USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot -71:sc= 0.139 USER MOD Set 1.2: A 75 MET CE :methyl -105:sc= -2.55 (180deg=-4.76!) USER MOD Set 2.1: A 51 MET CE :methyl -106:sc= -0.934 (180deg=-3.86!) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= -0.0205 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -157:sc= 0.156 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.479) USER MOD Single : A 25 ASN : amide:sc= -1.87 K(o=-1.9,f=-8.5!) USER MOD Single : A 26 THR OG1 : rot -119:sc= 0.402 USER MOD Single : A 31 MET CE :methyl -145:sc= -0.0392 (180deg=-0.643) USER MOD Single : A 34 LYS NZ :NH3+ 136:sc= -2.3! (180deg=-3.2!) USER MOD Single : A 36 GLN :FLIP amide:sc= -8.79! C(o=-11!,f=-8.8!) USER MOD Single : A 44 GLN : amide:sc= -4.25! C(o=-4.2!,f=-7.2!) USER MOD Single : A 48 GLN : amide:sc= -5.05! C(o=-5!,f=-11!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.175 F(o=-1.3,f=-0.18) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -147:sc= -0.314 (180deg=-2.36) USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= -0.457 (180deg=-0.511) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.139 F(o=-2.1!,f=-0.14) USER MOD Single : A 71 MET CE :methyl 148:sc= -0.26 (180deg=-1.48!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 36:sc= 0.256 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.110 3.724 -13.962 1.00 0.00 N ATOM 60 CA GLY A 7 -5.671 4.060 -12.619 1.00 0.00 C ATOM 61 C GLY A 7 -6.849 4.066 -11.642 1.00 0.00 C ATOM 62 O GLY A 7 -7.803 4.821 -11.820 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.922 3.341 -12.287 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.193 5.039 -12.623 1.00 0.00 H new ATOM 66 N TYR A 8 -6.743 3.215 -10.632 1.00 0.00 N ATOM 67 CA TYR A 8 -7.787 3.112 -9.628 1.00 0.00 C ATOM 68 C TYR A 8 -7.401 3.870 -8.356 1.00 0.00 C ATOM 69 O TYR A 8 -6.221 4.108 -8.105 1.00 0.00 O ATOM 70 CB TYR A 8 -7.914 1.623 -9.301 1.00 0.00 C ATOM 71 CG TYR A 8 -8.535 0.790 -10.425 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.851 0.612 -11.610 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.779 0.218 -10.252 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.436 -0.172 -12.667 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.363 -0.566 -11.310 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.663 -0.722 -12.465 1.00 0.00 C ATOM 77 OH TYR A 8 -10.215 -1.462 -13.463 1.00 0.00 O ATOM 0 H TYR A 8 -5.950 2.590 -10.488 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.719 3.539 -9.999 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.925 1.226 -9.072 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.519 1.509 -8.401 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.878 1.060 -11.745 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.314 0.358 -9.324 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.912 -0.320 -13.600 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.335 -1.020 -11.188 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.092 -1.793 -13.178 1.00 0.00 H new ATOM 87 N SER A 9 -8.419 4.228 -7.586 1.00 0.00 N ATOM 88 CA SER A 9 -8.200 4.953 -6.346 1.00 0.00 C ATOM 89 C SER A 9 -8.720 4.135 -5.163 1.00 0.00 C ATOM 90 O SER A 9 -9.906 3.818 -5.095 1.00 0.00 O ATOM 91 CB SER A 9 -8.880 6.323 -6.383 1.00 0.00 C ATOM 92 OG SER A 9 -9.064 6.793 -7.716 1.00 0.00 O ATOM 0 H SER A 9 -9.397 4.029 -7.797 1.00 0.00 H new ATOM 0 HA SER A 9 -7.128 5.112 -6.227 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.847 6.261 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.279 7.041 -5.825 1.00 0.00 H new ATOM 0 HG SER A 9 -9.502 7.669 -7.696 1.00 0.00 H new ATOM 98 N VAL A 10 -7.805 3.816 -4.258 1.00 0.00 N ATOM 99 CA VAL A 10 -8.156 3.041 -3.081 1.00 0.00 C ATOM 100 C VAL A 10 -7.652 3.764 -1.830 1.00 0.00 C ATOM 101 O VAL A 10 -6.955 4.773 -1.931 1.00 0.00 O ATOM 102 CB VAL A 10 -7.609 1.618 -3.209 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.164 0.927 -4.457 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.079 1.617 -3.217 1.00 0.00 C ATOM 0 H VAL A 10 -6.822 4.081 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.239 2.952 -2.992 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.940 1.053 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.759 -0.083 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.251 0.879 -4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.877 1.492 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.716 0.593 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.719 2.207 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.710 2.051 -2.287 1.00 0.00 H new ATOM 114 N THR A 11 -8.023 3.220 -0.681 1.00 0.00 N ATOM 115 CA THR A 11 -7.618 3.801 0.588 1.00 0.00 C ATOM 116 C THR A 11 -6.863 2.770 1.429 1.00 0.00 C ATOM 117 O THR A 11 -7.380 1.689 1.703 1.00 0.00 O ATOM 118 CB THR A 11 -8.868 4.351 1.278 1.00 0.00 C ATOM 119 OG1 THR A 11 -8.917 5.716 0.872 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.715 4.420 2.798 1.00 0.00 C ATOM 0 H THR A 11 -8.600 2.383 -0.602 1.00 0.00 H new ATOM 0 HA THR A 11 -6.922 4.627 0.441 1.00 0.00 H new ATOM 0 HB THR A 11 -9.725 3.726 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.435 6.233 1.524 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.630 4.817 3.238 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.527 3.421 3.191 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.878 5.072 3.050 1.00 0.00 H new ATOM 128 N VAL A 12 -5.651 3.142 1.816 1.00 0.00 N ATOM 129 CA VAL A 12 -4.820 2.263 2.621 1.00 0.00 C ATOM 130 C VAL A 12 -5.098 2.522 4.103 1.00 0.00 C ATOM 131 O VAL A 12 -5.173 3.672 4.533 1.00 0.00 O ATOM 132 CB VAL A 12 -3.348 2.449 2.247 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.435 1.733 3.245 1.00 0.00 C ATOM 134 CG2 VAL A 12 -3.080 1.971 0.819 1.00 0.00 C ATOM 0 H VAL A 12 -5.225 4.040 1.587 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.063 1.219 2.423 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.123 3.515 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.394 1.881 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.596 2.141 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.663 0.667 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.026 2.115 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.330 0.913 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.692 2.544 0.123 1.00 0.00 H new ATOM 144 N LYS A 13 -5.243 1.433 4.844 1.00 0.00 N ATOM 145 CA LYS A 13 -5.511 1.527 6.269 1.00 0.00 C ATOM 146 C LYS A 13 -4.406 0.803 7.040 1.00 0.00 C ATOM 147 O LYS A 13 -4.289 -0.419 6.962 1.00 0.00 O ATOM 148 CB LYS A 13 -6.918 1.017 6.585 1.00 0.00 C ATOM 149 CG LYS A 13 -7.709 2.051 7.387 1.00 0.00 C ATOM 150 CD LYS A 13 -8.460 1.389 8.545 1.00 0.00 C ATOM 151 CE LYS A 13 -9.965 1.348 8.269 1.00 0.00 C ATOM 152 NZ LYS A 13 -10.726 1.469 9.533 1.00 0.00 N ATOM 0 H LYS A 13 -5.180 0.481 4.484 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.495 2.568 6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.444 0.792 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.853 0.086 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.031 2.811 7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.417 2.560 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.086 0.376 8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.270 1.938 9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.239 2.158 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.224 0.415 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.745 1.439 9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.477 0.682 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.491 2.371 9.994 1.00 0.00 H new ATOM 166 N TRP A 14 -3.624 1.587 7.767 1.00 0.00 N ATOM 167 CA TRP A 14 -2.532 1.035 8.552 1.00 0.00 C ATOM 168 C TRP A 14 -2.740 1.451 10.009 1.00 0.00 C ATOM 169 O TRP A 14 -2.337 2.541 10.411 1.00 0.00 O ATOM 170 CB TRP A 14 -1.178 1.474 7.992 1.00 0.00 C ATOM 171 CG TRP A 14 0.015 0.727 8.592 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.119 -0.582 8.859 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.277 1.302 8.991 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.351 -0.892 9.399 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.078 0.290 9.482 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.728 2.633 8.940 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.377 0.504 9.958 1.00 0.00 C ATOM 178 CZ3 TRP A 14 3.028 2.829 9.419 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.847 1.822 9.916 1.00 0.00 C ATOM 0 H TRP A 14 -3.724 2.600 7.829 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.530 -0.054 8.498 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.179 1.329 6.912 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.052 2.542 8.170 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.663 -1.304 8.675 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.669 -1.818 9.685 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.119 3.440 8.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.984 -0.305 10.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.423 3.834 9.401 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.841 2.055 10.268 1.00 0.00 H new ATOM 190 N GLY A 15 -3.370 0.561 10.762 1.00 0.00 N ATOM 191 CA GLY A 15 -3.637 0.822 12.166 1.00 0.00 C ATOM 192 C GLY A 15 -3.975 2.297 12.395 1.00 0.00 C ATOM 193 O GLY A 15 -4.803 2.865 11.684 1.00 0.00 O ATOM 0 H GLY A 15 -3.703 -0.342 10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.465 0.199 12.504 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.767 0.548 12.762 1.00 0.00 H new ATOM 197 N LYS A 16 -3.317 2.874 13.389 1.00 0.00 N ATOM 198 CA LYS A 16 -3.538 4.272 13.720 1.00 0.00 C ATOM 199 C LYS A 16 -3.330 5.127 12.468 1.00 0.00 C ATOM 200 O LYS A 16 -4.029 6.119 12.267 1.00 0.00 O ATOM 201 CB LYS A 16 -2.659 4.688 14.902 1.00 0.00 C ATOM 202 CG LYS A 16 -3.463 5.490 15.927 1.00 0.00 C ATOM 203 CD LYS A 16 -2.833 5.389 17.318 1.00 0.00 C ATOM 204 CE LYS A 16 -3.138 4.035 17.960 1.00 0.00 C ATOM 205 NZ LYS A 16 -2.026 3.619 18.845 1.00 0.00 N ATOM 0 H LYS A 16 -2.631 2.400 13.976 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.566 4.429 14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.239 3.802 15.377 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.821 5.285 14.544 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.511 6.535 15.620 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.488 5.121 15.960 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.754 5.525 17.243 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.213 6.190 17.952 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.063 4.098 18.533 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.294 3.285 17.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.249 2.698 19.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.151 3.540 18.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.896 4.327 19.596 1.00 0.00 H new ATOM 219 N GLU A 17 -2.366 4.712 11.660 1.00 0.00 N ATOM 220 CA GLU A 17 -2.057 5.427 10.434 1.00 0.00 C ATOM 221 C GLU A 17 -3.181 5.240 9.413 1.00 0.00 C ATOM 222 O GLU A 17 -3.799 4.178 9.352 1.00 0.00 O ATOM 223 CB GLU A 17 -0.713 4.976 9.858 1.00 0.00 C ATOM 224 CG GLU A 17 0.447 5.464 10.728 1.00 0.00 C ATOM 225 CD GLU A 17 0.400 6.984 10.901 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.891 7.675 9.983 1.00 0.00 O ATOM 227 OE2 GLU A 17 -0.126 7.419 11.948 1.00 0.00 O ATOM 0 H GLU A 17 -1.788 3.889 11.831 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.976 6.489 10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.689 3.888 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.600 5.361 8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.402 4.982 11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.394 5.175 10.273 1.00 0.00 H new ATOM 234 N LYS A 18 -3.413 6.288 8.636 1.00 0.00 N ATOM 235 CA LYS A 18 -4.452 6.252 7.621 1.00 0.00 C ATOM 236 C LYS A 18 -3.979 7.023 6.386 1.00 0.00 C ATOM 237 O LYS A 18 -3.377 8.088 6.508 1.00 0.00 O ATOM 238 CB LYS A 18 -5.777 6.760 8.192 1.00 0.00 C ATOM 239 CG LYS A 18 -6.863 6.789 7.115 1.00 0.00 C ATOM 240 CD LYS A 18 -8.251 6.602 7.731 1.00 0.00 C ATOM 241 CE LYS A 18 -8.671 5.131 7.702 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.023 4.966 8.280 1.00 0.00 N ATOM 0 H LYS A 18 -2.899 7.167 8.689 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.640 5.226 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.093 6.118 9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.640 7.760 8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.824 7.737 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.677 6.002 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.248 6.963 8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.979 7.202 7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.661 4.764 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.954 4.531 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.112 4.014 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.172 5.677 9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.737 5.091 7.534 1.00 0.00 H new ATOM 256 N PHE A 19 -4.270 6.453 5.226 1.00 0.00 N ATOM 257 CA PHE A 19 -3.882 7.073 3.970 1.00 0.00 C ATOM 258 C PHE A 19 -5.007 6.973 2.938 1.00 0.00 C ATOM 259 O PHE A 19 -5.319 5.884 2.458 1.00 0.00 O ATOM 260 CB PHE A 19 -2.662 6.309 3.452 1.00 0.00 C ATOM 261 CG PHE A 19 -1.549 6.136 4.488 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.574 7.077 4.602 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.536 5.042 5.296 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.458 6.916 5.564 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.504 4.882 6.258 1.00 0.00 C ATOM 266 CZ PHE A 19 0.472 5.822 6.371 1.00 0.00 C ATOM 0 H PHE A 19 -4.770 5.569 5.129 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.664 8.129 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.981 5.325 3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.259 6.833 2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.585 7.946 3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.311 4.295 5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.232 7.663 5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.494 4.014 6.900 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.258 5.700 7.102 1.00 0.00 H new ATOM 276 N GLU A 20 -5.587 8.123 2.628 1.00 0.00 N ATOM 277 CA GLU A 20 -6.671 8.179 1.663 1.00 0.00 C ATOM 278 C GLU A 20 -6.277 9.056 0.473 1.00 0.00 C ATOM 279 O GLU A 20 -5.928 10.223 0.646 1.00 0.00 O ATOM 280 CB GLU A 20 -7.960 8.684 2.314 1.00 0.00 C ATOM 281 CG GLU A 20 -8.347 7.814 3.511 1.00 0.00 C ATOM 282 CD GLU A 20 -9.850 7.896 3.785 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.614 7.455 2.899 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.202 8.397 4.875 1.00 0.00 O ATOM 0 H GLU A 20 -5.326 9.024 3.029 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.859 7.169 1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.828 9.716 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.767 8.681 1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.065 6.779 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.795 8.137 4.393 1.00 0.00 H new ATOM 291 N GLY A 21 -6.347 8.461 -0.709 1.00 0.00 N ATOM 292 CA GLY A 21 -6.002 9.174 -1.927 1.00 0.00 C ATOM 293 C GLY A 21 -4.664 8.688 -2.487 1.00 0.00 C ATOM 294 O GLY A 21 -3.824 9.494 -2.884 1.00 0.00 O ATOM 0 H GLY A 21 -6.638 7.493 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.785 9.030 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.948 10.244 -1.724 1.00 0.00 H new ATOM 298 N VAL A 22 -4.507 7.372 -2.501 1.00 0.00 N ATOM 299 CA VAL A 22 -3.285 6.770 -3.005 1.00 0.00 C ATOM 300 C VAL A 22 -3.504 6.315 -4.449 1.00 0.00 C ATOM 301 O VAL A 22 -4.396 5.513 -4.722 1.00 0.00 O ATOM 302 CB VAL A 22 -2.842 5.634 -2.081 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.697 4.834 -2.705 1.00 0.00 C ATOM 304 CG2 VAL A 22 -2.449 6.169 -0.702 1.00 0.00 C ATOM 0 H VAL A 22 -5.206 6.706 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.475 7.499 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.689 4.960 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.401 4.033 -2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.026 4.406 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.847 5.493 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.138 5.341 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.625 6.875 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.303 6.673 -0.250 1.00 0.00 H new ATOM 314 N GLU A 23 -2.675 6.847 -5.335 1.00 0.00 N ATOM 315 CA GLU A 23 -2.767 6.505 -6.745 1.00 0.00 C ATOM 316 C GLU A 23 -2.409 5.033 -6.959 1.00 0.00 C ATOM 317 O GLU A 23 -1.361 4.574 -6.508 1.00 0.00 O ATOM 318 CB GLU A 23 -1.873 7.415 -7.589 1.00 0.00 C ATOM 319 CG GLU A 23 -0.431 7.395 -7.077 1.00 0.00 C ATOM 320 CD GLU A 23 0.559 7.656 -8.214 1.00 0.00 C ATOM 321 OE1 GLU A 23 0.254 7.216 -9.343 1.00 0.00 O ATOM 322 OE2 GLU A 23 1.597 8.290 -7.928 1.00 0.00 O ATOM 0 H GLU A 23 -1.937 7.512 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.796 6.659 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.898 7.091 -8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.258 8.434 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.306 8.150 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.218 6.429 -6.619 1.00 0.00 H new ATOM 329 N LEU A 24 -3.300 4.334 -7.647 1.00 0.00 N ATOM 330 CA LEU A 24 -3.091 2.924 -7.926 1.00 0.00 C ATOM 331 C LEU A 24 -3.375 2.654 -9.405 1.00 0.00 C ATOM 332 O LEU A 24 -4.340 3.176 -9.961 1.00 0.00 O ATOM 333 CB LEU A 24 -3.920 2.060 -6.973 1.00 0.00 C ATOM 334 CG LEU A 24 -4.262 0.653 -7.468 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.298 -0.382 -6.884 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.723 0.308 -7.172 1.00 0.00 C ATOM 0 H LEU A 24 -4.168 4.718 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.052 2.650 -7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.378 1.971 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.851 2.584 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.140 0.632 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.563 -1.374 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.279 -0.142 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.365 -0.368 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.940 -0.697 -7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.897 0.352 -6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.375 1.023 -7.674 1.00 0.00 H new ATOM 348 N ASN A 25 -2.517 1.838 -10.000 1.00 0.00 N ATOM 349 CA ASN A 25 -2.664 1.492 -11.404 1.00 0.00 C ATOM 350 C ASN A 25 -2.608 -0.029 -11.558 1.00 0.00 C ATOM 351 O ASN A 25 -1.895 -0.706 -10.819 1.00 0.00 O ATOM 352 CB ASN A 25 -1.533 2.094 -12.240 1.00 0.00 C ATOM 353 CG ASN A 25 -2.082 2.780 -13.492 1.00 0.00 C ATOM 354 OD1 ASN A 25 -3.278 2.935 -13.672 1.00 0.00 O ATOM 355 ND2 ASN A 25 -1.143 3.182 -14.344 1.00 0.00 N ATOM 0 H ASN A 25 -1.718 1.407 -9.536 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.619 1.887 -11.751 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.977 2.815 -11.640 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.832 1.310 -12.528 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.407 3.652 -15.210 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.159 3.020 -14.131 1.00 0.00 H new ATOM 362 N THR A 26 -3.371 -0.522 -12.523 1.00 0.00 N ATOM 363 CA THR A 26 -3.418 -1.950 -12.784 1.00 0.00 C ATOM 364 C THR A 26 -2.540 -2.302 -13.987 1.00 0.00 C ATOM 365 O THR A 26 -1.937 -3.373 -14.027 1.00 0.00 O ATOM 366 CB THR A 26 -4.883 -2.350 -12.964 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.440 -1.290 -13.736 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.668 -2.307 -11.651 1.00 0.00 C ATOM 0 H THR A 26 -3.962 0.043 -13.133 1.00 0.00 H new ATOM 0 HA THR A 26 -3.011 -2.518 -11.947 1.00 0.00 H new ATOM 0 HB THR A 26 -4.936 -3.354 -13.385 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.155 -0.855 -13.226 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.702 -2.600 -11.835 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.218 -2.995 -10.935 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.644 -1.295 -11.246 1.00 0.00 H new ATOM 376 N ASP A 27 -2.496 -1.379 -14.937 1.00 0.00 N ATOM 377 CA ASP A 27 -1.702 -1.578 -16.137 1.00 0.00 C ATOM 378 C ASP A 27 -0.352 -2.188 -15.755 1.00 0.00 C ATOM 379 O ASP A 27 0.239 -2.935 -16.534 1.00 0.00 O ATOM 380 CB ASP A 27 -1.437 -0.250 -16.849 1.00 0.00 C ATOM 381 CG ASP A 27 -2.007 -0.150 -18.265 1.00 0.00 C ATOM 382 OD1 ASP A 27 -3.160 -0.596 -18.445 1.00 0.00 O ATOM 383 OD2 ASP A 27 -1.276 0.370 -19.135 1.00 0.00 O ATOM 0 H ASP A 27 -2.997 -0.492 -14.900 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.257 -2.239 -16.803 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.855 0.557 -16.247 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.360 -0.088 -16.895 1.00 0.00 H new ATOM 388 N GLU A 28 0.098 -1.847 -14.556 1.00 0.00 N ATOM 389 CA GLU A 28 1.367 -2.351 -14.061 1.00 0.00 C ATOM 390 C GLU A 28 1.134 -3.396 -12.968 1.00 0.00 C ATOM 391 O GLU A 28 -0.009 -3.708 -12.637 1.00 0.00 O ATOM 392 CB GLU A 28 2.249 -1.210 -13.550 1.00 0.00 C ATOM 393 CG GLU A 28 1.645 0.150 -13.906 1.00 0.00 C ATOM 394 CD GLU A 28 1.474 0.296 -15.419 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.921 -0.629 -16.132 1.00 0.00 O ATOM 396 OE2 GLU A 28 0.900 1.328 -15.829 1.00 0.00 O ATOM 0 H GLU A 28 -0.394 -1.227 -13.913 1.00 0.00 H new ATOM 0 HA GLU A 28 1.892 -2.830 -14.888 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.363 -1.290 -12.469 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.246 -1.294 -13.983 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.678 0.262 -13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.288 0.947 -13.531 1.00 0.00 H new ATOM 403 N PRO A 29 2.264 -3.919 -12.422 1.00 0.00 N ATOM 404 CA PRO A 29 2.194 -4.922 -11.373 1.00 0.00 C ATOM 405 C PRO A 29 1.800 -4.290 -10.036 1.00 0.00 C ATOM 406 O PRO A 29 1.711 -3.068 -9.926 1.00 0.00 O ATOM 407 CB PRO A 29 3.573 -5.560 -11.345 1.00 0.00 C ATOM 408 CG PRO A 29 4.498 -4.584 -12.053 1.00 0.00 C ATOM 409 CD PRO A 29 3.634 -3.572 -12.789 1.00 0.00 C ATOM 0 HA PRO A 29 1.427 -5.673 -11.560 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.901 -5.736 -10.321 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.566 -6.527 -11.848 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.145 -4.082 -11.334 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.147 -5.112 -12.752 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.878 -2.552 -12.491 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.783 -3.634 -13.867 1.00 0.00 H new ATOM 417 N PRO A 30 1.570 -5.173 -9.028 1.00 0.00 N ATOM 418 CA PRO A 30 1.188 -4.714 -7.704 1.00 0.00 C ATOM 419 C PRO A 30 2.389 -4.126 -6.960 1.00 0.00 C ATOM 420 O PRO A 30 2.251 -3.147 -6.228 1.00 0.00 O ATOM 421 CB PRO A 30 0.605 -5.938 -7.016 1.00 0.00 C ATOM 422 CG PRO A 30 1.104 -7.137 -7.806 1.00 0.00 C ATOM 423 CD PRO A 30 1.666 -6.627 -9.123 1.00 0.00 C ATOM 0 HA PRO A 30 0.458 -3.905 -7.734 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.929 -5.993 -5.977 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.484 -5.901 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.871 -7.671 -7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.291 -7.841 -7.985 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.698 -6.947 -9.264 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.096 -7.007 -9.971 1.00 0.00 H new ATOM 431 N MET A 31 3.539 -4.748 -7.174 1.00 0.00 N ATOM 432 CA MET A 31 4.763 -4.298 -6.533 1.00 0.00 C ATOM 433 C MET A 31 4.819 -2.770 -6.469 1.00 0.00 C ATOM 434 O MET A 31 5.172 -2.201 -5.437 1.00 0.00 O ATOM 435 CB MET A 31 5.971 -4.821 -7.314 1.00 0.00 C ATOM 436 CG MET A 31 5.844 -6.323 -7.578 1.00 0.00 C ATOM 437 SD MET A 31 7.465 -7.051 -7.750 1.00 0.00 S ATOM 438 CE MET A 31 7.648 -7.786 -6.133 1.00 0.00 C ATOM 0 H MET A 31 3.649 -5.560 -7.782 1.00 0.00 H new ATOM 0 HA MET A 31 4.781 -4.687 -5.515 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.055 -4.287 -8.261 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.885 -4.622 -6.754 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.307 -6.801 -6.759 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.262 -6.494 -8.483 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.691 -7.725 -5.822 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.024 -7.251 -5.417 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.341 -8.831 -6.172 1.00 0.00 H new ATOM 448 N VAL A 32 4.466 -2.150 -7.585 1.00 0.00 N ATOM 449 CA VAL A 32 4.472 -0.699 -7.669 1.00 0.00 C ATOM 450 C VAL A 32 3.636 -0.123 -6.524 1.00 0.00 C ATOM 451 O VAL A 32 4.094 0.757 -5.798 1.00 0.00 O ATOM 452 CB VAL A 32 3.985 -0.253 -9.049 1.00 0.00 C ATOM 453 CG1 VAL A 32 4.269 1.234 -9.276 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.610 -1.106 -10.154 1.00 0.00 C ATOM 0 H VAL A 32 4.174 -2.626 -8.439 1.00 0.00 H new ATOM 0 HA VAL A 32 5.485 -0.314 -7.557 1.00 0.00 H new ATOM 0 HB VAL A 32 2.905 -0.398 -9.086 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.913 1.526 -10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.754 1.823 -8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.342 1.414 -9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.247 -0.768 -11.124 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.695 -1.009 -10.119 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.334 -2.150 -10.007 1.00 0.00 H new ATOM 464 N PHE A 33 2.424 -0.644 -6.399 1.00 0.00 N ATOM 465 CA PHE A 33 1.520 -0.193 -5.355 1.00 0.00 C ATOM 466 C PHE A 33 2.121 -0.429 -3.969 1.00 0.00 C ATOM 467 O PHE A 33 1.750 0.240 -3.005 1.00 0.00 O ATOM 468 CB PHE A 33 0.237 -1.016 -5.488 1.00 0.00 C ATOM 469 CG PHE A 33 -0.867 -0.610 -4.510 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.550 0.551 -4.699 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.166 -1.409 -3.451 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.575 0.928 -3.791 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.190 -1.033 -2.543 1.00 0.00 C ATOM 474 CZ PHE A 33 -2.873 0.128 -2.732 1.00 0.00 C ATOM 0 H PHE A 33 2.047 -1.374 -7.003 1.00 0.00 H new ATOM 0 HA PHE A 33 1.332 0.875 -5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.140 -0.920 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.475 -2.069 -5.335 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.313 1.186 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.624 -2.331 -3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.118 1.850 -3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.427 -1.668 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.652 0.415 -2.041 1.00 0.00 H new ATOM 484 N LYS A 34 3.040 -1.381 -3.912 1.00 0.00 N ATOM 485 CA LYS A 34 3.697 -1.714 -2.659 1.00 0.00 C ATOM 486 C LYS A 34 4.954 -0.855 -2.504 1.00 0.00 C ATOM 487 O LYS A 34 5.424 -0.632 -1.389 1.00 0.00 O ATOM 488 CB LYS A 34 3.967 -3.218 -2.578 1.00 0.00 C ATOM 489 CG LYS A 34 2.852 -4.012 -3.262 1.00 0.00 C ATOM 490 CD LYS A 34 1.474 -3.491 -2.849 1.00 0.00 C ATOM 491 CE LYS A 34 1.036 -4.096 -1.514 1.00 0.00 C ATOM 492 NZ LYS A 34 1.386 -3.193 -0.395 1.00 0.00 N ATOM 0 H LYS A 34 3.346 -1.933 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 34 3.046 -1.485 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.923 -3.446 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.047 -3.521 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.962 -3.941 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.939 -5.067 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.501 -2.404 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.743 -3.735 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.040 -4.272 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.517 -5.064 -1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.585 -3.133 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.219 -3.565 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.600 -2.246 -0.767 1.00 0.00 H new ATOM 506 N ALA A 35 5.462 -0.396 -3.638 1.00 0.00 N ATOM 507 CA ALA A 35 6.655 0.434 -3.641 1.00 0.00 C ATOM 508 C ALA A 35 6.311 1.816 -3.084 1.00 0.00 C ATOM 509 O ALA A 35 7.177 2.506 -2.547 1.00 0.00 O ATOM 510 CB ALA A 35 7.226 0.502 -5.059 1.00 0.00 C ATOM 0 H ALA A 35 5.070 -0.583 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 35 7.424 0.003 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.121 1.124 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.482 -0.502 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.483 0.932 -5.730 1.00 0.00 H new ATOM 516 N GLN A 36 5.046 2.181 -3.231 1.00 0.00 N ATOM 517 CA GLN A 36 4.577 3.469 -2.750 1.00 0.00 C ATOM 518 C GLN A 36 4.234 3.386 -1.261 1.00 0.00 C ATOM 519 O GLN A 36 4.717 4.187 -0.463 1.00 0.00 O ATOM 520 CB GLN A 36 3.376 3.954 -3.563 1.00 0.00 C ATOM 521 CG GLN A 36 2.864 5.297 -3.037 1.00 0.00 C ATOM 522 CD GLN A 36 1.605 5.736 -3.788 1.00 0.00 C ATOM 523 OE1 GLN A 36 0.748 6.432 -3.047 1.00 0.00 O flip ATOM 524 NE2 GLN A 36 1.424 5.461 -4.963 1.00 0.00 N flip ATOM 0 H GLN A 36 4.331 1.606 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 36 5.378 4.197 -2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.658 4.054 -4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.578 3.213 -3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.647 5.216 -1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.640 6.054 -3.147 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.123 4.923 -5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.573 5.770 -5.434 1.00 0.00 H new ATOM 533 N LEU A 37 3.401 2.409 -0.932 1.00 0.00 N ATOM 534 CA LEU A 37 2.987 2.210 0.447 1.00 0.00 C ATOM 535 C LEU A 37 4.221 2.227 1.352 1.00 0.00 C ATOM 536 O LEU A 37 4.133 2.604 2.520 1.00 0.00 O ATOM 537 CB LEU A 37 2.146 0.939 0.576 1.00 0.00 C ATOM 538 CG LEU A 37 0.749 0.993 -0.045 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.210 0.046 0.679 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.219 2.428 -0.079 1.00 0.00 C ATOM 0 H LEU A 37 3.002 1.747 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 37 2.341 3.025 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.694 0.116 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.042 0.702 1.635 1.00 0.00 H new ATOM 0 HG LEU A 37 0.821 0.651 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.196 0.104 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.164 -0.975 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.283 0.334 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.775 2.438 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.165 2.820 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.889 3.049 -0.673 1.00 0.00 H new ATOM 552 N PHE A 38 5.341 1.813 0.779 1.00 0.00 N ATOM 553 CA PHE A 38 6.591 1.775 1.520 1.00 0.00 C ATOM 554 C PHE A 38 6.963 3.165 2.039 1.00 0.00 C ATOM 555 O PHE A 38 7.532 3.296 3.122 1.00 0.00 O ATOM 556 CB PHE A 38 7.673 1.300 0.548 1.00 0.00 C ATOM 557 CG PHE A 38 9.072 1.228 1.162 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.223 1.227 2.513 1.00 0.00 C ATOM 559 CD2 PHE A 38 10.166 1.164 0.356 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.522 1.159 3.083 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.465 1.097 0.925 1.00 0.00 C ATOM 562 CZ PHE A 38 11.615 1.096 2.277 1.00 0.00 C ATOM 0 H PHE A 38 5.410 1.501 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 38 6.495 1.110 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.401 0.314 0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.698 1.973 -0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.355 1.278 3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.046 1.164 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.642 1.157 4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.333 1.047 0.285 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.603 1.045 2.710 1.00 0.00 H new ATOM 572 N ALA A 39 6.626 4.169 1.243 1.00 0.00 N ATOM 573 CA ALA A 39 6.917 5.545 1.608 1.00 0.00 C ATOM 574 C ALA A 39 5.696 6.153 2.301 1.00 0.00 C ATOM 575 O ALA A 39 5.747 7.288 2.772 1.00 0.00 O ATOM 576 CB ALA A 39 7.331 6.328 0.361 1.00 0.00 C ATOM 0 H ALA A 39 6.154 4.057 0.346 1.00 0.00 H new ATOM 0 HA ALA A 39 7.750 5.588 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.549 7.360 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.220 5.873 -0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.519 6.310 -0.366 1.00 0.00 H new ATOM 582 N LEU A 40 4.627 5.371 2.341 1.00 0.00 N ATOM 583 CA LEU A 40 3.396 5.819 2.968 1.00 0.00 C ATOM 584 C LEU A 40 3.353 5.319 4.413 1.00 0.00 C ATOM 585 O LEU A 40 3.110 6.096 5.336 1.00 0.00 O ATOM 586 CB LEU A 40 2.185 5.394 2.135 1.00 0.00 C ATOM 587 CG LEU A 40 2.180 5.855 0.676 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.800 5.662 0.044 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.668 7.300 0.555 1.00 0.00 C ATOM 0 H LEU A 40 4.588 4.430 1.949 1.00 0.00 H new ATOM 0 HA LEU A 40 3.363 6.908 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.121 4.306 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.285 5.774 2.618 1.00 0.00 H new ATOM 0 HG LEU A 40 2.879 5.231 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.824 5.998 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.529 4.607 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.062 6.244 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.654 7.602 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.013 7.955 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.685 7.374 0.941 1.00 0.00 H new ATOM 601 N THR A 41 3.594 4.025 4.565 1.00 0.00 N ATOM 602 CA THR A 41 3.587 3.412 5.883 1.00 0.00 C ATOM 603 C THR A 41 5.017 3.234 6.396 1.00 0.00 C ATOM 604 O THR A 41 5.288 3.449 7.576 1.00 0.00 O ATOM 605 CB THR A 41 2.806 2.100 5.789 1.00 0.00 C ATOM 606 OG1 THR A 41 3.504 1.350 4.799 1.00 0.00 O ATOM 607 CG2 THR A 41 1.409 2.291 5.196 1.00 0.00 C ATOM 0 H THR A 41 3.795 3.384 3.798 1.00 0.00 H new ATOM 0 HA THR A 41 3.091 4.050 6.614 1.00 0.00 H new ATOM 0 HB THR A 41 2.721 1.657 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.345 1.745 3.917 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.898 1.329 5.152 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.838 2.977 5.822 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.494 2.703 4.191 1.00 0.00 H new ATOM 615 N GLY A 42 5.894 2.841 5.484 1.00 0.00 N ATOM 616 CA GLY A 42 7.290 2.631 5.829 1.00 0.00 C ATOM 617 C GLY A 42 7.685 1.165 5.644 1.00 0.00 C ATOM 618 O GLY A 42 8.824 0.866 5.287 1.00 0.00 O ATOM 0 H GLY A 42 5.665 2.662 4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.922 3.263 5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.462 2.930 6.863 1.00 0.00 H new ATOM 622 N VAL A 43 6.723 0.289 5.895 1.00 0.00 N ATOM 623 CA VAL A 43 6.957 -1.139 5.761 1.00 0.00 C ATOM 624 C VAL A 43 7.367 -1.450 4.320 1.00 0.00 C ATOM 625 O VAL A 43 6.862 -0.838 3.381 1.00 0.00 O ATOM 626 CB VAL A 43 5.719 -1.917 6.211 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.996 -3.421 6.239 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.228 -1.424 7.574 1.00 0.00 C ATOM 0 H VAL A 43 5.780 0.541 6.190 1.00 0.00 H new ATOM 0 HA VAL A 43 7.775 -1.455 6.408 1.00 0.00 H new ATOM 0 HB VAL A 43 4.927 -1.737 5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.100 -3.950 6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.276 -3.758 5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.810 -3.628 6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.347 -1.993 7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.015 -1.560 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.971 -0.367 7.508 1.00 0.00 H new ATOM 638 N GLN A 44 8.280 -2.402 4.191 1.00 0.00 N ATOM 639 CA GLN A 44 8.764 -2.802 2.881 1.00 0.00 C ATOM 640 C GLN A 44 7.621 -3.386 2.048 1.00 0.00 C ATOM 641 O GLN A 44 6.607 -3.816 2.595 1.00 0.00 O ATOM 642 CB GLN A 44 9.918 -3.800 3.004 1.00 0.00 C ATOM 643 CG GLN A 44 11.239 -3.079 3.279 1.00 0.00 C ATOM 644 CD GLN A 44 11.129 -2.185 4.516 1.00 0.00 C ATOM 645 OE1 GLN A 44 10.454 -1.168 4.520 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.828 -2.618 5.561 1.00 0.00 N ATOM 0 H GLN A 44 8.697 -2.908 4.972 1.00 0.00 H new ATOM 0 HA GLN A 44 9.145 -1.917 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.710 -4.505 3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.001 -4.381 2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.033 -3.811 3.425 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.515 -2.476 2.414 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.372 -3.478 5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.820 -2.090 6.434 1.00 0.00 H new ATOM 655 N PRO A 45 7.829 -3.381 0.704 1.00 0.00 N ATOM 656 CA PRO A 45 6.827 -3.904 -0.209 1.00 0.00 C ATOM 657 C PRO A 45 6.807 -5.434 -0.183 1.00 0.00 C ATOM 658 O PRO A 45 6.073 -6.062 -0.944 1.00 0.00 O ATOM 659 CB PRO A 45 7.202 -3.339 -1.569 1.00 0.00 C ATOM 660 CG PRO A 45 8.653 -2.903 -1.454 1.00 0.00 C ATOM 661 CD PRO A 45 9.017 -2.879 0.021 1.00 0.00 C ATOM 0 HA PRO A 45 5.814 -3.610 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.080 -4.089 -2.350 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.561 -2.498 -1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.302 -3.590 -1.996 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.792 -1.917 -1.897 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.885 -3.506 0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.267 -1.871 0.351 1.00 0.00 H new ATOM 669 N ALA A 46 7.623 -5.989 0.702 1.00 0.00 N ATOM 670 CA ALA A 46 7.708 -7.434 0.837 1.00 0.00 C ATOM 671 C ALA A 46 7.078 -7.855 2.167 1.00 0.00 C ATOM 672 O ALA A 46 6.584 -8.974 2.297 1.00 0.00 O ATOM 673 CB ALA A 46 9.169 -7.872 0.719 1.00 0.00 C ATOM 0 H ALA A 46 8.230 -5.465 1.332 1.00 0.00 H new ATOM 0 HA ALA A 46 7.154 -7.928 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.233 -8.955 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.561 -7.574 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.755 -7.399 1.506 1.00 0.00 H new ATOM 679 N ARG A 47 7.117 -6.936 3.120 1.00 0.00 N ATOM 680 CA ARG A 47 6.557 -7.198 4.435 1.00 0.00 C ATOM 681 C ARG A 47 5.212 -6.485 4.591 1.00 0.00 C ATOM 682 O ARG A 47 4.825 -6.116 5.699 1.00 0.00 O ATOM 683 CB ARG A 47 7.505 -6.730 5.541 1.00 0.00 C ATOM 684 CG ARG A 47 8.958 -7.062 5.194 1.00 0.00 C ATOM 685 CD ARG A 47 9.689 -7.652 6.402 1.00 0.00 C ATOM 686 NE ARG A 47 11.037 -8.111 6.003 1.00 0.00 N ATOM 687 CZ ARG A 47 12.105 -7.308 5.898 1.00 0.00 C ATOM 688 NH1 ARG A 47 11.987 -6.000 6.162 1.00 0.00 N ATOM 689 NH2 ARG A 47 13.290 -7.813 5.528 1.00 0.00 N ATOM 0 H ARG A 47 7.528 -6.009 3.008 1.00 0.00 H new ATOM 0 HA ARG A 47 6.414 -8.275 4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.398 -5.655 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.234 -7.207 6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.985 -7.771 4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.471 -6.160 4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.769 -6.903 7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.118 -8.486 6.811 1.00 0.00 H new ATOM 0 HE ARG A 47 11.162 -9.102 5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.085 -5.616 6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.799 -5.388 6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.379 -8.809 5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.102 -7.202 5.448 1.00 0.00 H new ATOM 703 N GLN A 48 4.536 -6.312 3.464 1.00 0.00 N ATOM 704 CA GLN A 48 3.243 -5.650 3.461 1.00 0.00 C ATOM 705 C GLN A 48 2.130 -6.660 3.175 1.00 0.00 C ATOM 706 O GLN A 48 1.997 -7.140 2.050 1.00 0.00 O ATOM 707 CB GLN A 48 3.216 -4.503 2.449 1.00 0.00 C ATOM 708 CG GLN A 48 3.664 -3.191 3.095 1.00 0.00 C ATOM 709 CD GLN A 48 3.604 -2.037 2.092 1.00 0.00 C ATOM 710 OE1 GLN A 48 2.564 -1.448 1.846 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.773 -1.749 1.528 1.00 0.00 N ATOM 0 H GLN A 48 4.860 -6.619 2.547 1.00 0.00 H new ATOM 0 HA GLN A 48 3.074 -5.222 4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.868 -4.740 1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.208 -4.390 2.049 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.027 -2.967 3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.681 -3.296 3.473 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.606 -2.282 1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.837 -0.995 0.844 1.00 0.00 H new ATOM 720 N LYS A 49 1.359 -6.953 4.212 1.00 0.00 N ATOM 721 CA LYS A 49 0.262 -7.898 4.086 1.00 0.00 C ATOM 722 C LYS A 49 -0.999 -7.152 3.647 1.00 0.00 C ATOM 723 O LYS A 49 -1.739 -6.631 4.480 1.00 0.00 O ATOM 724 CB LYS A 49 0.087 -8.691 5.383 1.00 0.00 C ATOM 725 CG LYS A 49 -0.523 -10.067 5.105 1.00 0.00 C ATOM 726 CD LYS A 49 -1.256 -10.600 6.338 1.00 0.00 C ATOM 727 CE LYS A 49 -2.323 -11.623 5.942 1.00 0.00 C ATOM 728 NZ LYS A 49 -1.725 -12.970 5.809 1.00 0.00 N ATOM 0 H LYS A 49 1.472 -6.553 5.143 1.00 0.00 H new ATOM 0 HA LYS A 49 0.481 -8.636 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.053 -8.810 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.554 -8.137 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.216 -9.999 4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.262 -10.765 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.541 -11.060 7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.721 -9.773 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.113 -11.642 6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.785 -11.329 5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.462 -13.652 5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.987 -12.951 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.305 -13.255 6.717 1.00 0.00 H new ATOM 742 N VAL A 50 -1.206 -7.124 2.338 1.00 0.00 N ATOM 743 CA VAL A 50 -2.365 -6.451 1.778 1.00 0.00 C ATOM 744 C VAL A 50 -3.476 -7.475 1.534 1.00 0.00 C ATOM 745 O VAL A 50 -3.262 -8.478 0.855 1.00 0.00 O ATOM 746 CB VAL A 50 -1.967 -5.688 0.513 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.992 -4.602 0.181 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.564 -5.094 0.650 1.00 0.00 C ATOM 0 H VAL A 50 -0.590 -7.557 1.650 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.753 -5.712 2.479 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.952 -6.397 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.684 -4.075 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.968 -5.060 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.055 -3.896 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.306 -4.557 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.541 -4.406 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.156 -5.896 0.816 1.00 0.00 H new ATOM 758 N MET A 51 -4.638 -7.186 2.101 1.00 0.00 N ATOM 759 CA MET A 51 -5.783 -8.069 1.954 1.00 0.00 C ATOM 760 C MET A 51 -6.751 -7.539 0.893 1.00 0.00 C ATOM 761 O MET A 51 -6.643 -6.391 0.467 1.00 0.00 O ATOM 762 CB MET A 51 -6.510 -8.190 3.294 1.00 0.00 C ATOM 763 CG MET A 51 -6.007 -9.400 4.084 1.00 0.00 C ATOM 764 SD MET A 51 -7.341 -10.557 4.343 1.00 0.00 S ATOM 765 CE MET A 51 -7.442 -11.282 2.714 1.00 0.00 C ATOM 0 H MET A 51 -4.811 -6.353 2.663 1.00 0.00 H new ATOM 0 HA MET A 51 -5.425 -9.048 1.636 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.358 -7.282 3.877 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.582 -8.283 3.123 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.194 -9.885 3.544 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.604 -9.076 5.044 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.327 -10.904 2.202 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.552 -11.019 2.143 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.509 -12.366 2.802 1.00 0.00 H new ATOM 775 N VAL A 52 -7.674 -8.403 0.498 1.00 0.00 N ATOM 776 CA VAL A 52 -8.660 -8.037 -0.505 1.00 0.00 C ATOM 777 C VAL A 52 -10.050 -8.463 -0.026 1.00 0.00 C ATOM 778 O VAL A 52 -10.177 -9.372 0.793 1.00 0.00 O ATOM 779 CB VAL A 52 -8.282 -8.644 -1.857 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.172 -8.093 -2.974 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.803 -8.409 -2.169 1.00 0.00 C ATOM 0 H VAL A 52 -7.760 -9.355 0.854 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.680 -6.956 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.445 -9.720 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.882 -8.541 -3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.214 -8.334 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.055 -7.011 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.560 -8.850 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.603 -7.338 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.190 -8.871 -1.395 1.00 0.00 H new ATOM 791 N LYS A 53 -11.057 -7.785 -0.558 1.00 0.00 N ATOM 792 CA LYS A 53 -12.432 -8.082 -0.195 1.00 0.00 C ATOM 793 C LYS A 53 -12.573 -9.582 0.071 1.00 0.00 C ATOM 794 O LYS A 53 -13.286 -9.989 0.987 1.00 0.00 O ATOM 795 CB LYS A 53 -13.394 -7.554 -1.262 1.00 0.00 C ATOM 796 CG LYS A 53 -13.330 -6.027 -1.351 1.00 0.00 C ATOM 797 CD LYS A 53 -14.555 -5.388 -0.694 1.00 0.00 C ATOM 798 CE LYS A 53 -14.280 -3.930 -0.323 1.00 0.00 C ATOM 799 NZ LYS A 53 -15.215 -3.477 0.730 1.00 0.00 N ATOM 0 H LYS A 53 -10.948 -7.032 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.701 -7.568 0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.144 -7.989 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.411 -7.866 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.423 -5.668 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.273 -5.722 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.405 -5.440 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.827 -5.949 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.253 -3.825 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.383 -3.299 -1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.014 -2.485 0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.193 -3.558 0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.097 -4.069 1.577 1.00 0.00 H new ATOM 813 N GLY A 54 -11.882 -10.363 -0.746 1.00 0.00 N ATOM 814 CA GLY A 54 -11.921 -11.809 -0.611 1.00 0.00 C ATOM 815 C GLY A 54 -10.692 -12.453 -1.256 1.00 0.00 C ATOM 816 O GLY A 54 -10.803 -13.482 -1.921 1.00 0.00 O ATOM 0 H GLY A 54 -11.292 -10.021 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.965 -12.078 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.826 -12.197 -1.077 1.00 0.00 H new ATOM 820 N GLY A 55 -9.548 -11.821 -1.037 1.00 0.00 N ATOM 821 CA GLY A 55 -8.300 -12.320 -1.589 1.00 0.00 C ATOM 822 C GLY A 55 -7.106 -11.537 -1.039 1.00 0.00 C ATOM 823 O GLY A 55 -7.244 -10.781 -0.079 1.00 0.00 O ATOM 0 H GLY A 55 -9.459 -10.968 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.188 -13.377 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.322 -12.241 -2.676 1.00 0.00 H new ATOM 827 N THR A 56 -5.961 -11.746 -1.672 1.00 0.00 N ATOM 828 CA THR A 56 -4.743 -11.069 -1.258 1.00 0.00 C ATOM 829 C THR A 56 -4.011 -10.498 -2.474 1.00 0.00 C ATOM 830 O THR A 56 -4.013 -11.103 -3.545 1.00 0.00 O ATOM 831 CB THR A 56 -3.901 -12.061 -0.453 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.737 -12.413 0.647 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.684 -11.402 0.200 1.00 0.00 C ATOM 0 H THR A 56 -5.851 -12.374 -2.468 1.00 0.00 H new ATOM 0 HA THR A 56 -4.963 -10.214 -0.619 1.00 0.00 H new ATOM 0 HB THR A 56 -3.570 -12.869 -1.105 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.269 -13.055 1.221 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.121 -12.150 0.759 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.047 -10.970 -0.571 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.016 -10.616 0.878 1.00 0.00 H new ATOM 841 N LEU A 57 -3.403 -9.339 -2.267 1.00 0.00 N ATOM 842 CA LEU A 57 -2.669 -8.679 -3.333 1.00 0.00 C ATOM 843 C LEU A 57 -1.442 -9.518 -3.697 1.00 0.00 C ATOM 844 O LEU A 57 -0.664 -9.898 -2.824 1.00 0.00 O ATOM 845 CB LEU A 57 -2.334 -7.238 -2.941 1.00 0.00 C ATOM 846 CG LEU A 57 -2.708 -6.161 -3.960 1.00 0.00 C ATOM 847 CD1 LEU A 57 -2.166 -4.794 -3.537 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.244 -6.551 -5.365 1.00 0.00 C ATOM 0 H LEU A 57 -3.404 -8.840 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.284 -8.606 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.838 -7.012 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.263 -7.174 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.795 -6.082 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.446 -4.046 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.586 -4.520 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.080 -4.841 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.522 -5.768 -6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.161 -6.675 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.718 -7.488 -5.658 1.00 0.00 H new ATOM 860 N LYS A 58 -1.308 -9.783 -4.989 1.00 0.00 N ATOM 861 CA LYS A 58 -0.190 -10.570 -5.479 1.00 0.00 C ATOM 862 C LYS A 58 1.082 -9.720 -5.441 1.00 0.00 C ATOM 863 O LYS A 58 1.078 -8.614 -4.902 1.00 0.00 O ATOM 864 CB LYS A 58 -0.504 -11.144 -6.862 1.00 0.00 C ATOM 865 CG LYS A 58 -1.422 -12.364 -6.753 1.00 0.00 C ATOM 866 CD LYS A 58 -1.519 -13.098 -8.091 1.00 0.00 C ATOM 867 CE LYS A 58 -2.644 -14.134 -8.068 1.00 0.00 C ATOM 868 NZ LYS A 58 -2.088 -15.502 -7.966 1.00 0.00 N ATOM 0 H LYS A 58 -1.956 -9.466 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.019 -11.431 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.979 -10.380 -7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.423 -11.425 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.042 -13.042 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.416 -12.049 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.697 -12.380 -8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.571 -13.590 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.307 -13.941 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.246 -14.046 -8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.866 -16.193 -7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.474 -15.689 -8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.533 -15.587 -7.090 1.00 0.00 H new ATOM 882 N ASP A 59 2.140 -10.269 -6.020 1.00 0.00 N ATOM 883 CA ASP A 59 3.416 -9.575 -6.059 1.00 0.00 C ATOM 884 C ASP A 59 3.953 -9.585 -7.492 1.00 0.00 C ATOM 885 O ASP A 59 4.396 -8.556 -7.999 1.00 0.00 O ATOM 886 CB ASP A 59 4.446 -10.266 -5.163 1.00 0.00 C ATOM 887 CG ASP A 59 4.435 -11.794 -5.225 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.585 -12.384 -4.522 1.00 0.00 O ATOM 889 OD2 ASP A 59 5.276 -12.339 -5.972 1.00 0.00 O ATOM 0 H ASP A 59 2.140 -11.186 -6.466 1.00 0.00 H new ATOM 0 HA ASP A 59 3.257 -8.556 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.440 -9.913 -5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.273 -9.958 -4.132 1.00 0.00 H new ATOM 894 N ASP A 60 3.896 -10.759 -8.103 1.00 0.00 N ATOM 895 CA ASP A 60 4.371 -10.916 -9.468 1.00 0.00 C ATOM 896 C ASP A 60 3.460 -10.132 -10.414 1.00 0.00 C ATOM 897 O ASP A 60 3.939 -9.389 -11.269 1.00 0.00 O ATOM 898 CB ASP A 60 4.344 -12.385 -9.894 1.00 0.00 C ATOM 899 CG ASP A 60 5.180 -12.714 -11.132 1.00 0.00 C ATOM 900 OD1 ASP A 60 5.447 -11.769 -11.905 1.00 0.00 O ATOM 901 OD2 ASP A 60 5.535 -13.904 -11.278 1.00 0.00 O ATOM 0 H ASP A 60 3.528 -11.611 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 60 5.395 -10.546 -9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.697 -12.995 -9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.310 -12.674 -10.085 1.00 0.00 H new ATOM 906 N ASP A 61 2.162 -10.324 -10.229 1.00 0.00 N ATOM 907 CA ASP A 61 1.180 -9.644 -11.056 1.00 0.00 C ATOM 908 C ASP A 61 -0.206 -9.797 -10.425 1.00 0.00 C ATOM 909 O ASP A 61 -0.457 -10.756 -9.697 1.00 0.00 O ATOM 910 CB ASP A 61 1.129 -10.248 -12.460 1.00 0.00 C ATOM 911 CG ASP A 61 2.408 -10.080 -13.283 1.00 0.00 C ATOM 912 OD1 ASP A 61 3.284 -10.961 -13.156 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.480 -9.073 -14.021 1.00 0.00 O ATOM 0 H ASP A 61 1.768 -10.941 -9.519 1.00 0.00 H new ATOM 0 HA ASP A 61 1.467 -8.595 -11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.907 -11.312 -12.374 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.302 -9.793 -13.005 1.00 0.00 H new ATOM 918 N TRP A 62 -1.068 -8.838 -10.727 1.00 0.00 N ATOM 919 CA TRP A 62 -2.422 -8.855 -10.198 1.00 0.00 C ATOM 920 C TRP A 62 -3.086 -10.160 -10.640 1.00 0.00 C ATOM 921 O TRP A 62 -3.530 -10.948 -9.806 1.00 0.00 O ATOM 922 CB TRP A 62 -3.197 -7.611 -10.638 1.00 0.00 C ATOM 923 CG TRP A 62 -2.576 -6.293 -10.172 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.527 -5.644 -10.695 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.011 -5.484 -9.058 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.255 -4.481 -10.004 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.187 -4.381 -8.977 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.067 -5.678 -8.150 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.331 -3.385 -8.003 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.198 -4.674 -7.183 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.376 -3.558 -7.088 1.00 0.00 C ATOM 0 H TRP A 62 -0.856 -8.044 -11.331 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.411 -8.822 -9.109 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.265 -7.604 -11.726 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.216 -7.676 -10.255 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.965 -5.988 -11.550 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.508 -3.817 -10.209 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.725 -6.533 -8.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.672 -2.530 -7.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.994 -4.774 -6.460 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.543 -2.827 -6.311 1.00 0.00 H new ATOM 942 N GLY A 63 -3.132 -10.350 -11.951 1.00 0.00 N ATOM 943 CA GLY A 63 -3.734 -11.547 -12.513 1.00 0.00 C ATOM 944 C GLY A 63 -5.183 -11.288 -12.929 1.00 0.00 C ATOM 945 O GLY A 63 -5.442 -10.834 -14.043 1.00 0.00 O ATOM 0 H GLY A 63 -2.762 -9.695 -12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.157 -11.877 -13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.701 -12.353 -11.780 1.00 0.00 H new ATOM 949 N ASN A 64 -6.091 -11.587 -12.011 1.00 0.00 N ATOM 950 CA ASN A 64 -7.508 -11.392 -12.269 1.00 0.00 C ATOM 951 C ASN A 64 -8.191 -10.895 -10.993 1.00 0.00 C ATOM 952 O ASN A 64 -9.212 -11.441 -10.579 1.00 0.00 O ATOM 953 CB ASN A 64 -8.178 -12.703 -12.684 1.00 0.00 C ATOM 954 CG ASN A 64 -7.938 -12.997 -14.166 1.00 0.00 C ATOM 955 OD1 ASN A 64 -6.689 -13.356 -14.451 1.00 0.00 O flip ATOM 956 ND2 ASN A 64 -8.827 -12.903 -14.996 1.00 0.00 N flip ATOM 0 H ASN A 64 -5.873 -11.963 -11.088 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.607 -10.666 -13.076 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.788 -13.522 -12.079 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.249 -12.645 -12.490 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.765 -12.622 -14.709 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.633 -13.105 -15.977 1.00 0.00 H new ATOM 963 N ILE A 65 -7.598 -9.867 -10.405 1.00 0.00 N ATOM 964 CA ILE A 65 -8.136 -9.290 -9.184 1.00 0.00 C ATOM 965 C ILE A 65 -9.264 -8.319 -9.538 1.00 0.00 C ATOM 966 O ILE A 65 -9.183 -7.605 -10.537 1.00 0.00 O ATOM 967 CB ILE A 65 -7.019 -8.659 -8.352 1.00 0.00 C ATOM 968 CG1 ILE A 65 -5.966 -9.701 -7.966 1.00 0.00 C ATOM 969 CG2 ILE A 65 -7.587 -7.938 -7.128 1.00 0.00 C ATOM 970 CD1 ILE A 65 -4.848 -9.068 -7.135 1.00 0.00 C ATOM 0 H ILE A 65 -6.750 -9.418 -10.751 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.570 -10.067 -8.554 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.520 -7.909 -8.965 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.435 -10.505 -7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.546 -10.149 -8.866 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.771 -7.498 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.268 -7.151 -7.453 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.127 -8.650 -6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.113 -9.829 -6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.365 -8.281 -7.714 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.268 -8.642 -6.224 1.00 0.00 H new ATOM 982 N LYS A 66 -10.290 -8.322 -8.699 1.00 0.00 N ATOM 983 CA LYS A 66 -11.432 -7.450 -8.911 1.00 0.00 C ATOM 984 C LYS A 66 -11.215 -6.139 -8.152 1.00 0.00 C ATOM 985 O LYS A 66 -11.800 -5.928 -7.091 1.00 0.00 O ATOM 986 CB LYS A 66 -12.731 -8.168 -8.539 1.00 0.00 C ATOM 987 CG LYS A 66 -13.234 -9.028 -9.700 1.00 0.00 C ATOM 988 CD LYS A 66 -14.257 -8.265 -10.544 1.00 0.00 C ATOM 989 CE LYS A 66 -14.519 -8.982 -11.870 1.00 0.00 C ATOM 990 NZ LYS A 66 -15.544 -10.036 -11.695 1.00 0.00 N ATOM 0 H LYS A 66 -10.354 -8.915 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.526 -7.196 -9.967 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.566 -8.795 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.491 -7.435 -8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.393 -9.329 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.686 -9.941 -9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.190 -8.167 -9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.893 -7.256 -10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.852 -8.264 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.594 -9.424 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.710 -10.513 -12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.212 -10.730 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.431 -9.606 -11.362 1.00 0.00 H new ATOM 1004 N MET A 67 -10.373 -5.293 -8.726 1.00 0.00 N ATOM 1005 CA MET A 67 -10.071 -4.008 -8.117 1.00 0.00 C ATOM 1006 C MET A 67 -11.086 -2.947 -8.545 1.00 0.00 C ATOM 1007 O MET A 67 -11.580 -2.973 -9.671 1.00 0.00 O ATOM 1008 CB MET A 67 -8.665 -3.566 -8.528 1.00 0.00 C ATOM 1009 CG MET A 67 -7.615 -4.579 -8.068 1.00 0.00 C ATOM 1010 SD MET A 67 -7.604 -4.682 -6.286 1.00 0.00 S ATOM 1011 CE MET A 67 -6.914 -3.084 -5.889 1.00 0.00 C ATOM 0 H MET A 67 -9.890 -5.472 -9.606 1.00 0.00 H new ATOM 0 HA MET A 67 -10.124 -4.118 -7.034 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.617 -3.454 -9.611 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.446 -2.589 -8.097 1.00 0.00 H new ATOM 0 HG2 MET A 67 -7.831 -5.558 -8.496 1.00 0.00 H new ATOM 0 HG3 MET A 67 -6.630 -4.283 -8.429 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.311 -3.163 -4.984 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.288 -2.743 -6.714 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.721 -2.369 -5.727 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.368 -2.038 -7.623 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.315 -0.969 -7.891 1.00 0.00 C ATOM 1023 C LYS A 68 -11.822 0.321 -7.232 1.00 0.00 C ATOM 1024 O LYS A 68 -11.043 0.278 -6.282 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.724 -1.381 -7.459 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.284 -2.468 -8.378 1.00 0.00 C ATOM 1027 CD LYS A 68 -15.466 -3.186 -7.723 1.00 0.00 C ATOM 1028 CE LYS A 68 -14.982 -4.254 -6.741 1.00 0.00 C ATOM 1029 NZ LYS A 68 -14.917 -5.576 -7.403 1.00 0.00 N ATOM 0 H LYS A 68 -10.957 -2.020 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.378 -0.776 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.701 -1.745 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.382 -0.512 -7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.602 -2.023 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.501 -3.189 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.091 -2.462 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.087 -3.647 -8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.998 -3.984 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.656 -4.302 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.430 -6.252 -6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.881 -5.915 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.394 -5.491 -8.298 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.298 1.438 -7.764 1.00 0.00 N ATOM 1044 CA ASN A 69 -11.915 2.738 -7.239 1.00 0.00 C ATOM 1045 C ASN A 69 -12.894 3.147 -6.137 1.00 0.00 C ATOM 1046 O ASN A 69 -14.091 3.286 -6.385 1.00 0.00 O ATOM 1047 CB ASN A 69 -11.960 3.808 -8.332 1.00 0.00 C ATOM 1048 CG ASN A 69 -13.234 3.683 -9.169 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -13.176 2.739 -10.104 1.00 0.00 O flip ATOM 1050 ND2 ASN A 69 -14.205 4.397 -8.979 1.00 0.00 N flip ATOM 0 H ASN A 69 -12.945 1.469 -8.552 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.899 2.659 -6.852 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.914 4.798 -7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.086 3.712 -8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.183 5.103 -8.243 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.039 4.288 -9.556 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.349 3.328 -4.943 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.160 3.718 -3.802 1.00 0.00 C ATOM 1059 C GLY A 70 -13.039 2.697 -2.668 1.00 0.00 C ATOM 1060 O GLY A 70 -13.264 3.027 -1.505 1.00 0.00 O ATOM 0 H GLY A 70 -11.356 3.212 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.846 4.700 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.203 3.807 -4.106 1.00 0.00 H new ATOM 1064 N MET A 71 -12.683 1.479 -3.048 1.00 0.00 N ATOM 1065 CA MET A 71 -12.529 0.408 -2.078 1.00 0.00 C ATOM 1066 C MET A 71 -11.478 0.768 -1.026 1.00 0.00 C ATOM 1067 O MET A 71 -10.880 1.842 -1.082 1.00 0.00 O ATOM 1068 CB MET A 71 -12.112 -0.877 -2.797 1.00 0.00 C ATOM 1069 CG MET A 71 -10.632 -0.834 -3.182 1.00 0.00 C ATOM 1070 SD MET A 71 -9.736 -2.106 -2.308 1.00 0.00 S ATOM 1071 CE MET A 71 -10.619 -3.551 -2.874 1.00 0.00 C ATOM 0 H MET A 71 -12.497 1.210 -4.014 1.00 0.00 H new ATOM 0 HA MET A 71 -13.484 0.260 -1.575 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.299 -1.736 -2.152 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.720 -1.011 -3.691 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.523 -0.975 -4.257 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.214 0.145 -2.945 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.935 -4.398 -2.927 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.426 -3.780 -2.178 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.036 -3.359 -3.863 1.00 0.00 H new ATOM 1081 N THR A 72 -11.284 -0.150 -0.090 1.00 0.00 N ATOM 1082 CA THR A 72 -10.316 0.057 0.973 1.00 0.00 C ATOM 1083 C THR A 72 -9.256 -1.046 0.952 1.00 0.00 C ATOM 1084 O THR A 72 -9.582 -2.222 0.795 1.00 0.00 O ATOM 1085 CB THR A 72 -11.078 0.143 2.297 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.425 1.520 2.409 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.179 -0.115 3.508 1.00 0.00 C ATOM 0 H THR A 72 -11.781 -1.039 -0.046 1.00 0.00 H new ATOM 0 HA THR A 72 -9.771 0.991 0.834 1.00 0.00 H new ATOM 0 HB THR A 72 -11.896 -0.578 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.924 1.665 3.240 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.769 -0.042 4.421 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.747 -1.113 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.380 0.626 3.532 1.00 0.00 H new ATOM 1095 N VAL A 73 -8.009 -0.628 1.112 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.900 -1.567 1.113 1.00 0.00 C ATOM 1097 C VAL A 73 -6.390 -1.745 2.545 1.00 0.00 C ATOM 1098 O VAL A 73 -5.907 -0.794 3.158 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.813 -1.094 0.146 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.487 -1.806 0.420 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.250 -1.288 -1.307 1.00 0.00 C ATOM 0 H VAL A 73 -7.742 0.348 1.242 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.227 -2.545 0.760 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.660 -0.027 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.732 -1.451 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.164 -1.594 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.619 -2.881 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.459 -0.944 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.445 -2.345 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.158 -0.714 -1.494 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.514 -2.969 3.035 1.00 0.00 N ATOM 1112 CA LEU A 74 -6.071 -3.284 4.383 1.00 0.00 C ATOM 1113 C LEU A 74 -4.588 -3.655 4.354 1.00 0.00 C ATOM 1114 O LEU A 74 -4.184 -4.559 3.623 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.964 -4.362 5.002 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.869 -4.519 6.521 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.459 -4.936 6.943 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.328 -3.246 7.234 1.00 0.00 C ATOM 0 H LEU A 74 -6.915 -3.755 2.523 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.169 -2.412 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.000 -4.141 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.718 -5.319 4.541 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.545 -5.319 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.420 -5.040 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.207 -5.889 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.745 -4.176 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.250 -3.385 8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.697 -2.411 6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.364 -3.034 6.969 1.00 0.00 H new ATOM 1130 N MET A 75 -3.815 -2.940 5.159 1.00 0.00 N ATOM 1131 CA MET A 75 -2.385 -3.183 5.235 1.00 0.00 C ATOM 1132 C MET A 75 -1.966 -3.549 6.660 1.00 0.00 C ATOM 1133 O MET A 75 -2.242 -2.807 7.602 1.00 0.00 O ATOM 1134 CB MET A 75 -1.629 -1.931 4.785 1.00 0.00 C ATOM 1135 CG MET A 75 -0.383 -2.302 3.979 1.00 0.00 C ATOM 1136 SD MET A 75 0.667 -0.872 3.785 1.00 0.00 S ATOM 1137 CE MET A 75 1.753 -1.093 5.184 1.00 0.00 C ATOM 0 H MET A 75 -4.153 -2.192 5.764 1.00 0.00 H new ATOM 0 HA MET A 75 -2.142 -4.019 4.579 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.284 -1.304 4.180 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.341 -1.343 5.656 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.163 -3.098 4.484 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.673 -2.685 3.001 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.485 -0.385 5.968 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.654 -2.110 5.564 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.784 -0.920 4.875 1.00 0.00 H new ATOM 1147 N MET A 76 -1.305 -4.691 6.774 1.00 0.00 N ATOM 1148 CA MET A 76 -0.845 -5.164 8.068 1.00 0.00 C ATOM 1149 C MET A 76 0.678 -5.308 8.090 1.00 0.00 C ATOM 1150 O MET A 76 1.249 -6.024 7.269 1.00 0.00 O ATOM 1151 CB MET A 76 -1.490 -6.517 8.377 1.00 0.00 C ATOM 1152 CG MET A 76 -2.906 -6.336 8.929 1.00 0.00 C ATOM 1153 SD MET A 76 -3.081 -7.229 10.464 1.00 0.00 S ATOM 1154 CE MET A 76 -2.808 -5.902 11.627 1.00 0.00 C ATOM 0 H MET A 76 -1.077 -5.303 5.991 1.00 0.00 H new ATOM 0 HA MET A 76 -1.133 -4.433 8.824 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.523 -7.123 7.472 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.880 -7.058 9.101 1.00 0.00 H new ATOM 0 HG2 MET A 76 -3.110 -5.277 9.089 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.637 -6.695 8.204 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.882 -6.288 12.644 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.815 -5.480 11.471 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.560 -5.127 11.477 1.00 0.00 H new ATOM 1164 N GLY A 77 1.292 -4.616 9.038 1.00 0.00 N ATOM 1165 CA GLY A 77 2.738 -4.657 9.177 1.00 0.00 C ATOM 1166 C GLY A 77 3.180 -4.027 10.499 1.00 0.00 C ATOM 1167 O GLY A 77 2.421 -4.009 11.467 1.00 0.00 O ATOM 0 H GLY A 77 0.815 -4.024 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.082 -5.690 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.202 -4.128 8.345 1.00 0.00 H new ATOM 1171 N SER A 78 4.406 -3.524 10.498 1.00 0.00 N ATOM 1172 CA SER A 78 4.958 -2.894 11.685 1.00 0.00 C ATOM 1173 C SER A 78 6.089 -1.942 11.294 1.00 0.00 C ATOM 1174 O SER A 78 6.134 -0.802 11.755 1.00 0.00 O ATOM 1175 CB SER A 78 5.465 -3.941 12.679 1.00 0.00 C ATOM 1176 OG SER A 78 4.473 -4.287 13.642 1.00 0.00 O ATOM 0 H SER A 78 5.033 -3.540 9.693 1.00 0.00 H new ATOM 0 HA SER A 78 4.165 -2.325 12.171 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.773 -4.836 12.138 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.348 -3.558 13.190 1.00 0.00 H new ATOM 0 HG SER A 78 3.590 -4.287 13.217 1.00 0.00 H new ATOM 1182 N ALA A 79 6.977 -2.444 10.448 1.00 0.00 N ATOM 1183 CA ALA A 79 8.105 -1.652 9.990 1.00 0.00 C ATOM 1184 C ALA A 79 9.073 -1.430 11.154 1.00 0.00 C ATOM 1185 O ALA A 79 9.176 -0.322 11.678 1.00 0.00 O ATOM 1186 CB ALA A 79 7.598 -0.337 9.395 1.00 0.00 C ATOM 0 H ALA A 79 6.938 -3.390 10.068 1.00 0.00 H new ATOM 0 HA ALA A 79 8.648 -2.177 9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.445 0.257 9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.938 -0.549 8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.049 0.219 10.155 1.00 0.00 H new