -2.311 1.00 0.00 O ATOM 616 CB ALA A 40 -2.961 -0.514 -0.839 1.00 0.00 C ATOM 0 H ALA A 40 -2.076 1.659 0.084 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.578 0.130 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.386 -1.300 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.183 -0.936 -0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.744 -0.082 -0.216 1.00 0.00 H new ATOM 622 N VAL A 41 -3.718 0.549 -3.715 1.00 0.00 N ATOM 623 CA VAL A 41 -4.756 1.060 -4.642 1.00 0.00 C ATOM 624 C VAL A 41 -6.025 0.257 -4.402 1.00 0.00 C ATOM 625 O VAL A 41 -7.127 0.750 -4.528 1.00 0.00 O ATOM 626 CB VAL A 41 -4.257 0.866 -6.090 1.00 0.00 C ATOM 627 CG1 VAL A 41 -5.224 0.012 -6.896 1.00 0.00 C ATOM 628 CG2 VAL A 41 -4.135 2.222 -6.778 1.00 0.00 C ATOM 0 H VAL A 41 -3.261 -0.312 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.956 2.119 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.289 0.367 -6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.845 -0.107 -7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.321 -0.968 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.199 0.498 -6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.783 2.081 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.109 2.711 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.426 2.844 -6.232 1.00 0.00 H new ATOM 638 N GLN A 42 -5.856 -0.994 -4.090 1.00 0.00 N ATOM 639 CA GLN A 42 -7.035 -1.867 -3.869 1.00 0.00 C ATOM 640 C GLN A 42 -6.575 -3.323 -3.866 1.00 0.00 C ATOM 641 O GLN A 42 -5.475 -3.643 -4.270 1.00 0.00 O ATOM 642 CB GLN A 42 -8.064 -1.593 -4.993 1.00 0.00 C ATOM 643 CG GLN A 42 -8.580 -2.896 -5.638 1.00 0.00 C ATOM 644 CD GLN A 42 -7.461 -3.529 -6.469 1.00 0.00 C ATOM 645 OE1 GLN A 42 -6.874 -2.884 -7.316 1.00 0.00 O ATOM 646 NE2 GLN A 42 -7.147 -4.775 -6.261 1.00 0.00 N ATOM 0 H GLN A 42 -4.950 -1.450 -3.978 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.509 -1.660 -2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.905 -1.033 -4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.606 -0.967 -5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.912 -3.590 -4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.443 -2.685 -6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.641 -5.314 -5.550 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.407 -5.213 -6.809 1.00 0.00 H new ATOM 655 N TYR A 43 -7.415 -4.201 -3.420 1.00 0.00 N ATOM 656 CA TYR A 43 -7.052 -5.633 -3.389 1.00 0.00 C ATOM 657 C TYR A 43 -8.297 -6.458 -3.700 1.00 0.00 C ATOM 658 O TYR A 43 -9.276 -6.427 -2.981 1.00 0.00 O ATOM 659 CB TYR A 43 -6.526 -5.987 -2.009 1.00 0.00 C ATOM 660 CG TYR A 43 -7.633 -5.800 -0.999 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.202 -4.534 -0.793 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.104 -6.902 -0.283 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.244 -4.380 0.132 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.140 -6.747 0.644 1.00 0.00 C ATOM 665 CZ TYR A 43 -9.711 -5.487 0.850 1.00 0.00 C ATOM 666 OH TYR A 43 -10.735 -5.334 1.762 1.00 0.00 O ATOM 0 H TYR A 43 -8.349 -3.985 -3.071 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.279 -5.844 -4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.172 -7.018 -1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.675 -5.354 -1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.838 -3.680 -1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.667 -7.876 -0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.686 -3.408 0.291 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.499 -7.600 1.201 1.00 0.00 H new ATOM 0 HH TYR A 43 -10.939 -6.200 2.173 1.00 0.00 H new ATOM 676 N LYS A 44 -8.273 -7.184 -4.779 1.00 0.00 N ATOM 677 CA LYS A 44 -9.453 -7.998 -5.156 1.00 0.00 C ATOM 678 C LYS A 44 -9.281 -9.410 -4.593 1.00 0.00 C ATOM 679 O LYS A 44 -8.189 -9.831 -4.276 1.00 0.00 O ATOM 680 CB LYS A 44 -9.588 -7.993 -6.700 1.00 0.00 C ATOM 681 CG LYS A 44 -9.477 -9.403 -7.318 1.00 0.00 C ATOM 682 CD LYS A 44 -10.867 -10.040 -7.431 1.00 0.00 C ATOM 683 CE LYS A 44 -11.799 -9.111 -8.212 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.338 -9.834 -9.399 1.00 0.00 N ATOM 0 H LYS A 44 -7.481 -7.248 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.371 -7.584 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.548 -7.556 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.814 -7.354 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.016 -9.341 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.831 -10.029 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.796 -11.005 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.274 -10.227 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.617 -8.777 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.259 -8.219 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.727 -9.148 -10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.574 -10.373 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.090 -10.486 -9.096 1.00 0.00 H new ATOM 698 N THR A 45 -10.345 -10.140 -4.456 1.00 0.00 N ATOM 699 CA THR A 45 -10.218 -11.515 -3.908 1.00 0.00 C ATOM 700 C THR A 45 -10.739 -12.530 -4.923 1.00 0.00 C ATOM 701 O THR A 45 -11.661 -12.269 -5.671 1.00 0.00 O ATOM 702 CB THR A 45 -11.024 -11.627 -2.616 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.707 -10.404 -2.379 1.00 0.00 O ATOM 704 CG2 THR A 45 -10.082 -11.924 -1.448 1.00 0.00 C ATOM 0 H THR A 45 -11.292 -9.849 -4.697 1.00 0.00 H new ATOM 0 HA THR A 45 -9.168 -11.721 -3.702 1.00 0.00 H new ATOM 0 HB THR A 45 -11.749 -12.436 -2.708 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.226 -10.475 -1.551 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.659 -12.004 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.560 -12.863 -1.631 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.355 -11.117 -1.353 1.00 0.00 H new ATOM 712 N GLN A 46 -10.148 -13.689 -4.946 1.00 0.00 N ATOM 713 CA GLN A 46 -10.584 -14.744 -5.897 1.00 0.00 C ATOM 714 C GLN A 46 -9.997 -16.075 -5.434 1.00 0.00 C ATOM 715 O GLN A 46 -8.800 -16.220 -5.337 1.00 0.00 O ATOM 716 CB GLN A 46 -10.062 -14.415 -7.297 1.00 0.00 C ATOM 717 CG GLN A 46 -8.635 -13.873 -7.192 1.00 0.00 C ATOM 718 CD GLN A 46 -7.808 -14.368 -8.380 1.00 0.00 C ATOM 719 OE1 GLN A 46 -7.434 -15.522 -8.438 1.00 0.00 O ATOM 720 NE2 GLN A 46 -7.503 -13.534 -9.337 1.00 0.00 N ATOM 0 H GLN A 46 -9.372 -13.953 -4.339 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.672 -14.801 -5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.079 -15.307 -7.923 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.708 -13.679 -7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.650 -12.783 -7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.179 -14.200 -6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.817 -12.565 -9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.951 -13.852 -10.133 1.00 0.00 H new ATOM 729 N VAL A 47 -10.828 -17.034 -5.133 1.00 0.00 N ATOM 730 CA VAL A 47 -10.324 -18.355 -4.659 1.00 0.00 C ATOM 731 C VAL A 47 -9.338 -18.943 -5.658 1.00 0.00 C ATOM 732 O VAL A 47 -8.734 -18.231 -6.433 1.00 0.00 O ATOM 733 CB VAL A 47 -11.515 -19.295 -4.475 1.00 0.00 C ATOM 734 CG1 VAL A 47 -12.512 -18.664 -3.500 1.00 0.00 C ATOM 735 CG2 VAL A 47 -12.198 -19.524 -5.824 1.00 0.00 C ATOM 0 H VAL A 47 -11.843 -16.959 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.803 -18.227 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.168 -20.249 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.363 -19.332 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.026 -18.499 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.858 -17.711 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.047 -20.194 -5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.546 -18.571 -6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.488 -19.970 -6.520 1.00 0.00 H new ATOM 745 N VAL A 48 -9.151 -20.235 -5.601 1.00 0.00 N ATOM 746 CA VAL A 48 -8.180 -20.923 -6.497 1.00 0.00 C ATOM 747 C VAL A 48 -7.918 -22.304 -5.902 1.00 0.00 C ATOM 748 O VAL A 48 -7.963 -23.325 -6.558 1.00 0.00 O ATOM 749 CB VAL A 48 -6.866 -20.099 -6.528 1.00 0.00 C ATOM 750 CG1 VAL A 48 -5.781 -20.698 -5.623 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.349 -20.018 -7.964 1.00 0.00 C ATOM 0 H VAL A 48 -9.642 -20.854 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.564 -21.015 -7.513 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.093 -19.102 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.881 -20.085 -5.679 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.139 -20.723 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.551 -21.711 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.426 -19.439 -7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.156 -21.023 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.096 -19.534 -8.593 1.00 0.00 H new ATOM 761 N ALA A 49 -7.619 -22.282 -4.644 1.00 0.00 N ATOM 762 CA ALA A 49 -7.296 -23.511 -3.868 1.00 0.00 C ATOM 763 C ALA A 49 -6.371 -23.059 -2.741 1.00 0.00 C ATOM 764 O ALA A 49 -5.328 -23.628 -2.486 1.00 0.00 O ATOM 765 CB ALA A 49 -6.584 -24.535 -4.755 1.00 0.00 C ATOM 0 H ALA A 49 -7.582 -21.425 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.198 -23.989 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.356 -25.426 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.230 -24.804 -5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.658 -24.105 -5.136 1.00 0.00 H new ATOM 771 N GLY A 50 -6.761 -21.994 -2.101 1.00 0.00 N ATOM 772 CA GLY A 50 -5.958 -21.391 -1.004 1.00 0.00 C ATOM 773 C GLY A 50 -6.478 -19.965 -0.816 1.00 0.00 C ATOM 774 O GLY A 50 -6.455 -19.421 0.269 1.00 0.00 O ATOM 0 H GLY A 50 -7.632 -21.501 -2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.064 -21.967 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.898 -21.387 -1.257 1.00 0.00 H new ATOM 778 N THR A 51 -6.965 -19.393 -1.901 1.00 0.00 N ATOM 779 CA THR A 51 -7.554 -18.018 -1.911 1.00 0.00 C ATOM 780 C THR A 51 -6.587 -17.015 -2.544 1.00 0.00 C ATOM 781 O THR A 51 -5.750 -16.438 -1.880 1.00 0.00 O ATOM 782 CB THR A 51 -7.898 -17.572 -0.500 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.609 -18.608 0.165 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.764 -16.316 -0.560 1.00 0.00 C ATOM 0 H THR A 51 -6.975 -19.848 -2.814 1.00 0.00 H new ATOM 0 HA THR A 51 -8.466 -18.052 -2.507 1.00 0.00 H new ATOM 0 HB THR A 51 -6.980 -17.354 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.993 -19.113 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.011 -15.996 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.218 -15.522 -1.069 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.682 -16.533 -1.106 1.00 0.00 H new ATOM 792 N ASN A 52 -6.710 -16.794 -3.828 1.00 0.00 N ATOM 793 CA ASN A 52 -5.808 -15.816 -4.508 1.00 0.00 C ATOM 794 C ASN A 52 -6.169 -14.380 -4.097 1.00 0.00 C ATOM 795 O ASN A 52 -7.259 -14.107 -3.636 1.00 0.00 O ATOM 796 CB ASN A 52 -5.982 -15.945 -6.020 1.00 0.00 C ATOM 797 CG ASN A 52 -4.628 -16.239 -6.668 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.176 -15.500 -7.519 1.00 0.00 O ATOM 799 ND2 ASN A 52 -3.957 -17.296 -6.299 1.00 0.00 N ATOM 0 H ASN A 52 -7.394 -17.247 -4.434 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.778 -16.027 -4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.687 -16.744 -6.248 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.400 -15.025 -6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.053 -17.501 -6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.336 -17.917 -5.584 1.00 0.00 H new ATOM 806 N TYR A 53 -5.262 -13.454 -4.293 1.00 0.00 N ATOM 807 CA TYR A 53 -5.545 -12.026 -3.953 1.00 0.00 C ATOM 808 C TYR A 53 -4.796 -11.124 -4.933 1.00 0.00 C ATOM 809 O TYR A 53 -3.615 -11.279 -5.158 1.00 0.00 O ATOM 810 CB TYR A 53 -5.071 -11.686 -2.536 1.00 0.00 C ATOM 811 CG TYR A 53 -5.546 -12.720 -1.543 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.915 -12.921 -1.332 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.610 -13.467 -0.817 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.345 -13.872 -0.398 1.00 0.00 C ATOM 815 CE2 TYR A 53 -5.040 -14.416 0.115 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.407 -14.619 0.327 1.00 0.00 C ATOM 817 OH TYR A 53 -6.829 -15.554 1.249 1.00 0.00 O ATOM 0 H TYR A 53 -4.333 -13.628 -4.676 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.622 -11.870 -4.014 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.983 -11.631 -2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.445 -10.703 -2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.639 -12.344 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.554 -13.310 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.401 -14.030 -0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.316 -14.993 0.672 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.050 -15.982 1.661 1.00 0.00 H new ATOM 827 N TYR A 54 -5.484 -10.184 -5.511 1.00 0.00 N ATOM 828 CA TYR A 54 -4.838 -9.255 -6.481 1.00 0.00 C ATOM 829 C TYR A 54 -4.659 -7.881 -5.822 1.00 0.00 C ATOM 830 O TYR A 54 -5.536 -7.045 -5.876 1.00 0.00 O ATOM 831 CB TYR A 54 -5.761 -9.125 -7.693 1.00 0.00 C ATOM 832 CG TYR A 54 -4.991 -9.397 -8.963 1.00 0.00 C ATOM 833 CD1 TYR A 54 -3.838 -8.662 -9.256 1.00 0.00 C ATOM 834 CD2 TYR A 54 -5.439 -10.381 -9.854 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.130 -8.911 -10.439 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.732 -10.629 -11.035 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.578 -9.894 -11.329 1.00 0.00 C ATOM 838 OH TYR A 54 -2.882 -10.137 -12.495 1.00 0.00 O ATOM 0 H TYR A 54 -6.477 -10.016 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.862 -9.634 -6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.591 -9.826 -7.605 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.191 -8.124 -7.727 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.493 -7.902 -8.570 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.330 -10.948 -9.629 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.239 -8.344 -10.664 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.077 -11.389 -11.721 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.327 -10.850 -12.999 1.00 0.00 H new ATOM 848 N ILE A 55 -3.545 -7.632 -5.183 1.00 0.00 N ATOM 849 CA ILE A 55 -3.367 -6.315 -4.511 1.00 0.00 C ATOM 850 C ILE A 55 -2.762 -5.296 -5.470 1.00 0.00 C ATOM 851 O ILE A 55 -1.563 -5.169 -5.588 1.00 0.00 O ATOM 852 CB ILE A 55 -2.441 -6.482 -3.300 1.00 0.00 C ATOM 853 CG1 ILE A 55 -3.207 -7.143 -2.148 1.00 0.00 C ATOM 854 CG2 ILE A 55 -1.941 -5.111 -2.836 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.063 -8.293 -2.679 1.00 0.00 C ATOM 0 H ILE A 55 -2.760 -8.278 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.344 -5.955 -4.189 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.595 -7.106 -3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.506 -7.516 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.840 -6.407 -1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.284 -5.236 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.392 -4.631 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.791 -4.489 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.603 -8.756 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.776 -7.909 -3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.421 -9.035 -3.154 1.00 0.00 H new ATOM 867 N LYS A 56 -3.593 -4.528 -6.104 1.00 0.00 N ATOM 868 CA LYS A 56 -3.093 -3.472 -7.008 1.00 0.00 C ATOM 869 C LYS A 56 -2.611 -2.340 -6.101 1.00 0.00 C ATOM 870 O LYS A 56 -3.404 -1.715 -5.428 1.00 0.00 O ATOM 871 CB LYS A 56 -4.254 -2.991 -7.870 1.00 0.00 C ATOM 872 CG LYS A 56 -3.726 -2.300 -9.123 1.00 0.00 C ATOM 873 CD LYS A 56 -4.797 -2.343 -10.212 1.00 0.00 C ATOM 874 CE LYS A 56 -5.391 -0.947 -10.402 1.00 0.00 C ATOM 875 NZ LYS A 56 -6.865 -1.001 -10.183 1.00 0.00 N ATOM 0 H LYS A 56 -4.609 -4.589 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.292 -3.820 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.884 -3.836 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.878 -2.302 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.461 -1.267 -8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.818 -2.794 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.364 -2.696 -11.148 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.581 -3.049 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.934 -0.247 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.175 -0.581 -11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.270 -0.052 -10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.294 -1.656 -10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.060 -1.332 -9.217 1.00 0.00 H new ATOM 889 N VAL A 57 -1.334 -2.080 -6.024 1.00 0.00 N ATOM 890 CA VAL A 57 -0.891 -1.005 -5.087 1.00 0.00 C ATOM 891 C VAL A 57 -0.773 0.339 -5.817 1.00 0.00 C ATOM 892 O VAL A 57 -0.359 0.423 -6.955 1.00 0.00 O ATOM 893 CB VAL A 57 0.433 -1.393 -4.388 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.131 -2.519 -5.140 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.360 -0.181 -4.284 1.00 0.00 C ATOM 0 H VAL A 57 -0.597 -2.548 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.649 -0.892 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 57 0.195 -1.741 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.060 -2.776 -4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.481 -3.393 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.352 -2.195 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.286 -0.473 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.584 0.193 -5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.871 0.602 -3.705 1.00 0.00 H new ATOM 905 N ARG A 58 -1.152 1.386 -5.135 1.00 0.00 N ATOM 906 CA ARG A 58 -1.100 2.759 -5.712 1.00 0.00 C ATOM 907 C ARG A 58 0.243 3.413 -5.379 1.00 0.00 C ATOM 908 O ARG A 58 0.741 3.286 -4.275 1.00 0.00 O ATOM 909 CB ARG A 58 -2.264 3.563 -5.082 1.00 0.00 C ATOM 910 CG ARG A 58 -1.792 4.813 -4.299 1.00 0.00 C ATOM 911 CD ARG A 58 -2.533 4.914 -2.962 1.00 0.00 C ATOM 912 NE ARG A 58 -3.954 4.533 -3.160 1.00 0.00 N ATOM 913 CZ ARG A 58 -4.901 5.201 -2.560 1.00 0.00 C ATOM 914 NH1 ARG A 58 -4.647 5.843 -1.453 1.00 0.00 N ATOM 915 NH2 ARG A 58 -6.102 5.231 -3.068 1.00 0.00 N ATOM 0 H ARG A 58 -1.504 1.345 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.198 2.732 -6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.950 3.874 -5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.824 2.912 -4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.718 4.756 -4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.972 5.711 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.068 4.259 -2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.468 5.930 -2.572 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.191 3.748 -3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.708 5.823 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.388 6.365 -0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.302 4.732 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.842 5.753 -2.598 1.00 0.00 H new ATOM 929 N ALA A 59 0.807 4.161 -6.287 1.00 0.00 N ATOM 930 CA ALA A 59 2.072 4.849 -5.964 1.00 0.00 C ATOM 931 C ALA A 59 1.929 6.310 -6.373 1.00 0.00 C ATOM 932 O ALA A 59 2.897 6.993 -6.620 1.00 0.00 O ATOM 933 CB ALA A 59 3.227 4.199 -6.719 1.00 0.00 C ATOM 0 H ALA A 59 0.445 4.320 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 59 2.283 4.777 -4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.157 4.713 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.306 3.151 -6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.045 4.268 -7.792 1.00 0.00 H new ATOM 939 N GLY A 60 0.722 6.805 -6.429 1.00 0.00 N ATOM 940 CA GLY A 60 0.536 8.233 -6.806 1.00 0.00 C ATOM 941 C GLY A 60 -0.213 8.315 -8.136 1.00 0.00 C ATOM 942 O GLY A 60 -1.020 7.467 -8.459 1.00 0.00 O ATOM 0 H GLY A 60 -0.135 6.287 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.022 8.756 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.504 8.727 -6.890 1.00 0.00 H new ATOM 946 N ASP A 61 0.050 9.329 -8.913 1.00 0.00 N ATOM 947 CA ASP A 61 -0.645 9.462 -10.223 1.00 0.00 C ATOM 948 C ASP A 61 0.279 8.972 -11.339 1.00 0.00 C ATOM 949 O ASP A 61 -0.166 8.456 -12.346 1.00 0.00 O ATOM 950 CB ASP A 61 -1.001 10.929 -10.463 1.00 0.00 C ATOM 951 CG ASP A 61 -2.405 11.022 -11.065 1.00 0.00 C ATOM 952 OD1 ASP A 61 -2.835 10.050 -11.666 1.00 0.00 O ATOM 953 OD2 ASP A 61 -3.027 12.060 -10.915 1.00 0.00 O ATOM 0 H ASP A 61 0.716 10.071 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.556 8.864 -10.216 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.959 11.483 -9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.275 11.385 -11.135 1.00 0.00 H new ATOM 958 N ASN A 62 1.561 9.136 -11.170 1.00 0.00 N ATOM 959 CA ASN A 62 2.516 8.689 -12.214 1.00 0.00 C ATOM 960 C ASN A 62 3.154 7.358 -11.807 1.00 0.00 C ATOM 961 O ASN A 62 3.514 6.553 -12.641 1.00 0.00 O ATOM 962 CB ASN A 62 3.605 9.747 -12.395 1.00 0.00 C ATOM 963 CG ASN A 62 4.291 10.001 -11.052 1.00 0.00 C ATOM 964 OD1 ASN A 62 5.363 9.490 -10.798 1.00 0.00 O ATOM 965 ND2 ASN A 62 3.713 10.776 -10.176 1.00 0.00 N ATOM 0 H ASN A 62 1.988 9.563 -10.348 1.00 0.00 H new ATOM 0 HA ASN A 62 1.980 8.552 -13.153 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.335 9.412 -13.132 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.170 10.672 -12.775 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.162 10.953 -9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.813 11.205 -10.390 1.00 0.00 H new ATOM 972 N LYS A 63 3.287 7.110 -10.531 1.00 0.00 N ATOM 973 CA LYS A 63 3.890 5.825 -10.086 1.00 0.00 C ATOM 974 C LYS A 63 2.750 4.870 -9.705 1.00 0.00 C ATOM 975 O LYS A 63 1.668 5.292 -9.330 1.00 0.00 O ATOM 976 CB LYS A 63 4.812 6.080 -8.894 1.00 0.00 C ATOM 977 CG LYS A 63 5.879 7.099 -9.287 1.00 0.00 C ATOM 978 CD LYS A 63 5.761 8.322 -8.379 1.00 0.00 C ATOM 979 CE LYS A 63 7.074 9.105 -8.398 1.00 0.00 C ATOM 980 NZ LYS A 63 6.814 10.501 -8.847 1.00 0.00 N ATOM 0 H LYS A 63 3.004 7.741 -9.781 1.00 0.00 H new ATOM 0 HA LYS A 63 4.485 5.379 -10.883 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.235 6.450 -8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.282 5.149 -8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.872 6.658 -9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.754 7.391 -10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.942 8.958 -8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.527 8.010 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.522 9.109 -7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.787 8.623 -9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.701 11.043 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.437 10.489 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.122 10.947 -8.211 1.00 0.00 H new ATOM 994 N TYR A 64 2.955 3.588 -9.816 1.00 0.00 N ATOM 995 CA TYR A 64 1.854 2.649 -9.498 1.00 0.00 C ATOM 996 C TYR A 64 2.436 1.242 -9.412 1.00 0.00 C ATOM 997 O TYR A 64 3.181 0.817 -10.272 1.00 0.00 O ATOM 998 CB TYR A 64 0.823 2.774 -10.623 1.00 0.00 C ATOM 999 CG TYR A 64 -0.021 1.531 -10.755 1.00 0.00 C ATOM 1000 CD1 TYR A 64 0.483 0.414 -11.427 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.326 1.518 -10.248 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -0.318 -0.719 -11.597 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.124 0.381 -10.408 1.00 0.00 C ATOM 1004 CZ TYR A 64 -1.621 -0.736 -11.086 1.00 0.00 C ATOM 1005 OH TYR A 64 -2.416 -1.845 -11.266 1.00 0.00 O ATOM 0 H TYR A 64 3.831 3.156 -10.111 1.00 0.00 H new ATOM 0 HA TYR A 64 1.373 2.870 -8.545 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.178 3.632 -10.431 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.336 2.966 -11.565 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.491 0.426 -11.815 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.716 2.384 -9.734 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.068 -1.580 -12.122 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.127 0.364 -10.009 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.874 -2.656 -11.168 1.00 0.00 H new ATOM 1015 N LEU A 65 2.135 0.531 -8.366 1.00 0.00 N ATOM 1016 CA LEU A 65 2.714 -0.828 -8.214 1.00 0.00 C ATOM 1017 C LEU A 65 1.635 -1.884 -8.325 1.00 0.00 C ATOM 1018 O LEU A 65 0.489 -1.602 -8.621 1.00 0.00 O ATOM 1019 CB LEU A 65 3.386 -0.951 -6.844 1.00 0.00 C ATOM 1020 CG LEU A 65 4.296 0.265 -6.603 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.513 1.347 -5.858 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.500 -0.134 -5.737 1.00 0.00 C ATOM 0 H LEU A 65 1.516 0.830 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 65 3.446 -0.979 -9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.630 -1.012 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.970 -1.870 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 65 4.641 0.635 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.157 2.209 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.653 1.650 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.170 0.954 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.136 0.736 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.148 -0.511 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.072 -0.911 -6.245 1.00 0.00 H new ATOM 1034 N HIS A 66 1.989 -3.114 -8.077 1.00 0.00 N ATOM 1035 CA HIS A 66 0.982 -4.182 -8.167 1.00 0.00 C ATOM 1036 C HIS A 66 1.462 -5.435 -7.435 1.00 0.00 C ATOM 1037 O HIS A 66 2.639 -5.691 -7.307 1.00 0.00 O ATOM 1038 CB HIS A 66 0.749 -4.501 -9.631 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.612 -5.087 -9.771 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.593 -4.471 -10.511 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -1.186 -6.203 -9.231 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.702 -5.208 -10.393 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.513 -6.280 -9.624 1.00 0.00 N ATOM 0 H HIS A 66 2.929 -3.415 -7.818 1.00 0.00 H new ATOM 0 HA HIS A 66 0.055 -3.849 -7.700 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.838 -3.598 -10.235 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.503 -5.201 -9.992 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.683 -6.916 -8.595 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.642 -4.963 -10.866 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.194 -6.998 -9.379 1.00 0.00 H new ATOM 1051 N LEU A 67 0.535 -6.206 -6.949 1.00 0.00 N ATOM 1052 CA LEU A 67 0.877 -7.450 -6.209 1.00 0.00 C ATOM 1053 C LEU A 67 -0.292 -8.411 -6.287 1.00 0.00 C ATOM 1054 O LEU A 67 -1.413 -8.035 -6.556 1.00 0.00 O ATOM 1055 CB LEU A 67 1.086 -7.111 -4.738 1.00 0.00 C ATOM 1056 CG LEU A 67 1.153 -8.398 -3.906 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.420 -9.170 -4.243 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.179 -8.023 -2.428 1.00 0.00 C ATOM 0 H LEU A 67 -0.465 -6.024 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 67 1.775 -7.891 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.007 -6.541 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.271 -6.481 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 67 0.285 -9.020 -4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.459 -10.082 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.418 -9.428 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.291 -8.554 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.227 -8.929 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.053 -7.405 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.276 -7.467 -2.178 1.00 0.00 H new ATOM 1070 N LYS A 68 -0.033 -9.639 -5.998 1.00 0.00 N ATOM 1071 CA LYS A 68 -1.081 -10.645 -5.971 1.00 0.00 C ATOM 1072 C LYS A 68 -0.838 -11.443 -4.730 1.00 0.00 C ATOM 1073 O LYS A 68 0.056 -12.271 -4.715 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.884 -11.572 -7.120 1.00 0.00 C ATOM 1075 CG LYS A 68 -2.117 -12.435 -7.332 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.993 -13.676 -6.444 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.385 -14.854 -7.218 1.00 0.00 C ATOM 1078 NZ LYS A 68 -1.784 -14.791 -8.654 1.00 0.00 N ATOM 0 H LYS A 68 0.898 -9.990 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.072 -10.193 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.675 -11.000 -8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.017 -12.207 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.019 -11.877 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.203 -12.724 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.371 -13.446 -5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.976 -13.955 -6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.298 -14.831 -7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.719 -15.796 -6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.481 -15.661 -9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.818 -14.698 -8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.332 -13.970 -9.104 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.568 -11.233 -3.689 1.00 0.00 N ATOM 1093 CA VAL A 69 -1.269 -12.042 -2.505 1.00 0.00 C ATOM 1094 C VAL A 69 -1.970 -13.384 -2.659 1.00 0.00 C ATOM 1095 O VAL A 69 -3.125 -13.454 -3.031 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.729 -11.343 -1.223 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -1.070 -12.010 -0.015 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -1.324 -9.870 -1.267 1.00 0.00 C ATOM 0 H VAL A 69 -2.331 -10.561 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.191 -12.184 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.813 -11.420 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.397 -11.513 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.356 -13.061 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.014 -11.932 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.653 -9.375 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.240 -9.793 -1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.790 -9.390 -2.128 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.287 -14.457 -2.407 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.931 -15.781 -2.575 1.00 0.00 C ATOM 1110 C PHE A 70 -1.594 -16.689 -1.397 1.00 0.00 C ATOM 1111 O PHE A 70 -0.460 -17.048 -1.185 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.411 -16.403 -3.868 1.00 0.00 C ATOM 1113 CG PHE A 70 -1.983 -17.792 -4.029 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.169 -18.143 -3.369 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.330 -18.727 -4.838 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.699 -19.430 -3.519 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -1.861 -20.015 -4.989 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.045 -20.365 -4.330 1.00 0.00 C ATOM 0 H PHE A 70 -0.316 -14.476 -2.094 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.014 -15.662 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.691 -15.783 -4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.322 -16.447 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.674 -17.421 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.416 -18.457 -5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.612 -19.701 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.357 -20.737 -5.614 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.455 -21.357 -4.447 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.577 -17.081 -0.634 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.304 -17.979 0.518 1.00 0.00 C ATOM 1130 C LYS A 71 -2.395 -19.425 0.035 1.00 0.00 C ATOM 1131 O LYS A 71 -3.346 -20.127 0.313 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.338 -17.733 1.619 1.00 0.00 C ATOM 1133 CG LYS A 71 -2.731 -16.835 2.698 1.00 0.00 C ATOM 1134 CD LYS A 71 -1.863 -17.675 3.637 1.00 0.00 C ATOM 1135 CE LYS A 71 -0.783 -16.794 4.267 1.00 0.00 C ATOM 1136 NZ LYS A 71 -0.793 -16.977 5.746 1.00 0.00 N ATOM 0 H LYS A 71 -3.554 -16.818 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.310 -17.782 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.228 -17.264 1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.653 -18.681 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.131 -16.050 2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.522 -16.342 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.481 -18.123 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.402 -18.494 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.195 -17.056 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.961 -15.748 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.059 -16.378 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.724 -16.707 6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.603 -17.974 5.974 1.00 0.00 H new ATOM 1150 N SER A 72 -1.413 -19.861 -0.704 1.00 0.00 N ATOM 1151 CA SER A 72 -1.430 -21.252 -1.234 1.00 0.00 C ATOM 1152 C SER A 72 -1.946 -22.216 -0.166 1.00 0.00 C ATOM 1153 O SER A 72 -1.323 -22.428 0.855 1.00 0.00 O ATOM 1154 CB SER A 72 -0.015 -21.664 -1.646 1.00 0.00 C ATOM 1155 OG SER A 72 0.047 -21.781 -3.059 1.00 0.00 O ATOM 0 H SER A 72 -0.595 -19.310 -0.965 1.00 0.00 H new ATOM 0 HA SER A 72 -2.090 -21.290 -2.100 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.707 -20.925 -1.299 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.250 -22.613 -1.179 1.00 0.00 H new ATOM 0 HG SER A 72 -0.533 -21.105 -3.469 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.075 -22.806 -0.415 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.659 -23.776 0.549 1.00 0.00 C ATOM 1163 C LEU A 73 -4.688 -24.618 -0.205 1.00 0.00 C ATOM 1164 O LEU A 73 -5.866 -24.569 0.084 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.325 -23.019 1.701 1.00 0.00 C ATOM 1166 CG LEU A 73 -5.208 -23.975 2.500 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.862 -23.872 3.986 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.672 -23.594 2.290 1.00 0.00 C ATOM 0 H LEU A 73 -3.628 -22.656 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.886 -24.420 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.566 -22.582 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.923 -22.196 1.311 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.041 -24.998 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.493 -24.555 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.815 -24.136 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.031 -22.851 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.309 -24.272 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.835 -22.572 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.918 -23.666 1.231 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.202 -25.349 -1.183 1.00 0.00 N ATOM 1181 CA PRO A 74 -5.047 -26.204 -2.035 1.00 0.00 C ATOM 1182 C PRO A 74 -5.356 -27.530 -1.331 1.00 0.00 C ATOM 1183 O PRO A 74 -5.216 -28.593 -1.900 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.174 -26.443 -3.271 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.710 -26.228 -2.817 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.767 -25.387 -1.530 1.00 0.00 C ATOM 0 HA PRO A 74 -6.011 -25.753 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.317 -27.452 -3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.438 -25.753 -4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.217 -27.183 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.136 -25.716 -3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.177 -25.839 -0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.370 -24.385 -1.692 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.774 -27.476 -0.095 1.00 0.00 N ATOM 1195 CA GLY A 75 -6.087 -28.733 0.642 1.00 0.00 C ATOM 1196 C GLY A 75 -4.826 -29.249 1.336 1.00 0.00 C ATOM 1197 O GLY A 75 -4.894 -29.964 2.316 1.00 0.00 O ATOM 0 H GLY A 75 -5.912 -26.616 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.870 -28.550 1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.468 -29.486 -0.048 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.672 -28.896 0.833 1.00 0.00 N ATOM 1202 CA GLN A 76 -2.408 -29.370 1.465 1.00 0.00 C ATOM 1203 C GLN A 76 -1.828 -28.268 2.352 1.00 0.00 C ATOM 1204 O GLN A 76 -1.212 -28.533 3.364 1.00 0.00 O ATOM 1205 CB GLN A 76 -1.395 -29.732 0.372 1.00 0.00 C ATOM 1206 CG GLN A 76 -0.003 -29.888 0.988 1.00 0.00 C ATOM 1207 CD GLN A 76 0.636 -31.185 0.488 1.00 0.00 C ATOM 1208 OE1 GLN A 76 0.056 -31.893 -0.311 1.00 0.00 O ATOM 1209 NE2 GLN A 76 1.816 -31.529 0.927 1.00 0.00 N ATOM 0 H GLN A 76 -3.551 -28.301 0.013 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.618 -30.249 2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.692 -30.659 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.379 -28.956 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.622 -29.036 0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.075 -29.902 2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.304 -30.935 1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.251 -32.392 0.599 1.00 0.00 H new ATOM 1218 N ASN A 77 -2.016 -27.031 1.980 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.470 -25.917 2.805 1.00 0.00 C ATOM 1220 C ASN A 77 0.053 -26.053 2.884 1.00 0.00 C ATOM 1221 O ASN A 77 0.584 -26.646 3.801 1.00 0.00 O ATOM 1222 CB ASN A 77 -2.058 -25.993 4.216 1.00 0.00 C ATOM 1223 CG ASN A 77 -1.349 -24.982 5.117 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -0.776 -25.346 6.126 1.00 0.00 O ATOM 1225 ND2 ASN A 77 -1.365 -23.717 4.795 1.00 0.00 N ATOM 0 H ASN A 77 -2.523 -26.745 1.142 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.733 -24.961 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.127 -25.784 4.188 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.940 -27.000 4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.897 -23.033 5.390 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.846 -23.412 3.949 1.00 0.00 H new ATOM 1232 N GLU A 78 0.759 -25.515 1.926 1.00 0.00 N ATOM 1233 CA GLU A 78 2.246 -25.625 1.953 1.00 0.00 C ATOM 1234 C GLU A 78 2.876 -24.288 1.558 1.00 0.00 C ATOM 1235 O GLU A 78 3.297 -24.095 0.434 1.00 0.00 O ATOM 1236 CB GLU A 78 2.695 -26.709 0.969 1.00 0.00 C ATOM 1237 CG GLU A 78 3.065 -27.978 1.741 1.00 0.00 C ATOM 1238 CD GLU A 78 4.293 -28.626 1.101 1.00 0.00 C ATOM 1239 OE1 GLU A 78 4.514 -28.394 -0.077 1.00 0.00 O ATOM 1240 OE2 GLU A 78 4.993 -29.342 1.798 1.00 0.00 O ATOM 0 H GLU A 78 0.373 -25.007 1.130 1.00 0.00 H new ATOM 0 HA GLU A 78 2.566 -25.888 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.897 -26.923 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.551 -26.359 0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.271 -27.735 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.228 -28.676 1.736 1.00 0.00 H new ATOM 1247 N ASP A 79 2.957 -23.366 2.478 1.00 0.00 N ATOM 1248 CA ASP A 79 3.572 -22.047 2.161 1.00 0.00 C ATOM 1249 C ASP A 79 2.653 -21.255 1.227 1.00 0.00 C ATOM 1250 O ASP A 79 2.057 -21.800 0.320 1.00 0.00 O ATOM 1251 CB ASP A 79 4.921 -22.269 1.473 1.00 0.00 C ATOM 1252 CG ASP A 79 5.977 -21.370 2.114 1.00 0.00 C ATOM 1253 OD1 ASP A 79 5.979 -20.186 1.820 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.770 -21.879 2.889 1.00 0.00 O ATOM 0 H ASP A 79 2.623 -23.470 3.436 1.00 0.00 H new ATOM 0 HA ASP A 79 3.716 -21.487 3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.217 -23.314 1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.839 -22.049 0.409 1.00 0.00 H new ATOM 1259 N LEU A 80 2.543 -19.972 1.439 1.00 0.00 N ATOM 1260 CA LEU A 80 1.672 -19.143 0.561 1.00 0.00 C ATOM 1261 C LEU A 80 2.364 -18.901 -0.770 1.00 0.00 C ATOM 1262 O LEU A 80 3.075 -19.745 -1.276 1.00 0.00 O ATOM 1263 CB LEU A 80 1.358 -17.814 1.242 1.00 0.00 C ATOM 1264 CG LEU A 80 2.614 -16.957 1.300 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.257 -15.508 0.969 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.189 -17.045 2.706 1.00 0.00 C ATOM 0 H LEU A 80 3.019 -19.462 2.183 1.00 0.00 H new ATOM 0 HA LEU A 80 0.737 -19.673 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.574 -17.290 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.980 -17.991 2.249 1.00 0.00 H new ATOM 0 HG LEU A 80 3.349 -17.310 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.156 -14.893 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.829 -15.458 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.531 -15.138 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.091 -16.437 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.454 -16.679 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.434 -18.082 2.935 1.00 0.00 H new ATOM 1278 N VAL A 81 2.135 -17.768 -1.352 1.00 0.00 N ATOM 1279 CA VAL A 81 2.743 -17.473 -2.669 1.00 0.00 C ATOM 1280 C VAL A 81 2.289 -16.083 -3.121 1.00 0.00 C ATOM 1281 O VAL A 81 1.264 -15.590 -2.698 1.00 0.00 O ATOM 1282 CB VAL A 81 2.262 -18.559 -3.642 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.910 -17.966 -5.013 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.365 -19.604 -3.818 1.00 0.00 C ATOM 0 H VAL A 81 1.548 -17.026 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 81 3.832 -17.475 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 81 1.365 -19.016 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.573 -18.761 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.115 -17.229 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.791 -17.486 -5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.027 -20.377 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.259 -19.126 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.596 -20.055 -2.853 1.00 0.00 H new ATOM 1294 N LEU A 82 3.029 -15.455 -3.987 1.00 0.00 N ATOM 1295 CA LEU A 82 2.619 -14.120 -4.466 1.00 0.00 C ATOM 1296 C LEU A 82 2.951 -13.995 -5.935 1.00 0.00 C ATOM 1297 O LEU A 82 3.875 -13.310 -6.325 1.00 0.00 O ATOM 1298 CB LEU A 82 3.336 -13.026 -3.690 1.00 0.00 C ATOM 1299 CG LEU A 82 2.359 -12.442 -2.687 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.207 -13.392 -1.498 1.00 0.00 C ATOM 1301 CD2 LEU A 82 2.870 -11.089 -2.192 1.00 0.00 C ATOM 0 H LEU A 82 3.899 -15.812 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 82 1.546 -14.007 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.209 -13.432 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.695 -12.251 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 82 1.392 -12.309 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.504 -12.968 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.833 -14.354 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.176 -13.532 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.164 -10.675 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.841 -11.219 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.970 -10.407 -3.036 1.00 0.00 H new ATOM 1313 N THR A 83 2.184 -14.635 -6.762 1.00 0.00 N ATOM 1314 CA THR A 83 2.434 -14.535 -8.214 1.00 0.00 C ATOM 1315 C THR A 83 2.370 -13.063 -8.629 1.00 0.00 C ATOM 1316 O THR A 83 2.724 -12.714 -9.737 1.00 0.00 O ATOM 1317 CB THR A 83 1.374 -15.328 -8.970 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.908 -16.395 -8.157 1.00 0.00 O ATOM 1319 CG2 THR A 83 1.975 -15.891 -10.259 1.00 0.00 C ATOM 0 H THR A 83 1.395 -15.223 -6.493 1.00 0.00 H new ATOM 0 HA THR A 83 3.418 -14.941 -8.449 1.00 0.00 H new ATOM 0 HB THR A 83 0.540 -14.671 -9.218 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.225 -16.903 -8.643 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.215 -16.457 -10.798 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.328 -15.071 -10.885 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.811 -16.546 -10.015 1.00 0.00 H new ATOM 1327 N GLY A 84 1.930 -12.183 -7.753 1.00 0.00 N ATOM 1328 CA GLY A 84 1.869 -10.748 -8.139 1.00 0.00 C ATOM 1329 C GLY A 84 2.988 -9.993 -7.441 1.00 0.00 C ATOM 1330 O GLY A 84 3.367 -10.314 -6.334 1.00 0.00 O ATOM 0 H GLY A 84 1.618 -12.399 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.965 -10.646 -9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.903 -10.326 -7.863 1.00 0.00 H new ATOM 1334 N TYR A 85 3.514 -8.992 -8.081 1.00 0.00 N ATOM 1335 CA TYR A 85 4.610 -8.201 -7.466 1.00 0.00 C ATOM 1336 C TYR A 85 5.082 -7.158 -8.477 1.00 0.00 C ATOM 1337 O TYR A 85 5.479 -7.490 -9.575 1.00 0.00 O ATOM 1338 CB TYR A 85 5.772 -9.128 -7.107 1.00 0.00 C ATOM 1339 CG TYR A 85 5.972 -10.132 -8.218 1.00 0.00 C ATOM 1340 CD1 TYR A 85 6.799 -9.820 -9.304 1.00 0.00 C ATOM 1341 CD2 TYR A 85 5.327 -11.373 -8.164 1.00 0.00 C ATOM 1342 CE1 TYR A 85 6.981 -10.749 -10.336 1.00 0.00 C ATOM 1343 CE2 TYR A 85 5.509 -12.302 -9.196 1.00 0.00 C ATOM 1344 CZ TYR A 85 6.336 -11.990 -10.281 1.00 0.00 C ATOM 1345 OH TYR A 85 6.515 -12.905 -11.299 1.00 0.00 O ATOM 0 H TYR A 85 3.230 -8.685 -9.011 1.00 0.00 H new ATOM 0 HA TYR A 85 4.254 -7.710 -6.560 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.682 -8.548 -6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.565 -9.643 -6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.297 -8.862 -9.346 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.689 -11.614 -7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.619 -10.508 -11.174 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.011 -13.259 -9.155 1.00 0.00 H new ATOM 0 HH TYR A 85 5.998 -13.715 -11.106 1.00 0.00 H new ATOM 1355 N GLN A 86 5.038 -5.900 -8.132 1.00 0.00 N ATOM 1356 CA GLN A 86 5.484 -4.867 -9.113 1.00 0.00 C ATOM 1357 C GLN A 86 5.928 -3.590 -8.395 1.00 0.00 C ATOM 1358 O GLN A 86 5.437 -3.258 -7.334 1.00 0.00 O ATOM 1359 CB GLN A 86 4.336 -4.537 -10.067 1.00 0.00 C ATOM 1360 CG GLN A 86 4.547 -5.273 -11.394 1.00 0.00 C ATOM 1361 CD GLN A 86 5.924 -4.920 -11.962 1.00 0.00 C ATOM 1362 OE1 GLN A 86 6.670 -5.790 -12.362 1.00 0.00 O ATOM 1363 NE2 GLN A 86 6.295 -3.671 -12.016 1.00 0.00 N ATOM 0 H GLN A 86 4.719 -5.546 -7.230 1.00 0.00 H new ATOM 0 HA GLN A 86 6.330 -5.266 -9.672 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.385 -4.830 -9.623 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.289 -3.462 -10.239 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.470 -6.349 -11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.767 -4.996 -12.104 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.670 -2.938 -11.680 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.210 -3.427 -12.394 1.00 0.00 H new ATOM 1372 N VAL A 87 6.847 -2.870 -8.990 1.00 0.00 N ATOM 1373 CA VAL A 87 7.344 -1.605 -8.386 1.00 0.00 C ATOM 1374 C VAL A 87 6.572 -0.430 -9.004 1.00 0.00 C ATOM 1375 O VAL A 87 5.370 -0.476 -9.091 1.00 0.00 O ATOM 1376 CB VAL A 87 8.849 -1.487 -8.649 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.103 -1.258 -10.141 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.427 -0.324 -7.836 1.00 0.00 C ATOM 0 H VAL A 87 7.277 -3.113 -9.882 1.00 0.00 H new ATOM 0 HA VAL A 87 7.184 -1.596 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 87 9.338 -2.413 -8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.175 -1.175 -10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.704 -2.097 -10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.611 -0.338 -10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.497 -0.244 -8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.936 0.604 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.260 -0.504 -6.774 1.00 0.00 H new ATOM 1388 N ASP A 88 7.216 0.624 -9.436 1.00 0.00 N ATOM 1389 CA ASP A 88 6.437 1.744 -10.013 1.00 0.00 C ATOM 1390 C ASP A 88 7.217 2.439 -11.131 1.00 0.00 C ATOM 1391 O ASP A 88 7.894 1.804 -11.913 1.00 0.00 O ATOM 1392 CB ASP A 88 6.129 2.747 -8.905 1.00 0.00 C ATOM 1393 CG ASP A 88 7.407 3.502 -8.537 1.00 0.00 C ATOM 1394 OD1 ASP A 88 8.446 2.866 -8.462 1.00 0.00 O ATOM 1395 OD2 ASP A 88 7.326 4.702 -8.335 1.00 0.00 O ATOM 0 H ASP A 88 8.228 0.751 -9.413 1.00 0.00 H new ATOM 0 HA ASP A 88 5.514 1.351 -10.439 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.362 3.447 -9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.734 2.230 -8.031 1.00 0.00 H new ATOM 1400 N LYS A 89 7.097 3.744 -11.215 1.00 0.00 N ATOM 1401 CA LYS A 89 7.799 4.520 -12.276 1.00 0.00 C ATOM 1402 C LYS A 89 6.928 4.533 -13.533 1.00 0.00 C ATOM 1403 O LYS A 89 7.397 4.326 -14.634 1.00 0.00 O ATOM 1404 CB LYS A 89 9.163 3.892 -12.585 1.00 0.00 C ATOM 1405 CG LYS A 89 10.227 4.987 -12.690 1.00 0.00 C ATOM 1406 CD LYS A 89 11.591 4.411 -12.302 1.00 0.00 C ATOM 1407 CE LYS A 89 12.517 5.542 -11.848 1.00 0.00 C ATOM 1408 NZ LYS A 89 13.856 4.984 -11.506 1.00 0.00 N ATOM 0 H LYS A 89 6.532 4.308 -10.581 1.00 0.00 H new ATOM 0 HA LYS A 89 7.966 5.540 -11.931 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.433 3.184 -11.802 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.112 3.331 -13.518 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.262 5.379 -13.706 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.972 5.820 -12.035 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.474 3.680 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.030 3.887 -13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.613 6.287 -12.638 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.091 6.049 -10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.484 5.753 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.757 4.289 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.263 4.519 -12.343 1.00 0.00 H new ATOM 1422 N ASN A 90 5.656 4.772 -13.361 1.00 0.00 N ATOM 1423 CA ASN A 90 4.717 4.809 -14.517 1.00 0.00 C ATOM 1424 C ASN A 90 5.029 3.667 -15.480 1.00 0.00 C ATOM 1425 O ASN A 90 4.894 3.798 -16.681 1.00 0.00 O ATOM 1426 CB ASN A 90 4.836 6.153 -15.242 1.00 0.00 C ATOM 1427 CG ASN A 90 6.308 6.460 -15.514 1.00 0.00 C ATOM 1428 OD1 ASN A 90 6.903 7.282 -14.846 1.00 0.00 O ATOM 1429 ND2 ASN A 90 6.925 5.830 -16.475 1.00 0.00 N ATOM 0 H ASN A 90 5.222 4.946 -12.454 1.00 0.00 H new ATOM 0 HA ASN A 90 3.697 4.692 -14.150 1.00 0.00 H new ATOM 0 HB2 ASN A 90 4.281 6.122 -16.180 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.395 6.945 -14.636 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.907 6.027 -16.666 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.425 5.140 -17.036 1.00 0.00 H new ATOM 1436 N LYS A 91 5.425 2.542 -14.961 1.00 0.00 N ATOM 1437 CA LYS A 91 5.725 1.378 -15.842 1.00 0.00 C ATOM 1438 C LYS A 91 4.604 0.357 -15.696 1.00 0.00 C ATOM 1439 O LYS A 91 4.041 -0.109 -16.667 1.00 0.00 O ATOM 1440 CB LYS A 91 7.053 0.735 -15.437 1.00 0.00 C ATOM 1441 CG LYS A 91 7.979 1.793 -14.839 1.00 0.00 C ATOM 1442 CD LYS A 91 9.223 1.112 -14.267 1.00 0.00 C ATOM 1443 CE LYS A 91 10.412 1.346 -15.200 1.00 0.00 C ATOM 1444 NZ LYS A 91 11.456 0.314 -14.949 1.00 0.00 N ATOM 0 H LYS A 91 5.555 2.376 -13.963 1.00 0.00 H new ATOM 0 HA LYS A 91 5.800 1.714 -16.876 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.877 -0.059 -14.712 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.524 0.275 -16.305 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.265 2.516 -15.603 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.460 2.346 -14.056 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.443 1.508 -13.275 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.044 0.043 -14.151 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.086 1.302 -16.239 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.824 2.342 -15.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.263 0.475 -15.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.775 0.376 -13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.060 -0.631 -15.126 1.00 0.00 H new ATOM 1458 N ASP A 92 4.266 0.016 -14.485 1.00 0.00 N ATOM 1459 CA ASP A 92 3.166 -0.961 -14.273 1.00 0.00 C ATOM 1460 C ASP A 92 1.826 -0.226 -14.364 1.00 0.00 C ATOM 1461 O ASP A 92 0.785 -0.778 -14.067 1.00 0.00 O ATOM 1462 CB ASP A 92 3.309 -1.598 -12.888 1.00 0.00 C ATOM 1463 CG ASP A 92 2.325 -2.762 -12.760 1.00 0.00 C ATOM 1464 OD1 ASP A 92 1.578 -2.989 -13.699 1.00 0.00 O ATOM 1465 OD2 ASP A 92 2.334 -3.407 -11.724 1.00 0.00 O ATOM 0 H ASP A 92 4.703 0.371 -13.635 1.00 0.00 H new ATOM 0 HA ASP A 92 3.211 -1.741 -15.033 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.329 -1.952 -12.742 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.115 -0.857 -12.113 1.00 0.00 H new ATOM 1470 N ASP A 93 1.843 1.017 -14.773 1.00 0.00 N ATOM 1471 CA ASP A 93 0.568 1.783 -14.878 1.00 0.00 C ATOM 1472 C ASP A 93 -0.300 1.186 -15.990 1.00 0.00 C ATOM 1473 O ASP A 93 -0.147 1.509 -17.152 1.00 0.00 O ATOM 1474 CB ASP A 93 0.876 3.248 -15.197 1.00 0.00 C ATOM 1475 CG ASP A 93 -0.396 4.082 -15.034 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -1.406 3.518 -14.649 1.00 0.00 O ATOM 1477 OD2 ASP A 93 -0.337 5.273 -15.296 1.00 0.00 O ATOM 0 H ASP A 93 2.683 1.532 -15.038 1.00 0.00 H new ATOM 0 HA ASP A 93 0.031 1.724 -13.931 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.656 3.620 -14.532 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.255 3.338 -16.215 1.00 0.00 H new