USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 563 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 51 SER OG : rot -120:sc= 0.161 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0.00565 USER MOD Set 1.3: A 53 ASN : amide:sc= 1.46 K(o=1.6,f=-4.4!) USER MOD Set 2.1: A 33 LYS NZ :NH3+ 164:sc= 0.653 (180deg=0) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.592 K(o=1.2,f=-1.1) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 82:sc= 0.314 USER MOD Single : A 14 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 17 MET CE :methyl 180:sc= -0.266 (180deg=-0.266) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 35 MET CE :methyl -129:sc= 0 (180deg=-0.0571) USER MOD Single : A 36 CYS SG : rot 30:sc= -0.109 USER MOD Single : A 44 ASN : amide:sc= 0.0457 K(o=0.046,f=-1.6!) USER MOD Single : A 45 TYR OH : rot -152:sc= 0.0192 USER MOD Single : A 48 MET CE :methyl -179:sc= 0 (180deg=-0.00129) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.551 K(o=0.55,f=-0.028) USER MOD Single : A 59 SER OG : rot 70:sc= 0.938 USER MOD Single : A 60 ASN : amide:sc= 0.503 K(o=0.5,f=-0.9) USER MOD Single : A 67 ASN : amide:sc= 0.986 K(o=0.99,f=-7.4!) USER MOD Single : A 68 TYR OH : rot 120:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 4 6.933 -2.343 -2.941 1.00 0.00 N ATOM 69 CA ILE A 4 5.828 -1.510 -3.466 1.00 0.00 C ATOM 70 C ILE A 4 5.673 -0.190 -2.696 1.00 0.00 C ATOM 71 O ILE A 4 5.384 0.851 -3.286 1.00 0.00 O ATOM 72 CB ILE A 4 4.516 -2.328 -3.531 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.365 -1.590 -4.249 1.00 0.00 C ATOM 74 CG2 ILE A 4 4.021 -2.758 -2.137 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.661 -1.215 -5.704 1.00 0.00 C ATOM 0 HA ILE A 4 6.081 -1.219 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 4 4.781 -3.209 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.475 -2.219 -4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.130 -0.682 -3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.098 -3.329 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.779 -3.377 -1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.835 -1.873 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.799 -0.701 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.530 -0.558 -5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.865 -2.119 -6.278 1.00 0.00 H new ATOM 87 N LYS A 5 5.964 -0.201 -1.395 1.00 0.00 N ATOM 88 CA LYS A 5 5.990 0.995 -0.546 1.00 0.00 C ATOM 89 C LYS A 5 7.137 1.928 -0.977 1.00 0.00 C ATOM 90 O LYS A 5 6.936 3.127 -1.176 1.00 0.00 O ATOM 91 CB LYS A 5 6.079 0.501 0.914 1.00 0.00 C ATOM 92 CG LYS A 5 5.643 1.501 2.000 1.00 0.00 C ATOM 93 CD LYS A 5 6.597 2.677 2.274 1.00 0.00 C ATOM 94 CE LYS A 5 7.986 2.187 2.711 1.00 0.00 C ATOM 95 NZ LYS A 5 8.883 3.307 3.100 1.00 0.00 N ATOM 0 H LYS A 5 6.193 -1.057 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 5 5.090 1.602 -0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.467 -0.396 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.109 0.207 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.672 1.908 1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.501 0.953 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.692 3.287 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.175 3.316 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.879 1.501 3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.443 1.624 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.808 2.927 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.008 3.949 2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.462 3.829 3.894 1.00 0.00 H new ATOM 109 N ASN A 6 8.321 1.363 -1.228 1.00 0.00 N ATOM 110 CA ASN A 6 9.470 2.068 -1.796 1.00 0.00 C ATOM 111 C ASN A 6 9.232 2.525 -3.248 1.00 0.00 C ATOM 112 O ASN A 6 9.736 3.576 -3.639 1.00 0.00 O ATOM 113 CB ASN A 6 10.703 1.157 -1.707 1.00 0.00 C ATOM 114 CG ASN A 6 11.981 1.873 -2.142 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.353 2.906 -1.598 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.684 1.351 -3.132 1.00 0.00 N ATOM 0 H ASN A 6 8.510 0.379 -1.037 1.00 0.00 H new ATOM 0 HA ASN A 6 9.630 2.977 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.818 0.802 -0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.550 0.278 -2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.540 1.808 -3.446 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.371 0.491 -3.582 1.00 0.00 H new ATOM 123 N PHE A 7 8.431 1.795 -4.037 1.00 0.00 N ATOM 124 CA PHE A 7 8.091 2.184 -5.410 1.00 0.00 C ATOM 125 C PHE A 7 7.206 3.435 -5.434 1.00 0.00 C ATOM 126 O PHE A 7 7.489 4.354 -6.200 1.00 0.00 O ATOM 127 CB PHE A 7 7.437 1.010 -6.149 1.00 0.00 C ATOM 128 CG PHE A 7 7.003 1.332 -7.566 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.914 1.210 -8.632 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.689 1.770 -7.820 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.511 1.518 -9.943 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.290 2.087 -9.130 1.00 0.00 C ATOM 133 CZ PHE A 7 6.199 1.956 -10.194 1.00 0.00 C ATOM 0 H PHE A 7 8.001 0.919 -3.740 1.00 0.00 H new ATOM 0 HA PHE A 7 9.012 2.440 -5.933 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.139 0.176 -6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.568 0.677 -5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.924 0.879 -8.442 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.986 1.863 -7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.211 1.418 -10.759 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.284 2.432 -9.319 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.890 2.191 -11.202 1.00 0.00 H new ATOM 143 N LEU A 8 6.194 3.521 -4.557 1.00 0.00 N ATOM 144 CA LEU A 8 5.402 4.746 -4.392 1.00 0.00 C ATOM 145 C LEU A 8 6.273 5.907 -3.896 1.00 0.00 C ATOM 146 O LEU A 8 6.196 7.010 -4.434 1.00 0.00 O ATOM 147 CB LEU A 8 4.216 4.476 -3.446 1.00 0.00 C ATOM 148 CG LEU A 8 3.283 5.692 -3.238 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.751 6.285 -4.553 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.092 5.278 -2.363 1.00 0.00 C ATOM 0 H LEU A 8 5.906 2.753 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 8 5.005 5.043 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.631 3.646 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.603 4.159 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 8 3.881 6.464 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.104 7.134 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.588 6.616 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.184 5.526 -5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.434 6.134 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.540 4.477 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.455 4.929 -1.396 1.00 0.00 H new ATOM 162 N TYR A 9 7.145 5.659 -2.914 1.00 0.00 N ATOM 163 CA TYR A 9 8.050 6.677 -2.374 1.00 0.00 C ATOM 164 C TYR A 9 9.032 7.226 -3.430 1.00 0.00 C ATOM 165 O TYR A 9 9.231 8.438 -3.518 1.00 0.00 O ATOM 166 CB TYR A 9 8.787 6.094 -1.162 1.00 0.00 C ATOM 167 CG TYR A 9 9.563 7.122 -0.362 1.00 0.00 C ATOM 168 CD1 TYR A 9 10.906 7.405 -0.681 1.00 0.00 C ATOM 169 CD2 TYR A 9 8.936 7.804 0.699 1.00 0.00 C ATOM 170 CE1 TYR A 9 11.619 8.373 0.051 1.00 0.00 C ATOM 171 CE2 TYR A 9 9.644 8.772 1.438 1.00 0.00 C ATOM 172 CZ TYR A 9 10.989 9.063 1.113 1.00 0.00 C ATOM 173 OH TYR A 9 11.684 9.997 1.820 1.00 0.00 O ATOM 0 H TYR A 9 7.243 4.746 -2.471 1.00 0.00 H new ATOM 0 HA TYR A 9 7.455 7.535 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.063 5.610 -0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.474 5.320 -1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.390 6.877 -1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.908 7.584 0.947 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.647 8.589 -0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.160 9.291 2.252 1.00 0.00 H new ATOM 0 HH TYR A 9 11.107 10.379 2.514 1.00 0.00 H new ATOM 183 N ALA A 10 9.592 6.355 -4.275 1.00 0.00 N ATOM 184 CA ALA A 10 10.474 6.723 -5.386 1.00 0.00 C ATOM 185 C ALA A 10 9.726 7.449 -6.518 1.00 0.00 C ATOM 186 O ALA A 10 10.240 8.424 -7.068 1.00 0.00 O ATOM 187 CB ALA A 10 11.159 5.447 -5.895 1.00 0.00 C ATOM 0 H ALA A 10 9.440 5.349 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 10 11.220 7.432 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.822 5.696 -6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.739 4.999 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.403 4.739 -6.235 1.00 0.00 H new ATOM 193 N TRP A 11 8.495 7.029 -6.830 1.00 0.00 N ATOM 194 CA TRP A 11 7.627 7.694 -7.805 1.00 0.00 C ATOM 195 C TRP A 11 7.261 9.119 -7.368 1.00 0.00 C ATOM 196 O TRP A 11 7.301 10.054 -8.165 1.00 0.00 O ATOM 197 CB TRP A 11 6.361 6.856 -8.008 1.00 0.00 C ATOM 198 CG TRP A 11 5.410 7.457 -8.994 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.365 7.185 -10.317 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.382 8.467 -8.757 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.419 7.990 -10.922 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.792 8.810 -10.009 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.882 9.123 -7.610 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.785 9.779 -10.116 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.857 10.080 -7.705 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.314 10.416 -8.956 1.00 0.00 C ATOM 0 H TRP A 11 8.069 6.205 -6.405 1.00 0.00 H new ATOM 0 HA TRP A 11 8.171 7.777 -8.746 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.643 5.859 -8.346 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.854 6.736 -7.050 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.975 6.451 -10.823 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.211 7.979 -11.920 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.295 8.884 -6.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.375 10.034 -11.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.485 10.559 -6.812 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.536 11.162 -9.026 1.00 0.00 H new ATOM 217 N CYS A 12 6.965 9.298 -6.080 1.00 0.00 N ATOM 218 CA CYS A 12 6.785 10.619 -5.478 1.00 0.00 C ATOM 219 C CYS A 12 8.083 11.444 -5.543 1.00 0.00 C ATOM 220 O CYS A 12 8.059 12.595 -5.978 1.00 0.00 O ATOM 221 CB CYS A 12 6.321 10.442 -4.029 1.00 0.00 C ATOM 222 SG CYS A 12 4.650 9.737 -3.951 1.00 0.00 S ATOM 0 H CYS A 12 6.843 8.528 -5.423 1.00 0.00 H new ATOM 0 HA CYS A 12 6.029 11.169 -6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.017 9.792 -3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.335 11.406 -3.520 1.00 0.00 H new ATOM 0 HG CYS A 12 4.716 8.447 -4.095 1.00 0.00 H new ATOM 228 N GLY A 13 9.221 10.852 -5.169 1.00 0.00 N ATOM 229 CA GLY A 13 10.499 11.551 -4.998 1.00 0.00 C ATOM 230 C GLY A 13 11.106 12.050 -6.309 1.00 0.00 C ATOM 231 O GLY A 13 11.765 13.088 -6.316 1.00 0.00 O ATOM 0 H GLY A 13 9.281 9.853 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.352 12.399 -4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.208 10.881 -4.512 1.00 0.00 H new ATOM 235 N LYS A 14 10.827 11.380 -7.433 1.00 0.00 N ATOM 236 CA LYS A 14 11.289 11.814 -8.764 1.00 0.00 C ATOM 237 C LYS A 14 10.431 12.951 -9.351 1.00 0.00 C ATOM 238 O LYS A 14 10.865 13.683 -10.243 1.00 0.00 O ATOM 239 CB LYS A 14 11.405 10.587 -9.682 1.00 0.00 C ATOM 240 CG LYS A 14 10.077 10.059 -10.239 1.00 0.00 C ATOM 241 CD LYS A 14 10.302 8.810 -11.100 1.00 0.00 C ATOM 242 CE LYS A 14 8.982 8.347 -11.734 1.00 0.00 C ATOM 243 NZ LYS A 14 9.179 7.146 -12.588 1.00 0.00 N ATOM 0 H LYS A 14 10.275 10.522 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 14 12.281 12.257 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.056 10.840 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.893 9.785 -9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.402 9.822 -9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.594 10.834 -10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.031 9.026 -11.881 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.718 8.010 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.260 8.122 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.561 9.155 -12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.268 6.860 -13.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.850 7.369 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.557 6.368 -12.011 1.00 0.00 H new ATOM 257 N ARG A 15 9.232 13.117 -8.781 1.00 0.00 N ATOM 258 CA ARG A 15 8.273 14.205 -9.012 1.00 0.00 C ATOM 259 C ARG A 15 8.334 15.304 -7.925 1.00 0.00 C ATOM 260 O ARG A 15 7.482 16.191 -7.904 1.00 0.00 O ATOM 261 CB ARG A 15 6.860 13.601 -9.113 1.00 0.00 C ATOM 262 CG ARG A 15 6.697 12.610 -10.279 1.00 0.00 C ATOM 263 CD ARG A 15 5.225 12.229 -10.459 1.00 0.00 C ATOM 264 NE ARG A 15 5.000 11.541 -11.745 1.00 0.00 N ATOM 265 CZ ARG A 15 3.953 11.698 -12.549 1.00 0.00 C ATOM 266 NH1 ARG A 15 2.990 12.563 -12.323 1.00 0.00 N ATOM 267 NH2 ARG A 15 3.807 10.964 -13.627 1.00 0.00 N ATOM 0 H ARG A 15 8.881 12.447 -8.097 1.00 0.00 H new ATOM 0 HA ARG A 15 8.538 14.702 -9.946 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.624 13.092 -8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.136 14.408 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.078 13.055 -11.198 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.289 11.715 -10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.912 11.582 -9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.607 13.126 -10.411 1.00 0.00 H new ATOM 0 HE ARG A 15 5.717 10.881 -12.046 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.023 13.158 -11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.210 12.640 -12.976 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.504 10.257 -13.861 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.996 11.100 -14.231 1.00 0.00 H new ATOM 281 N LYS A 16 9.316 15.247 -7.011 1.00 0.00 N ATOM 282 CA LYS A 16 9.557 16.206 -5.910 1.00 0.00 C ATOM 283 C LYS A 16 8.441 16.217 -4.832 1.00 0.00 C ATOM 284 O LYS A 16 8.195 17.234 -4.176 1.00 0.00 O ATOM 285 CB LYS A 16 9.902 17.611 -6.463 1.00 0.00 C ATOM 286 CG LYS A 16 11.112 17.604 -7.413 1.00 0.00 C ATOM 287 CD LYS A 16 11.468 19.033 -7.854 1.00 0.00 C ATOM 288 CE LYS A 16 12.724 19.082 -8.738 1.00 0.00 C ATOM 289 NZ LYS A 16 12.509 18.478 -10.081 1.00 0.00 N ATOM 0 H LYS A 16 10.002 14.492 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 16 10.435 15.852 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.036 18.010 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.106 18.283 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.968 17.148 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.890 16.993 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.627 19.461 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.625 19.653 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.038 20.119 -8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.537 18.558 -8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.388 18.539 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.236 17.480 -9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.753 18.992 -10.576 1.00 0.00 H new ATOM 303 N MET A 17 7.763 15.079 -4.645 1.00 0.00 N ATOM 304 CA MET A 17 6.688 14.834 -3.668 1.00 0.00 C ATOM 305 C MET A 17 7.111 13.798 -2.611 1.00 0.00 C ATOM 306 O MET A 17 8.144 13.136 -2.752 1.00 0.00 O ATOM 307 CB MET A 17 5.433 14.339 -4.414 1.00 0.00 C ATOM 308 CG MET A 17 4.916 15.354 -5.437 1.00 0.00 C ATOM 309 SD MET A 17 3.304 14.954 -6.164 1.00 0.00 S ATOM 310 CE MET A 17 3.678 13.365 -6.950 1.00 0.00 C ATOM 0 H MET A 17 7.960 14.250 -5.206 1.00 0.00 H new ATOM 0 HA MET A 17 6.473 15.768 -3.149 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.663 13.402 -4.922 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.646 14.125 -3.691 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.849 16.330 -4.956 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.648 15.443 -6.240 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.784 12.984 -7.444 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.469 13.501 -7.687 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.006 12.653 -6.193 1.00 0.00 H new ATOM 320 N THR A 18 6.265 13.609 -1.589 1.00 0.00 N ATOM 321 CA THR A 18 6.403 12.593 -0.524 1.00 0.00 C ATOM 322 C THR A 18 5.015 12.013 -0.204 1.00 0.00 C ATOM 323 O THR A 18 4.090 12.809 -0.020 1.00 0.00 O ATOM 324 CB THR A 18 7.020 13.213 0.744 1.00 0.00 C ATOM 325 OG1 THR A 18 8.259 13.816 0.434 1.00 0.00 O ATOM 326 CG2 THR A 18 7.306 12.168 1.824 1.00 0.00 C ATOM 0 H THR A 18 5.429 14.182 -1.472 1.00 0.00 H new ATOM 0 HA THR A 18 7.066 11.800 -0.870 1.00 0.00 H new ATOM 0 HB THR A 18 6.292 13.935 1.113 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.644 14.209 1.245 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.740 12.656 2.697 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.376 11.675 2.109 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.006 11.427 1.437 1.00 0.00 H new ATOM 334 N PRO A 19 4.836 10.676 -0.129 1.00 0.00 N ATOM 335 CA PRO A 19 3.563 10.063 0.239 1.00 0.00 C ATOM 336 C PRO A 19 3.338 10.149 1.754 1.00 0.00 C ATOM 337 O PRO A 19 4.276 10.023 2.542 1.00 0.00 O ATOM 338 CB PRO A 19 3.656 8.614 -0.245 1.00 0.00 C ATOM 339 CG PRO A 19 5.145 8.300 -0.113 1.00 0.00 C ATOM 340 CD PRO A 19 5.826 9.640 -0.403 1.00 0.00 C ATOM 0 HA PRO A 19 2.713 10.572 -0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.047 7.946 0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.312 8.510 -1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.390 7.934 0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.456 7.531 -0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.708 9.771 0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.162 9.688 -1.439 1.00 0.00 H new ATOM 348 N ALA A 20 2.082 10.352 2.159 1.00 0.00 N ATOM 349 CA ALA A 20 1.667 10.492 3.555 1.00 0.00 C ATOM 350 C ALA A 20 0.723 9.350 3.960 1.00 0.00 C ATOM 351 O ALA A 20 -0.374 9.217 3.415 1.00 0.00 O ATOM 352 CB ALA A 20 1.011 11.867 3.731 1.00 0.00 C ATOM 0 H ALA A 20 1.303 10.426 1.504 1.00 0.00 H new ATOM 0 HA ALA A 20 2.534 10.426 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.695 11.989 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.728 12.647 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.143 11.943 3.076 1.00 0.00 H new ATOM 358 N TYR A 21 1.157 8.536 4.926 1.00 0.00 N ATOM 359 CA TYR A 21 0.445 7.347 5.415 1.00 0.00 C ATOM 360 C TYR A 21 -0.316 7.609 6.733 1.00 0.00 C ATOM 361 O TYR A 21 0.041 8.499 7.511 1.00 0.00 O ATOM 362 CB TYR A 21 1.444 6.191 5.615 1.00 0.00 C ATOM 363 CG TYR A 21 2.139 5.697 4.358 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.317 6.325 3.906 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.625 4.590 3.652 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.961 5.870 2.741 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.265 4.126 2.486 1.00 0.00 C ATOM 368 CZ TYR A 21 3.430 4.780 2.017 1.00 0.00 C ATOM 369 OH TYR A 21 4.035 4.379 0.866 1.00 0.00 O ATOM 0 H TYR A 21 2.043 8.690 5.407 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.297 7.082 4.661 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.205 6.512 6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.916 5.353 6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.727 7.159 4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.734 4.094 4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.863 6.355 2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.869 3.275 1.952 1.00 0.00 H new ATOM 0 HH TYR A 21 4.995 4.570 0.917 1.00 0.00 H new ATOM 379 N GLU A 22 -1.325 6.784 7.015 1.00 0.00 N ATOM 380 CA GLU A 22 -2.079 6.748 8.275 1.00 0.00 C ATOM 381 C GLU A 22 -2.513 5.302 8.571 1.00 0.00 C ATOM 382 O GLU A 22 -2.785 4.539 7.645 1.00 0.00 O ATOM 383 CB GLU A 22 -3.268 7.721 8.186 1.00 0.00 C ATOM 384 CG GLU A 22 -4.025 7.859 9.513 1.00 0.00 C ATOM 385 CD GLU A 22 -4.994 9.050 9.477 1.00 0.00 C ATOM 386 OE1 GLU A 22 -5.998 8.996 8.729 1.00 0.00 O ATOM 387 OE2 GLU A 22 -4.757 10.049 10.198 1.00 0.00 O ATOM 0 H GLU A 22 -1.656 6.091 6.344 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.456 7.074 9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.907 8.701 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.957 7.376 7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.578 6.942 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.314 7.990 10.329 1.00 0.00 H new ATOM 394 N ILE A 23 -2.539 4.901 9.848 1.00 0.00 N ATOM 395 CA ILE A 23 -2.710 3.501 10.297 1.00 0.00 C ATOM 396 C ILE A 23 -3.730 3.406 11.450 1.00 0.00 C ATOM 397 O ILE A 23 -3.814 4.308 12.288 1.00 0.00 O ATOM 398 CB ILE A 23 -1.325 2.902 10.684 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.394 2.846 9.446 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.438 1.502 11.324 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.015 2.305 9.716 1.00 0.00 C ATOM 0 H ILE A 23 -2.439 5.555 10.624 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.116 2.909 9.477 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.896 3.565 11.435 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.865 2.225 8.684 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.307 3.850 9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.443 1.134 11.573 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.039 1.564 12.231 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.912 0.818 10.621 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.589 2.305 8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.513 2.937 10.451 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.947 1.287 10.100 1.00 0.00 H new ATOM 413 N ARG A 24 -4.471 2.290 11.502 1.00 0.00 N ATOM 414 CA ARG A 24 -5.439 1.926 12.550 1.00 0.00 C ATOM 415 C ARG A 24 -5.289 0.443 12.915 1.00 0.00 C ATOM 416 O ARG A 24 -5.130 -0.393 12.028 1.00 0.00 O ATOM 417 CB ARG A 24 -6.860 2.205 12.029 1.00 0.00 C ATOM 418 CG ARG A 24 -7.957 1.967 13.078 1.00 0.00 C ATOM 419 CD ARG A 24 -9.349 2.233 12.497 1.00 0.00 C ATOM 420 NE ARG A 24 -10.400 1.904 13.476 1.00 0.00 N ATOM 421 CZ ARG A 24 -11.711 1.966 13.275 1.00 0.00 C ATOM 422 NH1 ARG A 24 -12.225 2.357 12.127 1.00 0.00 N ATOM 423 NH2 ARG A 24 -12.536 1.629 14.244 1.00 0.00 N ATOM 0 H ARG A 24 -4.409 1.577 10.775 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.254 2.519 13.446 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.916 3.238 11.685 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.052 1.570 11.164 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.901 0.940 13.439 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.789 2.616 13.937 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.432 3.280 12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.490 1.640 11.593 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.090 1.599 14.399 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.611 2.624 11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.237 2.393 12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.167 1.322 15.144 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.544 1.675 14.095 1.00 0.00 H new ATOM 561 N LYS A 33 -4.715 -7.096 13.870 1.00 0.00 N ATOM 562 CA LYS A 33 -4.645 -6.668 12.470 1.00 0.00 C ATOM 563 C LYS A 33 -4.542 -5.141 12.373 1.00 0.00 C ATOM 564 O LYS A 33 -4.951 -4.410 13.282 1.00 0.00 O ATOM 565 CB LYS A 33 -5.859 -7.195 11.684 1.00 0.00 C ATOM 566 CG LYS A 33 -5.717 -8.678 11.305 1.00 0.00 C ATOM 567 CD LYS A 33 -6.767 -9.122 10.272 1.00 0.00 C ATOM 568 CE LYS A 33 -6.540 -8.440 8.911 1.00 0.00 C ATOM 569 NZ LYS A 33 -7.530 -8.870 7.889 1.00 0.00 N ATOM 0 HA LYS A 33 -3.745 -7.091 12.024 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.761 -7.061 12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.986 -6.602 10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.719 -8.854 10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.812 -9.290 12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.724 -10.204 10.150 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.765 -8.882 10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.597 -7.359 9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.534 -8.667 8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.516 -8.204 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.288 -9.823 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.481 -8.884 8.311 1.00 0.00 H new ATOM 583 N PHE A 34 -4.025 -4.660 11.245 1.00 0.00 N ATOM 584 CA PHE A 34 -3.769 -3.249 10.983 1.00 0.00 C ATOM 585 C PHE A 34 -4.314 -2.868 9.609 1.00 0.00 C ATOM 586 O PHE A 34 -4.074 -3.563 8.623 1.00 0.00 O ATOM 587 CB PHE A 34 -2.263 -2.971 11.106 1.00 0.00 C ATOM 588 CG PHE A 34 -1.712 -3.263 12.490 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.750 -2.274 13.490 1.00 0.00 C ATOM 590 CD2 PHE A 34 -1.218 -4.545 12.795 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.283 -2.566 14.786 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.753 -4.837 14.088 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.782 -3.845 15.083 1.00 0.00 C ATOM 0 H PHE A 34 -3.765 -5.262 10.464 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.284 -2.631 11.719 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.728 -3.575 10.374 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.071 -1.927 10.859 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.137 -1.291 13.264 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.196 -5.308 12.031 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.310 -1.806 15.553 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.374 -5.822 14.317 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.419 -4.066 16.076 1.00 0.00 H new ATOM 603 N MET A 35 -5.045 -1.756 9.561 1.00 0.00 N ATOM 604 CA MET A 35 -5.510 -1.085 8.345 1.00 0.00 C ATOM 605 C MET A 35 -4.632 0.138 8.082 1.00 0.00 C ATOM 606 O MET A 35 -4.108 0.742 9.020 1.00 0.00 O ATOM 607 CB MET A 35 -6.978 -0.651 8.483 1.00 0.00 C ATOM 608 CG MET A 35 -7.897 -1.780 8.964 1.00 0.00 C ATOM 609 SD MET A 35 -9.669 -1.421 8.853 1.00 0.00 S ATOM 610 CE MET A 35 -9.904 -1.617 7.069 1.00 0.00 C ATOM 0 H MET A 35 -5.344 -1.274 10.409 1.00 0.00 H new ATOM 0 HA MET A 35 -5.440 -1.782 7.510 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.040 0.183 9.183 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.335 -0.286 7.520 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.685 -2.675 8.379 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.652 -2.011 10.001 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.415 -0.740 6.671 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.934 -1.723 6.584 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.505 -2.506 6.877 1.00 0.00 H new ATOM 620 N CYS A 36 -4.492 0.528 6.818 1.00 0.00 N ATOM 621 CA CYS A 36 -3.665 1.653 6.400 1.00 0.00 C ATOM 622 C CYS A 36 -4.291 2.413 5.223 1.00 0.00 C ATOM 623 O CYS A 36 -4.952 1.826 4.364 1.00 0.00 O ATOM 624 CB CYS A 36 -2.256 1.123 6.099 1.00 0.00 C ATOM 625 SG CYS A 36 -1.125 2.498 5.743 1.00 0.00 S ATOM 0 H CYS A 36 -4.960 0.061 6.041 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.597 2.389 7.201 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.886 0.551 6.950 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.291 0.443 5.248 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.504 3.553 6.402 1.00 0.00 H new ATOM 631 N GLU A 37 -4.057 3.720 5.199 1.00 0.00 N ATOM 632 CA GLU A 37 -4.448 4.660 4.154 1.00 0.00 C ATOM 633 C GLU A 37 -3.200 5.434 3.701 1.00 0.00 C ATOM 634 O GLU A 37 -2.340 5.738 4.529 1.00 0.00 O ATOM 635 CB GLU A 37 -5.488 5.657 4.694 1.00 0.00 C ATOM 636 CG GLU A 37 -6.764 5.009 5.259 1.00 0.00 C ATOM 637 CD GLU A 37 -7.774 6.040 5.793 1.00 0.00 C ATOM 638 OE1 GLU A 37 -7.723 7.228 5.391 1.00 0.00 O ATOM 639 OE2 GLU A 37 -8.638 5.658 6.618 1.00 0.00 O ATOM 0 H GLU A 37 -3.556 4.182 5.958 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.885 4.112 3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.024 6.257 5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.768 6.340 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.239 4.413 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.492 4.324 6.062 1.00 0.00 H new ATOM 646 N VAL A 38 -3.109 5.785 2.416 1.00 0.00 N ATOM 647 CA VAL A 38 -2.026 6.624 1.867 1.00 0.00 C ATOM 648 C VAL A 38 -2.554 7.639 0.851 1.00 0.00 C ATOM 649 O VAL A 38 -3.435 7.332 0.048 1.00 0.00 O ATOM 650 CB VAL A 38 -0.867 5.776 1.291 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.241 5.052 -0.009 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.393 6.622 1.033 1.00 0.00 C ATOM 0 H VAL A 38 -3.790 5.494 1.715 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.612 7.192 2.700 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.659 5.030 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.387 4.475 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.080 4.382 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.522 5.785 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.181 5.987 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.161 7.411 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.730 7.068 1.969 1.00 0.00 H new ATOM 662 N ARG A 39 -1.998 8.852 0.909 1.00 0.00 N ATOM 663 CA ARG A 39 -2.359 10.024 0.104 1.00 0.00 C ATOM 664 C ARG A 39 -1.102 10.759 -0.388 1.00 0.00 C ATOM 665 O ARG A 39 -0.019 10.610 0.180 1.00 0.00 O ATOM 666 CB ARG A 39 -3.244 10.957 0.958 1.00 0.00 C ATOM 667 CG ARG A 39 -4.695 10.456 1.046 1.00 0.00 C ATOM 668 CD ARG A 39 -5.524 11.219 2.089 1.00 0.00 C ATOM 669 NE ARG A 39 -5.304 10.687 3.450 1.00 0.00 N ATOM 670 CZ ARG A 39 -6.017 9.740 4.056 1.00 0.00 C ATOM 671 NH1 ARG A 39 -7.057 9.158 3.507 1.00 0.00 N ATOM 672 NH2 ARG A 39 -5.712 9.330 5.265 1.00 0.00 N ATOM 0 H ARG A 39 -1.238 9.055 1.558 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.913 9.704 -0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.826 11.034 1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.232 11.959 0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.169 10.554 0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.694 9.395 1.295 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.259 12.276 2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.582 11.149 1.836 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.528 11.085 3.978 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.355 9.426 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.567 8.437 4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.917 9.738 5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.270 8.603 5.713 1.00 0.00 H new ATOM 686 N VAL A 40 -1.254 11.567 -1.438 1.00 0.00 N ATOM 687 CA VAL A 40 -0.192 12.371 -2.076 1.00 0.00 C ATOM 688 C VAL A 40 -0.778 13.738 -2.450 1.00 0.00 C ATOM 689 O VAL A 40 -1.891 13.809 -2.974 1.00 0.00 O ATOM 690 CB VAL A 40 0.392 11.670 -3.332 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.554 12.476 -3.938 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.913 10.252 -3.032 1.00 0.00 C ATOM 0 H VAL A 40 -2.159 11.690 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 40 0.631 12.490 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.437 11.607 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.939 11.956 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.198 13.464 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.349 12.579 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.310 9.809 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.702 10.305 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.096 9.636 -2.656 1.00 0.00 H new ATOM 702 N GLU A 41 -0.049 14.816 -2.152 1.00 0.00 N ATOM 703 CA GLU A 41 -0.490 16.197 -2.387 1.00 0.00 C ATOM 704 C GLU A 41 -0.756 16.463 -3.882 1.00 0.00 C ATOM 705 O GLU A 41 0.078 16.166 -4.739 1.00 0.00 O ATOM 706 CB GLU A 41 0.557 17.170 -1.816 1.00 0.00 C ATOM 707 CG GLU A 41 0.084 18.629 -1.852 1.00 0.00 C ATOM 708 CD GLU A 41 1.101 19.558 -1.173 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.991 19.786 0.056 1.00 0.00 O ATOM 710 OE2 GLU A 41 2.012 20.075 -1.862 1.00 0.00 O ATOM 0 H GLU A 41 0.879 14.755 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.438 16.356 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.785 16.891 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.483 17.077 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.064 18.941 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.881 18.714 -1.352 1.00 0.00 H new ATOM 717 N GLY A 42 -1.933 17.023 -4.192 1.00 0.00 N ATOM 718 CA GLY A 42 -2.384 17.316 -5.562 1.00 0.00 C ATOM 719 C GLY A 42 -3.241 16.215 -6.204 1.00 0.00 C ATOM 720 O GLY A 42 -3.658 16.379 -7.351 1.00 0.00 O ATOM 0 H GLY A 42 -2.615 17.292 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.957 18.243 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.509 17.489 -6.189 1.00 0.00 H new ATOM 724 N PHE A 43 -3.534 15.128 -5.479 1.00 0.00 N ATOM 725 CA PHE A 43 -4.375 14.011 -5.927 1.00 0.00 C ATOM 726 C PHE A 43 -5.563 13.817 -4.973 1.00 0.00 C ATOM 727 O PHE A 43 -5.404 13.828 -3.750 1.00 0.00 O ATOM 728 CB PHE A 43 -3.524 12.736 -6.039 1.00 0.00 C ATOM 729 CG PHE A 43 -2.404 12.838 -7.061 1.00 0.00 C ATOM 730 CD1 PHE A 43 -1.155 13.367 -6.686 1.00 0.00 C ATOM 731 CD2 PHE A 43 -2.623 12.455 -8.398 1.00 0.00 C ATOM 732 CE1 PHE A 43 -0.143 13.535 -7.645 1.00 0.00 C ATOM 733 CE2 PHE A 43 -1.603 12.604 -9.354 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.364 13.153 -8.979 1.00 0.00 C ATOM 0 H PHE A 43 -3.180 14.998 -4.531 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.783 14.236 -6.912 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.094 12.510 -5.063 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.171 11.900 -6.304 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.974 13.644 -5.658 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.578 12.045 -8.690 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.808 13.959 -7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.771 12.297 -10.376 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.416 13.281 -9.715 1.00 0.00 H new ATOM 744 N ASN A 44 -6.763 13.647 -5.537 1.00 0.00 N ATOM 745 CA ASN A 44 -8.025 13.565 -4.786 1.00 0.00 C ATOM 746 C ASN A 44 -8.312 12.176 -4.172 1.00 0.00 C ATOM 747 O ASN A 44 -9.221 12.039 -3.350 1.00 0.00 O ATOM 748 CB ASN A 44 -9.181 14.010 -5.700 1.00 0.00 C ATOM 749 CG ASN A 44 -9.480 13.002 -6.812 1.00 0.00 C ATOM 750 OD1 ASN A 44 -8.673 12.775 -7.706 1.00 0.00 O ATOM 751 ND2 ASN A 44 -10.638 12.364 -6.786 1.00 0.00 N ATOM 0 H ASN A 44 -6.889 13.561 -6.545 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.930 14.235 -3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.078 14.157 -5.098 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.935 14.974 -6.146 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.861 11.682 -7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.308 12.554 -6.041 1.00 0.00 H new ATOM 758 N TYR A 45 -7.558 11.147 -4.569 1.00 0.00 N ATOM 759 CA TYR A 45 -7.737 9.757 -4.139 1.00 0.00 C ATOM 760 C TYR A 45 -6.910 9.397 -2.889 1.00 0.00 C ATOM 761 O TYR A 45 -5.901 10.038 -2.584 1.00 0.00 O ATOM 762 CB TYR A 45 -7.382 8.847 -5.321 1.00 0.00 C ATOM 763 CG TYR A 45 -7.749 7.389 -5.127 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.096 6.994 -5.237 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.760 6.434 -4.822 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.458 5.649 -5.046 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.114 5.084 -4.634 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.467 4.689 -4.746 1.00 0.00 C ATOM 769 OH TYR A 45 -8.811 3.382 -4.582 1.00 0.00 O ATOM 0 H TYR A 45 -6.781 11.262 -5.220 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.777 9.615 -3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.885 9.219 -6.213 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.310 8.917 -5.507 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.854 7.727 -5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.727 6.738 -4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.493 5.350 -5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.354 4.352 -4.405 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.173 2.949 -3.976 1.00 0.00 H new ATOM 779 N ALA A 46 -7.321 8.334 -2.191 1.00 0.00 N ATOM 780 CA ALA A 46 -6.569 7.704 -1.107 1.00 0.00 C ATOM 781 C ALA A 46 -6.551 6.179 -1.307 1.00 0.00 C ATOM 782 O ALA A 46 -7.607 5.544 -1.351 1.00 0.00 O ATOM 783 CB ALA A 46 -7.205 8.102 0.231 1.00 0.00 C ATOM 0 H ALA A 46 -8.214 7.876 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.533 8.044 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.653 7.638 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.173 9.186 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.241 7.765 0.256 1.00 0.00 H new ATOM 789 N GLY A 47 -5.351 5.598 -1.419 1.00 0.00 N ATOM 790 CA GLY A 47 -5.153 4.147 -1.513 1.00 0.00 C ATOM 791 C GLY A 47 -5.242 3.517 -0.132 1.00 0.00 C ATOM 792 O GLY A 47 -4.768 4.107 0.843 1.00 0.00 O ATOM 0 H GLY A 47 -4.480 6.128 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.906 3.711 -2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.181 3.933 -1.957 1.00 0.00 H new ATOM 796 N MET A 48 -5.855 2.336 -0.035 1.00 0.00 N ATOM 797 CA MET A 48 -6.207 1.701 1.242 1.00 0.00 C ATOM 798 C MET A 48 -5.938 0.192 1.235 1.00 0.00 C ATOM 799 O MET A 48 -6.146 -0.487 0.228 1.00 0.00 O ATOM 800 CB MET A 48 -7.681 1.980 1.579 1.00 0.00 C ATOM 801 CG MET A 48 -7.987 3.480 1.686 1.00 0.00 C ATOM 802 SD MET A 48 -9.615 3.892 2.368 1.00 0.00 S ATOM 803 CE MET A 48 -10.662 3.362 0.989 1.00 0.00 C ATOM 0 H MET A 48 -6.125 1.785 -0.849 1.00 0.00 H new ATOM 0 HA MET A 48 -5.569 2.136 2.011 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.316 1.537 0.811 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.933 1.493 2.521 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.222 3.946 2.307 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.905 3.922 0.693 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.707 3.560 1.229 1.00 0.00 H new ATOM 0 HE2 MET A 48 -10.386 3.913 0.090 1.00 0.00 H new ATOM 0 HE3 MET A 48 -10.525 2.294 0.817 1.00 0.00 H new ATOM 813 N GLY A 49 -5.470 -0.329 2.372 1.00 0.00 N ATOM 814 CA GLY A 49 -5.138 -1.745 2.574 1.00 0.00 C ATOM 815 C GLY A 49 -5.222 -2.191 4.031 1.00 0.00 C ATOM 816 O GLY A 49 -5.432 -1.380 4.931 1.00 0.00 O ATOM 0 H GLY A 49 -5.306 0.238 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.814 -2.357 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.129 -1.929 2.204 1.00 0.00 H new ATOM 820 N ASN A 50 -5.033 -3.490 4.265 1.00 0.00 N ATOM 821 CA ASN A 50 -4.935 -4.083 5.606 1.00 0.00 C ATOM 822 C ASN A 50 -4.076 -5.361 5.618 1.00 0.00 C ATOM 823 O ASN A 50 -3.857 -5.971 4.571 1.00 0.00 O ATOM 824 CB ASN A 50 -6.340 -4.322 6.196 1.00 0.00 C ATOM 825 CG ASN A 50 -7.060 -5.519 5.578 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.957 -6.642 6.059 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.807 -5.319 4.508 1.00 0.00 N ATOM 0 H ASN A 50 -4.942 -4.176 3.515 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.419 -3.369 6.248 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.253 -4.475 7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.945 -3.427 6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.302 -6.101 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.890 -4.383 4.111 1.00 0.00 H new ATOM 834 N SER A 51 -3.601 -5.775 6.795 1.00 0.00 N ATOM 835 CA SER A 51 -2.840 -7.017 7.011 1.00 0.00 C ATOM 836 C SER A 51 -2.713 -7.369 8.511 1.00 0.00 C ATOM 837 O SER A 51 -3.343 -6.735 9.363 1.00 0.00 O ATOM 838 CB SER A 51 -1.453 -6.915 6.345 1.00 0.00 C ATOM 839 OG SER A 51 -0.888 -8.208 6.181 1.00 0.00 O ATOM 0 H SER A 51 -3.737 -5.241 7.654 1.00 0.00 H new ATOM 0 HA SER A 51 -3.395 -7.831 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.543 -6.424 5.376 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.794 -6.297 6.955 1.00 0.00 H new ATOM 0 HG SER A 51 -0.040 -8.259 6.670 1.00 0.00 H new ATOM 845 N THR A 52 -1.888 -8.373 8.845 1.00 0.00 N ATOM 846 CA THR A 52 -1.553 -8.818 10.212 1.00 0.00 C ATOM 847 C THR A 52 -0.471 -7.971 10.884 1.00 0.00 C ATOM 848 O THR A 52 -0.197 -8.160 12.068 1.00 0.00 O ATOM 849 CB THR A 52 -1.104 -10.286 10.188 1.00 0.00 C ATOM 850 OG1 THR A 52 -0.025 -10.418 9.283 1.00 0.00 O ATOM 851 CG2 THR A 52 -2.240 -11.215 9.754 1.00 0.00 C ATOM 0 H THR A 52 -1.410 -8.927 8.134 1.00 0.00 H new ATOM 0 HA THR A 52 -2.461 -8.699 10.803 1.00 0.00 H new ATOM 0 HB THR A 52 -0.802 -10.570 11.196 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.271 -11.352 9.261 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.885 -12.246 9.749 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.073 -11.121 10.451 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.572 -10.941 8.753 1.00 0.00 H new ATOM 859 N ASN A 53 0.136 -7.044 10.141 1.00 0.00 N ATOM 860 CA ASN A 53 1.214 -6.157 10.583 1.00 0.00 C ATOM 861 C ASN A 53 1.213 -4.827 9.802 1.00 0.00 C ATOM 862 O ASN A 53 0.680 -4.733 8.692 1.00 0.00 O ATOM 863 CB ASN A 53 2.561 -6.891 10.472 1.00 0.00 C ATOM 864 CG ASN A 53 2.998 -7.080 9.024 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.589 -6.189 8.425 1.00 0.00 O ATOM 866 ND2 ASN A 53 2.710 -8.216 8.421 1.00 0.00 N ATOM 0 H ASN A 53 -0.123 -6.883 9.168 1.00 0.00 H new ATOM 0 HA ASN A 53 1.049 -5.895 11.628 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.324 -6.328 11.009 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.483 -7.865 10.956 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.979 -8.359 7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.218 -8.952 8.928 1.00 0.00 H new ATOM 873 N LYS A 54 1.838 -3.793 10.371 1.00 0.00 N ATOM 874 CA LYS A 54 1.832 -2.427 9.821 1.00 0.00 C ATOM 875 C LYS A 54 2.583 -2.272 8.485 1.00 0.00 C ATOM 876 O LYS A 54 2.219 -1.415 7.678 1.00 0.00 O ATOM 877 CB LYS A 54 2.413 -1.470 10.878 1.00 0.00 C ATOM 878 CG LYS A 54 1.508 -1.338 12.114 1.00 0.00 C ATOM 879 CD LYS A 54 2.069 -0.295 13.088 1.00 0.00 C ATOM 880 CE LYS A 54 1.168 -0.186 14.325 1.00 0.00 C ATOM 881 NZ LYS A 54 1.694 0.801 15.305 1.00 0.00 N ATOM 0 H LYS A 54 2.370 -3.878 11.237 1.00 0.00 H new ATOM 0 HA LYS A 54 0.795 -2.182 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.395 -1.828 11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.559 -0.486 10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.503 -1.051 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.425 -2.303 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.079 -0.574 13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.139 0.674 12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.163 0.106 14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.085 -1.163 14.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.058 0.847 16.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.642 0.509 15.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.750 1.738 14.858 1.00 0.00 H new ATOM 895 N LYS A 55 3.615 -3.078 8.219 1.00 0.00 N ATOM 896 CA LYS A 55 4.406 -2.993 6.976 1.00 0.00 C ATOM 897 C LYS A 55 3.645 -3.546 5.762 1.00 0.00 C ATOM 898 O LYS A 55 3.570 -2.882 4.728 1.00 0.00 O ATOM 899 CB LYS A 55 5.757 -3.705 7.150 1.00 0.00 C ATOM 900 CG LYS A 55 6.661 -3.013 8.186 1.00 0.00 C ATOM 901 CD LYS A 55 8.102 -3.551 8.170 1.00 0.00 C ATOM 902 CE LYS A 55 8.231 -5.062 8.436 1.00 0.00 C ATOM 903 NZ LYS A 55 7.841 -5.438 9.822 1.00 0.00 N ATOM 0 H LYS A 55 3.930 -3.810 8.856 1.00 0.00 H new ATOM 0 HA LYS A 55 4.589 -1.937 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.583 -4.737 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.272 -3.740 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.676 -1.941 7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.237 -3.150 9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.547 -3.328 7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.684 -3.014 8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.606 -5.606 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.261 -5.371 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.947 -6.465 9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.453 -4.942 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.850 -5.170 9.989 1.00 0.00 H new ATOM 917 N ASP A 56 3.006 -4.710 5.895 1.00 0.00 N ATOM 918 CA ASP A 56 2.156 -5.276 4.839 1.00 0.00 C ATOM 919 C ASP A 56 0.862 -4.471 4.636 1.00 0.00 C ATOM 920 O ASP A 56 0.372 -4.373 3.513 1.00 0.00 O ATOM 921 CB ASP A 56 1.834 -6.742 5.147 1.00 0.00 C ATOM 922 CG ASP A 56 2.983 -7.693 4.776 1.00 0.00 C ATOM 923 OD1 ASP A 56 3.262 -7.853 3.564 1.00 0.00 O ATOM 924 OD2 ASP A 56 3.587 -8.296 5.694 1.00 0.00 O ATOM 0 H ASP A 56 3.061 -5.287 6.734 1.00 0.00 H new ATOM 0 HA ASP A 56 2.716 -5.219 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.611 -6.845 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.936 -7.034 4.603 1.00 0.00 H new ATOM 929 N ALA A 57 0.344 -3.826 5.688 1.00 0.00 N ATOM 930 CA ALA A 57 -0.800 -2.919 5.572 1.00 0.00 C ATOM 931 C ALA A 57 -0.448 -1.656 4.764 1.00 0.00 C ATOM 932 O ALA A 57 -1.186 -1.296 3.844 1.00 0.00 O ATOM 933 CB ALA A 57 -1.316 -2.603 6.981 1.00 0.00 C ATOM 0 H ALA A 57 0.705 -3.918 6.638 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.599 -3.402 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.169 -1.928 6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.622 -3.527 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.524 -2.130 7.561 1.00 0.00 H new ATOM 939 N GLN A 58 0.706 -1.032 5.041 1.00 0.00 N ATOM 940 CA GLN A 58 1.250 0.069 4.232 1.00 0.00 C ATOM 941 C GLN A 58 1.556 -0.370 2.798 1.00 0.00 C ATOM 942 O GLN A 58 1.294 0.383 1.867 1.00 0.00 O ATOM 943 CB GLN A 58 2.536 0.616 4.869 1.00 0.00 C ATOM 944 CG GLN A 58 2.269 1.524 6.077 1.00 0.00 C ATOM 945 CD GLN A 58 3.562 1.837 6.828 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.228 2.839 6.605 1.00 0.00 O ATOM 947 NE2 GLN A 58 3.968 0.977 7.739 1.00 0.00 N ATOM 0 H GLN A 58 1.292 -1.279 5.838 1.00 0.00 H new ATOM 0 HA GLN A 58 0.486 0.846 4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.164 -0.219 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.097 1.174 4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.806 2.452 5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.562 1.039 6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.418 0.139 7.931 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.832 1.149 8.253 1.00 0.00 H new ATOM 956 N SER A 59 2.063 -1.587 2.597 1.00 0.00 N ATOM 957 CA SER A 59 2.320 -2.133 1.256 1.00 0.00 C ATOM 958 C SER A 59 1.031 -2.290 0.440 1.00 0.00 C ATOM 959 O SER A 59 1.009 -1.994 -0.754 1.00 0.00 O ATOM 960 CB SER A 59 3.012 -3.499 1.352 1.00 0.00 C ATOM 961 OG SER A 59 4.255 -3.407 2.024 1.00 0.00 O ATOM 0 H SER A 59 2.308 -2.224 3.355 1.00 0.00 H new ATOM 0 HA SER A 59 2.968 -1.419 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.364 -4.200 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.168 -3.900 0.350 1.00 0.00 H new ATOM 0 HG SER A 59 4.100 -3.223 2.974 1.00 0.00 H new ATOM 967 N ASN A 60 -0.066 -2.697 1.085 1.00 0.00 N ATOM 968 CA ASN A 60 -1.368 -2.856 0.436 1.00 0.00 C ATOM 969 C ASN A 60 -2.044 -1.496 0.173 1.00 0.00 C ATOM 970 O ASN A 60 -2.642 -1.308 -0.889 1.00 0.00 O ATOM 971 CB ASN A 60 -2.240 -3.816 1.269 1.00 0.00 C ATOM 972 CG ASN A 60 -1.769 -5.274 1.200 1.00 0.00 C ATOM 973 OD1 ASN A 60 -1.067 -5.693 0.287 1.00 0.00 O ATOM 974 ND2 ASN A 60 -2.163 -6.109 2.146 1.00 0.00 N ATOM 0 H ASN A 60 -0.074 -2.927 2.079 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.229 -3.302 -0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.237 -3.489 2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.270 -3.757 0.919 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.882 -7.089 2.110 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.747 -5.773 2.912 1.00 0.00 H new ATOM 981 N ALA A 61 -1.880 -0.515 1.071 1.00 0.00 N ATOM 982 CA ALA A 61 -2.300 0.871 0.839 1.00 0.00 C ATOM 983 C ALA A 61 -1.526 1.515 -0.323 1.00 0.00 C ATOM 984 O ALA A 61 -2.135 2.105 -1.217 1.00 0.00 O ATOM 985 CB ALA A 61 -2.133 1.659 2.143 1.00 0.00 C ATOM 0 H ALA A 61 -1.450 -0.663 1.984 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.349 0.885 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.442 2.692 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.751 1.210 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.088 1.635 2.451 1.00 0.00 H new ATOM 991 N ALA A 62 -0.199 1.339 -0.355 1.00 0.00 N ATOM 992 CA ALA A 62 0.666 1.804 -1.438 1.00 0.00 C ATOM 993 C ALA A 62 0.282 1.164 -2.775 1.00 0.00 C ATOM 994 O ALA A 62 0.084 1.883 -3.756 1.00 0.00 O ATOM 995 CB ALA A 62 2.126 1.523 -1.064 1.00 0.00 C ATOM 0 H ALA A 62 0.310 0.859 0.388 1.00 0.00 H new ATOM 0 HA ALA A 62 0.538 2.879 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.780 1.866 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.374 2.051 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.264 0.452 -0.917 1.00 0.00 H new ATOM 1001 N ARG A 63 0.089 -0.163 -2.807 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.338 -0.879 -4.010 1.00 0.00 C ATOM 1003 C ARG A 63 -1.658 -0.337 -4.566 1.00 0.00 C ATOM 1004 O ARG A 63 -1.780 -0.208 -5.778 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.428 -2.393 -3.730 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.780 -3.230 -4.975 1.00 0.00 C ATOM 1007 CD ARG A 63 0.270 -3.171 -6.100 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.369 -3.219 -7.426 1.00 0.00 N ATOM 1009 CZ ARG A 63 -0.094 -4.020 -8.447 1.00 0.00 C ATOM 1010 NH1 ARG A 63 0.842 -4.944 -8.400 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.787 -3.878 -9.553 1.00 0.00 N ATOM 0 H ARG A 63 0.226 -0.767 -1.997 1.00 0.00 H new ATOM 0 HA ARG A 63 0.417 -0.713 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.525 -2.737 -3.329 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.180 -2.568 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.913 -4.269 -4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.737 -2.887 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.855 -2.256 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.964 -4.005 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.122 -2.548 -7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.394 -5.068 -7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.016 -5.536 -9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.515 -3.166 -9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.597 -4.480 -10.354 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.615 0.043 -3.719 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.904 0.588 -4.160 1.00 0.00 C ATOM 1027 C ASP A 64 -3.823 2.053 -4.641 1.00 0.00 C ATOM 1028 O ASP A 64 -4.571 2.443 -5.539 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.931 0.402 -3.039 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.360 0.779 -3.460 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.786 0.410 -4.585 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -7.046 1.421 -2.631 1.00 0.00 O ATOM 0 H ASP A 64 -2.520 -0.018 -2.705 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.222 0.031 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.918 -0.638 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.639 1.010 -2.183 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.871 2.852 -4.131 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.590 4.181 -4.691 1.00 0.00 C ATOM 1039 C PHE A 65 -1.777 4.089 -5.992 1.00 0.00 C ATOM 1040 O PHE A 65 -2.059 4.813 -6.942 1.00 0.00 O ATOM 1041 CB PHE A 65 -1.904 5.086 -3.659 1.00 0.00 C ATOM 1042 CG PHE A 65 -1.886 6.546 -4.086 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -0.845 7.035 -4.898 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -2.942 7.405 -3.724 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -0.861 8.369 -5.344 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -2.960 8.738 -4.174 1.00 0.00 C ATOM 1047 CZ PHE A 65 -1.922 9.219 -4.988 1.00 0.00 C ATOM 0 H PHE A 65 -2.286 2.600 -3.334 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.547 4.638 -4.944 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.419 4.997 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.881 4.744 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.031 6.383 -5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.742 7.039 -3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.056 8.741 -5.961 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.773 9.392 -3.893 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.939 10.240 -5.340 1.00 0.00 H new ATOM 1057 N VAL A 66 -0.824 3.159 -6.083 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.106 2.854 -7.337 1.00 0.00 C ATOM 1059 C VAL A 66 -1.081 2.344 -8.402 1.00 0.00 C ATOM 1060 O VAL A 66 -1.031 2.791 -9.545 1.00 0.00 O ATOM 1061 CB VAL A 66 1.036 1.843 -7.105 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.666 1.351 -8.417 1.00 0.00 C ATOM 1063 CG2 VAL A 66 2.131 2.495 -6.253 1.00 0.00 C ATOM 0 H VAL A 66 -0.523 2.591 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 66 0.346 3.778 -7.696 1.00 0.00 H new ATOM 0 HB VAL A 66 0.601 0.982 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.464 0.642 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.905 0.862 -9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.077 2.200 -8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.938 1.781 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.521 3.371 -6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.713 2.797 -5.293 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.030 1.489 -8.010 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.149 1.093 -8.870 1.00 0.00 C ATOM 1075 C ASN A 67 -3.929 2.325 -9.348 1.00 0.00 C ATOM 1076 O ASN A 67 -4.061 2.502 -10.554 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.084 0.082 -8.181 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.506 -1.322 -8.027 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.537 -1.713 -8.670 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -4.108 -2.140 -7.184 1.00 0.00 N ATOM 0 H ASN A 67 -2.044 1.052 -7.088 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.725 0.592 -9.740 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.344 0.463 -7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.010 0.018 -8.752 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.767 -3.094 -7.068 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.914 -1.818 -6.648 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.332 3.255 -8.471 1.00 0.00 N ATOM 1088 CA TYR A 68 -4.937 4.538 -8.875 1.00 0.00 C ATOM 1089 C TYR A 68 -4.098 5.322 -9.898 1.00 0.00 C ATOM 1090 O TYR A 68 -4.643 5.782 -10.900 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.269 5.382 -7.639 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.446 6.868 -7.895 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -6.634 7.353 -8.478 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.415 7.767 -7.554 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -6.804 8.733 -8.695 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.579 9.147 -7.771 1.00 0.00 C ATOM 1097 CZ TYR A 68 -5.782 9.638 -8.325 1.00 0.00 C ATOM 1098 OH TYR A 68 -5.966 10.980 -8.470 1.00 0.00 O ATOM 0 H TYR A 68 -4.249 3.142 -7.461 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.864 4.299 -9.396 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.185 4.996 -7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.475 5.249 -6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.416 6.663 -8.759 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.496 7.395 -7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.715 9.101 -9.144 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.784 9.832 -7.514 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.890 11.417 -7.596 1.00 0.00 H new ATOM 1108 N LEU A 69 -2.772 5.379 -9.737 1.00 0.00 N ATOM 1109 CA LEU A 69 -1.875 5.999 -10.722 1.00 0.00 C ATOM 1110 C LEU A 69 -1.863 5.281 -12.087 1.00 0.00 C ATOM 1111 O LEU A 69 -1.565 5.919 -13.094 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.463 6.141 -10.136 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.339 7.056 -8.899 1.00 0.00 C ATOM 1114 CD1 LEU A 69 1.076 6.900 -8.328 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.635 8.524 -9.239 1.00 0.00 C ATOM 0 H LEU A 69 -2.290 4.998 -8.923 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.271 6.993 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.099 5.149 -9.869 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.197 6.523 -10.915 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.080 6.758 -8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.187 7.538 -7.452 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.241 5.861 -8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.807 7.190 -9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.536 9.133 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.071 8.872 -9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.650 8.610 -9.626 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.244 4.002 -12.159 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.506 3.277 -13.423 1.00 0.00 C ATOM 1129 C VAL A 70 -3.938 3.548 -13.927 1.00 0.00 C ATOM 1130 O VAL A 70 -4.129 3.733 -15.128 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.253 1.751 -13.300 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.454 1.017 -14.638 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.835 1.432 -12.803 1.00 0.00 C ATOM 0 H VAL A 70 -2.384 3.424 -11.330 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.795 3.661 -14.155 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.986 1.403 -12.572 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.266 -0.048 -14.501 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.478 1.163 -14.983 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.761 1.415 -15.379 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.708 0.352 -12.734 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.104 1.839 -13.502 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.685 1.878 -11.820 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.928 3.668 -13.026 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.318 4.051 -13.353 1.00 0.00 C ATOM 1145 C ARG A 71 -6.404 5.450 -13.997 1.00 0.00 C ATOM 1146 O ARG A 71 -7.274 5.681 -14.836 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.243 3.994 -12.113 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.363 2.614 -11.436 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.154 2.692 -10.115 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.940 1.494 -9.273 1.00 0.00 N ATOM 1151 CZ ARG A 71 -7.644 1.431 -7.978 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -7.447 2.489 -7.226 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.541 0.262 -7.391 1.00 0.00 N ATOM 0 H ARG A 71 -4.785 3.499 -12.030 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.663 3.316 -14.080 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.878 4.710 -11.376 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.239 4.321 -12.410 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.856 1.918 -12.114 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.367 2.217 -11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.852 3.582 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.217 2.797 -10.334 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.032 0.597 -9.749 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.519 3.423 -7.630 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.222 2.377 -6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.688 -0.593 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.314 0.208 -6.398 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.479 6.364 -13.658 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.335 7.703 -14.281 1.00 0.00 C ATOM 1169 C ILE A 72 -4.156 7.811 -15.270 1.00 0.00 C ATOM 1170 O ILE A 72 -3.876 8.897 -15.775 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.317 8.832 -13.216 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.035 8.849 -12.351 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.578 8.752 -12.335 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -3.806 10.182 -11.629 1.00 0.00 C ATOM 0 H ILE A 72 -4.790 6.194 -12.925 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.227 7.841 -14.892 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.315 9.775 -13.762 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.093 8.049 -11.612 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.175 8.635 -12.985 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.554 9.549 -11.592 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.465 8.864 -12.958 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.609 7.786 -11.830 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.890 10.125 -11.041 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.716 10.983 -12.363 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.649 10.388 -10.969 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.454 6.703 -15.542 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.401 6.560 -16.565 1.00 0.00 C ATOM 1188 C ASN A 73 -1.110 7.378 -16.294 1.00 0.00 C ATOM 1189 O ASN A 73 -0.298 7.586 -17.198 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.979 6.795 -17.977 1.00 0.00 C ATOM 1191 CG ASN A 73 -4.181 5.899 -18.274 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -5.331 6.308 -18.164 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -3.952 4.655 -18.656 1.00 0.00 N ATOM 0 H ASN A 73 -3.611 5.835 -15.030 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.059 5.527 -16.503 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.275 7.839 -18.076 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.202 6.613 -18.719 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.734 4.032 -18.860 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.994 4.318 -18.747 1.00 0.00 H new ATOM 1200 N GLU A 74 -0.886 7.803 -15.045 1.00 0.00 N ATOM 1201 CA GLU A 74 0.355 8.439 -14.571 1.00 0.00 C ATOM 1202 C GLU A 74 1.472 7.424 -14.239 1.00 0.00 C ATOM 1203 O GLU A 74 2.631 7.814 -14.092 1.00 0.00 O ATOM 1204 CB GLU A 74 0.050 9.321 -13.346 1.00 0.00 C ATOM 1205 CG GLU A 74 -0.739 10.592 -13.693 1.00 0.00 C ATOM 1206 CD GLU A 74 0.029 11.522 -14.648 1.00 0.00 C ATOM 1207 OE1 GLU A 74 1.200 11.859 -14.353 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.536 11.928 -15.691 1.00 0.00 O ATOM 0 H GLU A 74 -1.586 7.712 -14.309 1.00 0.00 H new ATOM 0 HA GLU A 74 0.733 9.052 -15.389 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.516 8.738 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.988 9.603 -12.868 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.689 10.313 -14.149 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.973 11.132 -12.776 1.00 0.00 H new ATOM 1215 N VAL A 75 1.143 6.128 -14.165 1.00 0.00 N ATOM 1216 CA VAL A 75 2.080 4.992 -14.057 1.00 0.00 C ATOM 1217 C VAL A 75 1.650 3.897 -15.040 1.00 0.00 C ATOM 1218 O VAL A 75 0.457 3.663 -15.229 1.00 0.00 O ATOM 1219 CB VAL A 75 2.139 4.441 -12.608 1.00 0.00 C ATOM 1220 CG1 VAL A 75 3.078 3.233 -12.458 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.698 5.483 -11.636 1.00 0.00 C ATOM 0 H VAL A 75 0.170 5.824 -14.179 1.00 0.00 H new ATOM 0 HA VAL A 75 3.084 5.335 -14.308 1.00 0.00 H new ATOM 0 HB VAL A 75 1.108 4.166 -12.387 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.074 2.896 -11.422 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.736 2.424 -13.104 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.090 3.521 -12.742 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.726 5.064 -10.630 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.707 5.761 -11.941 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.060 6.367 -11.644 1.00 0.00 H new ATOM 1231 N LYS A 76 2.621 3.222 -15.662 1.00 0.00 N ATOM 1232 CA LYS A 76 2.403 2.026 -16.491 1.00 0.00 C ATOM 1233 C LYS A 76 2.575 0.760 -15.636 1.00 0.00 C ATOM 1234 O LYS A 76 3.579 0.618 -14.933 1.00 0.00 O ATOM 1235 CB LYS A 76 3.388 2.031 -17.674 1.00 0.00 C ATOM 1236 CG LYS A 76 3.250 3.271 -18.573 1.00 0.00 C ATOM 1237 CD LYS A 76 4.182 3.172 -19.787 1.00 0.00 C ATOM 1238 CE LYS A 76 4.029 4.417 -20.670 1.00 0.00 C ATOM 1239 NZ LYS A 76 4.913 4.361 -21.864 1.00 0.00 N ATOM 0 H LYS A 76 3.602 3.495 -15.604 1.00 0.00 H new ATOM 0 HA LYS A 76 1.388 2.034 -16.887 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.407 1.980 -17.290 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.229 1.135 -18.275 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.218 3.369 -18.909 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.485 4.168 -18.001 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.216 3.077 -19.455 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.948 2.277 -20.363 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.991 4.510 -20.990 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.263 5.307 -20.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.780 5.220 -22.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.905 4.298 -21.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.673 3.525 -22.435 1.00 0.00 H new ATOM 1253 N SER A 77 1.620 -0.170 -15.662 1.00 0.00 N ATOM 1254 CA SER A 77 1.617 -1.336 -14.762 1.00 0.00 C ATOM 1255 C SER A 77 2.856 -2.236 -14.911 1.00 0.00 C ATOM 1256 O SER A 77 3.311 -2.811 -13.919 1.00 0.00 O ATOM 1257 CB SER A 77 0.323 -2.148 -14.923 1.00 0.00 C ATOM 1258 OG SER A 77 0.080 -2.503 -16.276 1.00 0.00 O ATOM 0 H SER A 77 0.827 -0.142 -16.303 1.00 0.00 H new ATOM 0 HA SER A 77 1.661 -0.935 -13.749 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.385 -3.052 -14.317 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.518 -1.567 -14.544 1.00 0.00 H new ATOM 0 HG SER A 77 -0.751 -3.020 -16.335 1.00 0.00 H new ATOM 1264 N GLU A 78 3.491 -2.270 -16.090 1.00 0.00 N ATOM 1265 CA GLU A 78 4.711 -3.047 -16.352 1.00 0.00 C ATOM 1266 C GLU A 78 5.907 -2.623 -15.473 1.00 0.00 C ATOM 1267 O GLU A 78 6.842 -3.403 -15.288 1.00 0.00 O ATOM 1268 CB GLU A 78 5.125 -2.959 -17.833 1.00 0.00 C ATOM 1269 CG GLU A 78 4.010 -3.245 -18.851 1.00 0.00 C ATOM 1270 CD GLU A 78 3.355 -1.945 -19.343 1.00 0.00 C ATOM 1271 OE1 GLU A 78 2.570 -1.346 -18.576 1.00 0.00 O ATOM 1272 OE2 GLU A 78 3.647 -1.515 -20.483 1.00 0.00 O ATOM 0 H GLU A 78 3.166 -1.749 -16.904 1.00 0.00 H new ATOM 0 HA GLU A 78 4.456 -4.075 -16.096 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.519 -1.961 -18.023 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.940 -3.662 -18.006 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.421 -3.791 -19.700 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.255 -3.885 -18.396 1.00 0.00 H new ATOM 1279 N GLU A 79 5.873 -1.412 -14.901 1.00 0.00 N ATOM 1280 CA GLU A 79 6.901 -0.898 -13.987 1.00 0.00 C ATOM 1281 C GLU A 79 6.668 -1.309 -12.520 1.00 0.00 C ATOM 1282 O GLU A 79 7.589 -1.231 -11.706 1.00 0.00 O ATOM 1283 CB GLU A 79 6.926 0.638 -14.057 1.00 0.00 C ATOM 1284 CG GLU A 79 7.276 1.215 -15.437 1.00 0.00 C ATOM 1285 CD GLU A 79 8.683 0.808 -15.904 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.682 1.293 -15.321 1.00 0.00 O ATOM 1287 OE2 GLU A 79 8.802 0.023 -16.873 1.00 0.00 O ATOM 0 H GLU A 79 5.115 -0.749 -15.064 1.00 0.00 H new ATOM 0 HA GLU A 79 7.848 -1.331 -14.309 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.949 1.017 -13.758 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.648 1.009 -13.330 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.541 0.874 -16.167 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.209 2.302 -15.401 1.00 0.00 H new ATOM 1294 N VAL A 80 5.453 -1.741 -12.171 1.00 0.00 N ATOM 1295 CA VAL A 80 5.013 -1.951 -10.780 1.00 0.00 C ATOM 1296 C VAL A 80 5.543 -3.296 -10.246 1.00 0.00 C ATOM 1297 O VAL A 80 5.319 -4.320 -10.898 1.00 0.00 O ATOM 1298 CB VAL A 80 3.471 -1.876 -10.662 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.998 -2.068 -9.212 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.946 -0.518 -11.166 1.00 0.00 C ATOM 0 H VAL A 80 4.731 -1.960 -12.857 1.00 0.00 H new ATOM 0 HA VAL A 80 5.428 -1.150 -10.168 1.00 0.00 H new ATOM 0 HB VAL A 80 3.075 -2.683 -11.278 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.910 -2.008 -9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.321 -3.044 -8.850 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.427 -1.288 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.860 -0.490 -11.073 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.382 0.284 -10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.224 -0.386 -12.212 1.00 0.00 H new ATOM 1310 N PRO A 81 6.227 -3.328 -9.080 1.00 0.00 N ATOM 1311 CA PRO A 81 6.792 -4.552 -8.520 1.00 0.00 C ATOM 1312 C PRO A 81 5.692 -5.481 -7.990 1.00 0.00 C ATOM 1313 O PRO A 81 4.772 -5.051 -7.292 1.00 0.00 O ATOM 1314 CB PRO A 81 7.751 -4.100 -7.415 1.00 0.00 C ATOM 1315 CG PRO A 81 7.160 -2.771 -6.955 1.00 0.00 C ATOM 1316 CD PRO A 81 6.589 -2.187 -8.246 1.00 0.00 C ATOM 0 HA PRO A 81 7.320 -5.135 -9.275 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.795 -4.823 -6.601 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.767 -3.979 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.388 -2.912 -6.199 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.918 -2.121 -6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.719 -1.563 -8.040 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.323 -1.556 -8.746 1.00 0.00 H new