USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 863 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 96 SER OG : rot -70:sc= 0.498 USER MOD Set 1.2: A 105 LYS NZ :NH3+ 158:sc= 0.785 (180deg=0.0548) USER MOD Set 2.1: A 97 CYS SG : rot -169:sc= -1.51 USER MOD Set 2.2: A 102 CYS SG : rot -128:sc= -2.45 USER MOD Set 2.3: A 104 LYS NZ :NH3+ -164:sc= 0.0727 (180deg=-0.0797) USER MOD Set 2.4: A 115 HIS : no HD1:sc= -1.24 K(o=-6.1,f=-8.6) USER MOD Set 2.5: A 116 HIS : no HD1:sc= -0.41 X(o=-6.1,f=-6) USER MOD Set 2.6: A 119 HIS : no HE2:sc= -0.519 K(o=-6.1,f=-8.1) USER MOD Set 3.1: A 68 GLN : amide:sc= 0.907 K(o=3.1,f=-3.1) USER MOD Set 3.2: A 73 GLN : amide:sc= 2.2 K(o=3.1,f=-0.15) USER MOD Set 4.1: A 69 CYS SG : rot 100:sc= 1.93 USER MOD Set 4.2: A 70 LYS NZ :NH3+ -125:sc= 0.0514 (180deg=-0.0904) USER MOD Set 4.3: A 71 THR OG1 : rot 75:sc= 1.14 USER MOD Set 4.4: A 72 CYS SG : rot -42:sc= 1.59! USER MOD Set 4.5: A 85 HIS : no HD1:sc= -0.509 K(o=4,f=2.4) USER MOD Set 4.6: A 89 HIS : no HD1:sc= -0.238 K(o=4,f=1.1) USER MOD Set 5.1: A 39 CYS SG : rot 179:sc= -0.144 USER MOD Set 5.2: A 57 HIS : no HD1:sc= -2.95 K(o=-3,f=-2.5) USER MOD Set 5.3: A 61 HIS : no HE2:sc= 0.0459 X(o=-3,f=-3.3) USER MOD Set 6.1: A 51 SER OG : rot 180:sc= 0.282 USER MOD Set 6.2: A 55 LYS NZ :NH3+ 167:sc= 0.309 (180deg=0) USER MOD Set 7.1: A 9 CYS SG : rot -163:sc= 0.259 USER MOD Set 7.2: A 14 CYS SG : rot 124:sc= -2.02 USER MOD Set 7.3: A 18 TYR OH : rot 180:sc= -0.127 USER MOD Set 7.4: A 27 HIS : no HD1:sc= -2.12 K(o=-5.6,f=-8.7) USER MOD Set 7.5: A 31 HIS : no HD1:sc= -1.55 K(o=-5.6,f=-8.5) USER MOD Single : A 8 MET CE :methyl -173:sc= -0.0484 (180deg=-0.0847) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.996 K(o=1,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0829 USER MOD Single : A 23 HIS : no HE2:sc= -2.36 K(o=-2.4,f=-6!) USER MOD Single : A 25 GLN : amide:sc= -1.15 K(o=-1.1,f=-7.3!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -84:sc= 1.17 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -72:sc= 1.21 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.565 K(o=0.57,f=-4.9!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.21! K(o=-2.2!,f=-0.29) USER MOD Single : A 58 GLN : amide:sc= 0.365 K(o=0.36,f=-3.7!) USER MOD Single : A 62 THR OG1 : rot -62:sc= 0.347 USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0.571 (180deg=0.569) USER MOD Single : A 75 LYS NZ :NH3+ -109:sc= 0.205 (180deg=0) USER MOD Single : A 77 SER OG : rot -3:sc= 0.875 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.0155 X(o=-0.015,f=-0.35) USER MOD Single : A 83 LYS NZ :NH3+ 150:sc=-0.00492 (180deg=-0.126) USER MOD Single : A 84 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 86 THR OG1 : rot 50:sc= 1.17 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 1.1 K(o=1.1,f=-2.8!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 1.14 K(o=1.1,f=-0.028) USER MOD Single : A 118 MET CE :methyl -163:sc= 0 (180deg=-0.0973) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 13.028 18.257 -7.083 1.00 0.00 N ATOM 98 CA PHE A 7 12.726 17.305 -6.005 1.00 0.00 C ATOM 99 C PHE A 7 13.404 15.960 -6.268 1.00 0.00 C ATOM 100 O PHE A 7 13.652 15.604 -7.404 1.00 0.00 O ATOM 101 CB PHE A 7 11.204 17.078 -5.912 1.00 0.00 C ATOM 102 CG PHE A 7 10.287 18.278 -5.856 1.00 0.00 C ATOM 103 CD1 PHE A 7 10.040 18.933 -4.637 1.00 0.00 C ATOM 104 CD2 PHE A 7 9.626 18.701 -7.024 1.00 0.00 C ATOM 105 CE1 PHE A 7 9.173 20.037 -4.605 1.00 0.00 C ATOM 106 CE2 PHE A 7 8.782 19.819 -6.997 1.00 0.00 C ATOM 107 CZ PHE A 7 8.564 20.487 -5.786 1.00 0.00 C ATOM 0 HA PHE A 7 13.100 17.724 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 7 10.908 16.477 -6.772 1.00 0.00 H new ATOM 0 HB3 PHE A 7 11.015 16.477 -5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.515 18.589 -3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.770 18.160 -7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.975 20.540 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 7 8.304 20.163 -7.902 1.00 0.00 H new ATOM 0 HZ PHE A 7 7.922 21.355 -5.761 1.00 0.00 H new ATOM 117 N MET A 8 13.710 15.227 -5.199 1.00 0.00 N ATOM 118 CA MET A 8 14.132 13.819 -5.316 1.00 0.00 C ATOM 119 C MET A 8 13.443 12.984 -4.259 1.00 0.00 C ATOM 120 O MET A 8 13.201 13.454 -3.144 1.00 0.00 O ATOM 121 CB MET A 8 15.652 13.682 -5.191 1.00 0.00 C ATOM 122 CG MET A 8 16.239 14.197 -3.868 1.00 0.00 C ATOM 123 SD MET A 8 17.996 13.828 -3.636 1.00 0.00 S ATOM 124 CE MET A 8 17.875 12.069 -3.212 1.00 0.00 C ATOM 0 H MET A 8 13.676 15.577 -4.242 1.00 0.00 H new ATOM 0 HA MET A 8 13.844 13.459 -6.304 1.00 0.00 H new ATOM 0 HB2 MET A 8 15.919 12.631 -5.306 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.120 14.221 -6.014 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.097 15.277 -3.817 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.677 13.763 -3.041 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.855 11.699 -2.913 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.172 11.941 -2.389 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.525 11.509 -4.079 1.00 0.00 H new ATOM 134 N CYS A 9 13.141 11.745 -4.603 1.00 0.00 N ATOM 135 CA CYS A 9 12.586 10.798 -3.646 1.00 0.00 C ATOM 136 C CYS A 9 13.617 10.495 -2.517 1.00 0.00 C ATOM 137 O CYS A 9 14.829 10.686 -2.692 1.00 0.00 O ATOM 138 CB CYS A 9 12.189 9.504 -4.369 1.00 0.00 C ATOM 139 SG CYS A 9 11.561 8.287 -3.196 1.00 0.00 S ATOM 0 H CYS A 9 13.271 11.368 -5.542 1.00 0.00 H new ATOM 0 HA CYS A 9 11.699 11.236 -3.189 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.429 9.719 -5.120 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.051 9.097 -4.897 1.00 0.00 H new ATOM 0 HG CYS A 9 11.572 7.109 -3.745 1.00 0.00 H new ATOM 144 N ALA A 10 13.116 10.031 -1.370 1.00 0.00 N ATOM 145 CA ALA A 10 13.966 9.692 -0.226 1.00 0.00 C ATOM 146 C ALA A 10 14.088 8.158 -0.056 1.00 0.00 C ATOM 147 O ALA A 10 14.910 7.678 0.727 1.00 0.00 O ATOM 148 CB ALA A 10 13.381 10.314 1.048 1.00 0.00 C ATOM 0 H ALA A 10 12.120 9.881 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 10 14.964 10.092 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.013 10.062 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.337 11.397 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.376 9.925 1.214 1.00 0.00 H new ATOM 154 N TYR A 11 13.261 7.402 -0.793 1.00 0.00 N ATOM 155 CA TYR A 11 13.212 5.949 -0.657 1.00 0.00 C ATOM 156 C TYR A 11 14.388 5.283 -1.416 1.00 0.00 C ATOM 157 O TYR A 11 14.665 5.622 -2.569 1.00 0.00 O ATOM 158 CB TYR A 11 11.877 5.424 -1.205 1.00 0.00 C ATOM 159 CG TYR A 11 11.513 4.070 -0.645 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.206 3.957 0.720 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.633 2.912 -1.429 1.00 0.00 C ATOM 162 CE1 TYR A 11 11.194 2.687 1.319 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.490 1.639 -0.859 1.00 0.00 C ATOM 164 CZ TYR A 11 11.311 1.520 0.532 1.00 0.00 C ATOM 165 OH TYR A 11 11.296 0.291 1.112 1.00 0.00 O ATOM 0 H TYR A 11 12.618 7.779 -1.489 1.00 0.00 H new ATOM 0 HA TYR A 11 13.299 5.698 0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.086 6.136 -0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.934 5.360 -2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.981 4.838 1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.838 3.003 -2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 11 11.094 2.602 2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.517 0.757 -1.482 1.00 0.00 H new ATOM 0 HH TYR A 11 11.386 -0.398 0.421 1.00 0.00 H new ATOM 175 N PRO A 12 15.075 4.300 -0.777 1.00 0.00 N ATOM 176 CA PRO A 12 16.155 3.556 -1.419 1.00 0.00 C ATOM 177 C PRO A 12 15.650 2.722 -2.601 1.00 0.00 C ATOM 178 O PRO A 12 14.483 2.333 -2.645 1.00 0.00 O ATOM 179 CB PRO A 12 16.700 2.654 -0.302 1.00 0.00 C ATOM 180 CG PRO A 12 15.527 2.475 0.659 1.00 0.00 C ATOM 181 CD PRO A 12 14.814 3.820 0.574 1.00 0.00 C ATOM 0 HA PRO A 12 16.913 4.217 -1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.038 1.696 -0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 12 17.554 3.113 0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.878 1.653 0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 12 15.864 2.259 1.673 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.745 3.712 0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 12 15.195 4.517 1.321 1.00 0.00 H new ATOM 189 N GLY A 13 16.532 2.480 -3.575 1.00 0.00 N ATOM 190 CA GLY A 13 16.131 1.800 -4.815 1.00 0.00 C ATOM 191 C GLY A 13 15.420 2.753 -5.800 1.00 0.00 C ATOM 192 O GLY A 13 15.158 2.384 -6.944 1.00 0.00 O ATOM 0 H GLY A 13 17.517 2.740 -3.533 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.012 1.375 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 13 15.468 0.969 -4.574 1.00 0.00 H new ATOM 196 N CYS A 14 15.139 3.989 -5.343 1.00 0.00 N ATOM 197 CA CYS A 14 14.512 5.011 -6.177 1.00 0.00 C ATOM 198 C CYS A 14 15.322 6.325 -6.118 1.00 0.00 C ATOM 199 O CYS A 14 16.203 6.557 -6.950 1.00 0.00 O ATOM 200 CB CYS A 14 13.063 5.254 -5.699 1.00 0.00 C ATOM 201 SG CYS A 14 12.355 6.663 -6.605 1.00 0.00 S ATOM 0 H CYS A 14 15.342 4.297 -4.392 1.00 0.00 H new ATOM 0 HA CYS A 14 14.494 4.664 -7.210 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.460 4.361 -5.864 1.00 0.00 H new ATOM 0 HB3 CYS A 14 13.051 5.453 -4.627 1.00 0.00 H new ATOM 0 HG CYS A 14 11.257 6.292 -7.194 1.00 0.00 H new ATOM 206 N ASN A 15 15.011 7.174 -5.120 1.00 0.00 N ATOM 207 CA ASN A 15 15.639 8.500 -4.972 1.00 0.00 C ATOM 208 C ASN A 15 15.573 9.317 -6.298 1.00 0.00 C ATOM 209 O ASN A 15 16.416 10.185 -6.550 1.00 0.00 O ATOM 210 CB ASN A 15 17.106 8.340 -4.509 1.00 0.00 C ATOM 211 CG ASN A 15 17.190 7.821 -3.081 1.00 0.00 C ATOM 212 OD1 ASN A 15 17.819 6.812 -2.795 1.00 0.00 O ATOM 213 ND2 ASN A 15 16.590 8.521 -2.136 1.00 0.00 N ATOM 0 H ASN A 15 14.322 6.962 -4.398 1.00 0.00 H new ATOM 0 HA ASN A 15 15.082 9.055 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.626 7.654 -5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.617 9.300 -4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.650 8.221 -1.163 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.066 9.362 -2.379 1.00 0.00 H new ATOM 220 N LYS A 16 14.565 9.022 -7.133 1.00 0.00 N ATOM 221 CA LYS A 16 14.444 9.638 -8.454 1.00 0.00 C ATOM 222 C LYS A 16 13.981 11.065 -8.344 1.00 0.00 C ATOM 223 O LYS A 16 13.414 11.466 -7.333 1.00 0.00 O ATOM 224 CB LYS A 16 13.446 8.839 -9.314 1.00 0.00 C ATOM 225 CG LYS A 16 14.016 7.476 -9.748 1.00 0.00 C ATOM 226 CD LYS A 16 13.008 6.652 -10.561 1.00 0.00 C ATOM 227 CE LYS A 16 11.881 6.119 -9.672 1.00 0.00 C ATOM 228 NZ LYS A 16 10.883 5.360 -10.448 1.00 0.00 N ATOM 0 H LYS A 16 13.823 8.358 -6.912 1.00 0.00 H new ATOM 0 HA LYS A 16 15.427 9.628 -8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.526 8.684 -8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.184 9.420 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.915 7.634 -10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.314 6.912 -8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.587 7.269 -11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.520 5.819 -11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.302 5.479 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.392 6.952 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.136 5.016 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.463 5.978 -11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.345 4.550 -10.910 1.00 0.00 H new ATOM 242 N ARG A 17 14.237 11.847 -9.393 1.00 0.00 N ATOM 243 CA ARG A 17 14.016 13.278 -9.343 1.00 0.00 C ATOM 244 C ARG A 17 12.677 13.662 -9.992 1.00 0.00 C ATOM 245 O ARG A 17 12.344 13.201 -11.081 1.00 0.00 O ATOM 246 CB ARG A 17 15.168 14.012 -10.055 1.00 0.00 C ATOM 247 CG ARG A 17 16.378 14.321 -9.156 1.00 0.00 C ATOM 248 CD ARG A 17 17.081 13.106 -8.531 1.00 0.00 C ATOM 249 NE ARG A 17 18.313 13.539 -7.852 1.00 0.00 N ATOM 250 CZ ARG A 17 19.078 12.850 -7.010 1.00 0.00 C ATOM 251 NH1 ARG A 17 18.792 11.640 -6.586 1.00 0.00 N ATOM 252 NH2 ARG A 17 20.188 13.391 -6.565 1.00 0.00 N ATOM 0 H ARG A 17 14.597 11.506 -10.284 1.00 0.00 H new ATOM 0 HA ARG A 17 13.983 13.576 -8.295 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.502 13.407 -10.898 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.788 14.947 -10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 17 17.109 14.876 -9.743 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.049 14.979 -8.352 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.416 12.615 -7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.318 12.374 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 17 18.620 14.491 -8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.941 11.176 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 17 19.421 11.164 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 17 20.454 14.329 -6.865 1.00 0.00 H new ATOM 0 HH22 ARG A 17 20.784 12.874 -5.919 1.00 0.00 H new ATOM 266 N TYR A 18 11.939 14.533 -9.303 1.00 0.00 N ATOM 267 CA TYR A 18 10.637 15.014 -9.756 1.00 0.00 C ATOM 268 C TYR A 18 10.655 16.546 -9.932 1.00 0.00 C ATOM 269 O TYR A 18 11.566 17.227 -9.452 1.00 0.00 O ATOM 270 CB TYR A 18 9.571 14.623 -8.731 1.00 0.00 C ATOM 271 CG TYR A 18 9.360 13.129 -8.659 1.00 0.00 C ATOM 272 CD1 TYR A 18 10.200 12.342 -7.850 1.00 0.00 C ATOM 273 CD2 TYR A 18 8.402 12.513 -9.481 1.00 0.00 C ATOM 274 CE1 TYR A 18 10.127 10.943 -7.923 1.00 0.00 C ATOM 275 CE2 TYR A 18 8.389 11.116 -9.620 1.00 0.00 C ATOM 276 CZ TYR A 18 9.298 10.332 -8.882 1.00 0.00 C ATOM 277 OH TYR A 18 9.395 8.995 -9.100 1.00 0.00 O ATOM 0 H TYR A 18 12.232 14.926 -8.409 1.00 0.00 H new ATOM 0 HA TYR A 18 10.407 14.560 -10.720 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.863 14.993 -7.748 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.629 15.108 -8.988 1.00 0.00 H new ATOM 0 HD1 TYR A 18 10.899 12.813 -7.175 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.675 13.114 -10.006 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.707 10.335 -7.244 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.685 10.644 -10.290 1.00 0.00 H new ATOM 0 HH TYR A 18 8.754 8.729 -9.792 1.00 0.00 H new ATOM 287 N PHE A 19 9.634 17.076 -10.623 1.00 0.00 N ATOM 288 CA PHE A 19 9.583 18.508 -10.969 1.00 0.00 C ATOM 289 C PHE A 19 8.199 19.131 -10.647 1.00 0.00 C ATOM 290 O PHE A 19 7.955 20.296 -10.949 1.00 0.00 O ATOM 291 CB PHE A 19 9.893 18.683 -12.459 1.00 0.00 C ATOM 292 CG PHE A 19 9.020 17.935 -13.452 1.00 0.00 C ATOM 293 CD1 PHE A 19 7.810 18.502 -13.898 1.00 0.00 C ATOM 294 CD2 PHE A 19 9.459 16.714 -14.000 1.00 0.00 C ATOM 295 CE1 PHE A 19 7.032 17.840 -14.866 1.00 0.00 C ATOM 296 CE2 PHE A 19 8.693 16.064 -14.985 1.00 0.00 C ATOM 297 CZ PHE A 19 7.475 16.622 -15.411 1.00 0.00 C ATOM 0 H PHE A 19 8.833 16.537 -10.953 1.00 0.00 H new ATOM 0 HA PHE A 19 10.328 19.026 -10.366 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.832 19.746 -12.692 1.00 0.00 H new ATOM 0 HB3 PHE A 19 10.927 18.379 -12.625 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.478 19.448 -13.496 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.387 16.275 -13.663 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.095 18.268 -15.190 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.041 15.136 -15.414 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.880 16.115 -16.156 1.00 0.00 H new ATOM 307 N LYS A 20 7.316 18.347 -10.010 1.00 0.00 N ATOM 308 CA LYS A 20 5.973 18.828 -9.615 1.00 0.00 C ATOM 309 C LYS A 20 5.557 18.222 -8.269 1.00 0.00 C ATOM 310 O LYS A 20 5.249 17.048 -8.193 1.00 0.00 O ATOM 311 CB LYS A 20 4.936 18.458 -10.700 1.00 0.00 C ATOM 312 CG LYS A 20 4.762 19.586 -11.726 1.00 0.00 C ATOM 313 CD LYS A 20 3.781 19.178 -12.833 1.00 0.00 C ATOM 314 CE LYS A 20 3.674 20.296 -13.874 1.00 0.00 C ATOM 315 NZ LYS A 20 2.743 19.931 -14.962 1.00 0.00 N ATOM 0 H LYS A 20 7.503 17.377 -9.755 1.00 0.00 H new ATOM 0 HA LYS A 20 6.012 19.912 -9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.252 17.548 -11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.977 18.243 -10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.398 20.484 -11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.728 19.835 -12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.119 18.257 -13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.800 18.974 -12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.332 21.212 -13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.660 20.503 -14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.692 20.708 -15.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.083 19.070 -15.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.797 19.757 -14.566 1.00 0.00 H new ATOM 329 N LEU A 21 5.734 19.002 -7.196 1.00 0.00 N ATOM 330 CA LEU A 21 5.573 18.480 -5.809 1.00 0.00 C ATOM 331 C LEU A 21 4.354 17.503 -5.697 1.00 0.00 C ATOM 332 O LEU A 21 4.444 16.467 -5.059 1.00 0.00 O ATOM 333 CB LEU A 21 5.388 19.659 -4.829 1.00 0.00 C ATOM 334 CG LEU A 21 5.929 19.442 -3.394 1.00 0.00 C ATOM 335 CD1 LEU A 21 5.551 20.646 -2.527 1.00 0.00 C ATOM 336 CD2 LEU A 21 5.522 18.146 -2.685 1.00 0.00 C ATOM 0 H LEU A 21 5.986 19.989 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 21 6.474 17.922 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.877 20.537 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.324 19.888 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 21 7.007 19.341 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.929 20.499 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.988 21.550 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.466 20.747 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.967 18.120 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.436 18.105 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.872 17.290 -3.262 1.00 0.00 H new ATOM 348 N SER A 22 3.239 17.864 -6.338 1.00 0.00 N ATOM 349 CA SER A 22 2.006 16.996 -6.367 1.00 0.00 C ATOM 350 C SER A 22 2.225 15.696 -7.194 1.00 0.00 C ATOM 351 O SER A 22 1.818 14.613 -6.787 1.00 0.00 O ATOM 352 CB SER A 22 0.827 17.784 -6.959 1.00 0.00 C ATOM 353 OG SER A 22 1.253 18.809 -7.838 1.00 0.00 O ATOM 0 H SER A 22 3.141 18.742 -6.848 1.00 0.00 H new ATOM 0 HA SER A 22 1.787 16.706 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.168 17.100 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.243 18.222 -6.150 1.00 0.00 H new ATOM 0 HG SER A 22 0.471 19.282 -8.192 1.00 0.00 H new ATOM 359 N HIS A 23 2.855 15.833 -8.343 1.00 0.00 N ATOM 360 CA HIS A 23 3.240 14.665 -9.154 1.00 0.00 C ATOM 361 C HIS A 23 4.184 13.747 -8.330 1.00 0.00 C ATOM 362 O HIS A 23 3.945 12.537 -8.203 1.00 0.00 O ATOM 363 CB HIS A 23 3.899 15.129 -10.485 1.00 0.00 C ATOM 364 CG HIS A 23 5.323 14.880 -10.949 1.00 0.00 C ATOM 365 ND1 HIS A 23 5.626 14.453 -12.224 1.00 0.00 N ATOM 366 CD2 HIS A 23 6.489 15.379 -10.431 1.00 0.00 C ATOM 367 CE1 HIS A 23 6.925 14.702 -12.453 1.00 0.00 C ATOM 368 NE2 HIS A 23 7.496 15.263 -11.384 1.00 0.00 N ATOM 0 H HIS A 23 3.117 16.732 -8.747 1.00 0.00 H new ATOM 0 HA HIS A 23 2.352 14.088 -9.414 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.266 14.724 -11.274 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.777 16.212 -10.502 1.00 0.00 H new ATOM 0 HD1 HIS A 23 4.975 14.022 -12.881 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.607 15.796 -9.442 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.439 14.479 -13.376 1.00 0.00 H new ATOM 376 N LEU A 24 5.161 14.362 -7.662 1.00 0.00 N ATOM 377 CA LEU A 24 6.009 13.653 -6.711 1.00 0.00 C ATOM 378 C LEU A 24 5.178 13.083 -5.519 1.00 0.00 C ATOM 379 O LEU A 24 5.463 12.000 -5.034 1.00 0.00 O ATOM 380 CB LEU A 24 7.105 14.596 -6.190 1.00 0.00 C ATOM 381 CG LEU A 24 8.156 14.082 -5.175 1.00 0.00 C ATOM 382 CD1 LEU A 24 7.814 14.522 -3.747 1.00 0.00 C ATOM 383 CD2 LEU A 24 8.426 12.572 -5.183 1.00 0.00 C ATOM 0 H LEU A 24 5.383 15.352 -7.765 1.00 0.00 H new ATOM 0 HA LEU A 24 6.469 12.810 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.649 14.970 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.606 15.451 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 24 9.079 14.547 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.571 14.145 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.789 15.611 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.839 14.124 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.178 12.333 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.504 12.036 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.788 12.272 -6.167 1.00 0.00 H new ATOM 395 N GLN A 25 4.121 13.797 -5.099 1.00 0.00 N ATOM 396 CA GLN A 25 3.223 13.295 -4.040 1.00 0.00 C ATOM 397 C GLN A 25 2.620 11.955 -4.450 1.00 0.00 C ATOM 398 O GLN A 25 2.663 10.988 -3.686 1.00 0.00 O ATOM 399 CB GLN A 25 2.091 14.309 -3.751 1.00 0.00 C ATOM 400 CG GLN A 25 1.224 13.956 -2.532 1.00 0.00 C ATOM 401 CD GLN A 25 0.323 12.725 -2.647 1.00 0.00 C ATOM 402 OE1 GLN A 25 -0.546 12.613 -3.500 1.00 0.00 O ATOM 403 NE2 GLN A 25 0.491 11.750 -1.772 1.00 0.00 N ATOM 0 H GLN A 25 3.867 14.713 -5.470 1.00 0.00 H new ATOM 0 HA GLN A 25 3.812 13.162 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.532 15.294 -3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.450 14.381 -4.630 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.885 13.812 -1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.594 14.816 -2.306 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.211 11.828 -1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.100 10.919 -1.814 1.00 0.00 H new ATOM 412 N MET A 26 2.117 11.881 -5.689 1.00 0.00 N ATOM 413 CA MET A 26 1.595 10.633 -6.227 1.00 0.00 C ATOM 414 C MET A 26 2.678 9.541 -6.201 1.00 0.00 C ATOM 415 O MET A 26 2.456 8.457 -5.665 1.00 0.00 O ATOM 416 CB MET A 26 1.085 10.842 -7.665 1.00 0.00 C ATOM 417 CG MET A 26 0.467 9.545 -8.216 1.00 0.00 C ATOM 418 SD MET A 26 -0.819 8.788 -7.170 1.00 0.00 S ATOM 419 CE MET A 26 -0.806 7.097 -7.822 1.00 0.00 C ATOM 0 H MET A 26 2.064 12.672 -6.331 1.00 0.00 H new ATOM 0 HA MET A 26 0.761 10.310 -5.603 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.343 11.640 -7.681 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.908 11.160 -8.306 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.038 9.754 -9.196 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.265 8.817 -8.366 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.541 6.495 -7.288 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.054 7.114 -8.883 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.185 6.663 -7.688 1.00 0.00 H new ATOM 429 N HIS A 27 3.899 9.888 -6.651 1.00 0.00 N ATOM 430 CA HIS A 27 5.034 8.945 -6.605 1.00 0.00 C ATOM 431 C HIS A 27 5.295 8.474 -5.153 1.00 0.00 C ATOM 432 O HIS A 27 5.468 7.284 -4.901 1.00 0.00 O ATOM 433 CB HIS A 27 6.306 9.614 -7.166 1.00 0.00 C ATOM 434 CG HIS A 27 7.505 8.784 -6.816 1.00 0.00 C ATOM 435 ND1 HIS A 27 7.737 7.481 -7.213 1.00 0.00 N ATOM 436 CD2 HIS A 27 8.456 9.121 -5.896 1.00 0.00 C ATOM 437 CE1 HIS A 27 8.829 7.052 -6.557 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.291 8.030 -5.772 1.00 0.00 N ATOM 0 H HIS A 27 4.124 10.801 -7.046 1.00 0.00 H new ATOM 0 HA HIS A 27 4.781 8.079 -7.217 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.227 9.719 -8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.413 10.618 -6.755 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.538 10.059 -5.368 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.266 6.069 -6.650 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.121 7.978 -5.181 1.00 0.00 H new ATOM 446 N SER A 28 5.205 9.410 -4.208 1.00 0.00 N ATOM 447 CA SER A 28 5.451 9.115 -2.793 1.00 0.00 C ATOM 448 C SER A 28 4.482 8.034 -2.290 1.00 0.00 C ATOM 449 O SER A 28 4.874 7.152 -1.519 1.00 0.00 O ATOM 450 CB SER A 28 5.297 10.391 -1.944 1.00 0.00 C ATOM 451 OG SER A 28 3.956 10.676 -1.587 1.00 0.00 O ATOM 0 H SER A 28 4.963 10.383 -4.396 1.00 0.00 H new ATOM 0 HA SER A 28 6.471 8.745 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.892 10.287 -1.036 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.705 11.237 -2.497 1.00 0.00 H new ATOM 0 HG SER A 28 3.521 11.167 -2.315 1.00 0.00 H new ATOM 457 N ARG A 29 3.233 8.054 -2.809 1.00 0.00 N ATOM 458 CA ARG A 29 2.217 7.058 -2.438 1.00 0.00 C ATOM 459 C ARG A 29 2.727 5.636 -2.701 1.00 0.00 C ATOM 460 O ARG A 29 2.500 4.735 -1.893 1.00 0.00 O ATOM 461 CB ARG A 29 0.921 7.309 -3.227 1.00 0.00 C ATOM 462 CG ARG A 29 -0.287 6.531 -2.681 1.00 0.00 C ATOM 463 CD ARG A 29 -1.611 7.050 -3.272 1.00 0.00 C ATOM 464 NE ARG A 29 -2.157 8.186 -2.504 1.00 0.00 N ATOM 465 CZ ARG A 29 -1.981 9.480 -2.754 1.00 0.00 C ATOM 466 NH1 ARG A 29 -1.346 9.931 -3.811 1.00 0.00 N ATOM 467 NH2 ARG A 29 -2.414 10.383 -1.905 1.00 0.00 N ATOM 0 H ARG A 29 2.911 8.749 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 29 2.011 7.157 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.695 8.375 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.080 7.033 -4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.174 5.472 -2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.315 6.617 -1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.450 7.356 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.341 6.241 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.731 7.953 -1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.958 9.277 -4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.241 10.936 -3.952 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.888 10.093 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.277 11.375 -2.101 1.00 0.00 H new ATOM 481 N LYS A 30 3.463 5.456 -3.818 1.00 0.00 N ATOM 482 CA LYS A 30 4.039 4.146 -4.175 1.00 0.00 C ATOM 483 C LYS A 30 4.934 3.609 -3.044 1.00 0.00 C ATOM 484 O LYS A 30 4.977 2.405 -2.806 1.00 0.00 O ATOM 485 CB LYS A 30 4.869 4.272 -5.473 1.00 0.00 C ATOM 486 CG LYS A 30 5.480 2.962 -6.011 1.00 0.00 C ATOM 487 CD LYS A 30 4.493 2.003 -6.691 1.00 0.00 C ATOM 488 CE LYS A 30 4.080 2.535 -8.069 1.00 0.00 C ATOM 489 NZ LYS A 30 3.452 1.485 -8.898 1.00 0.00 N ATOM 0 H LYS A 30 3.671 6.199 -4.485 1.00 0.00 H new ATOM 0 HA LYS A 30 3.218 3.446 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.233 4.699 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.677 4.982 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.265 3.214 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.958 2.437 -5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.950 1.019 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.610 1.878 -6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.384 3.364 -7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.956 2.929 -8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.187 1.884 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.125 0.705 -9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.601 1.127 -8.419 1.00 0.00 H new ATOM 503 N HIS A 31 5.658 4.512 -2.360 1.00 0.00 N ATOM 504 CA HIS A 31 6.610 4.107 -1.324 1.00 0.00 C ATOM 505 C HIS A 31 5.947 4.026 0.057 1.00 0.00 C ATOM 506 O HIS A 31 6.410 3.287 0.898 1.00 0.00 O ATOM 507 CB HIS A 31 7.797 5.078 -1.281 1.00 0.00 C ATOM 508 CG HIS A 31 8.678 4.895 -2.494 1.00 0.00 C ATOM 509 ND1 HIS A 31 9.083 3.682 -3.013 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.279 5.881 -3.228 1.00 0.00 C ATOM 511 CE1 HIS A 31 9.940 3.934 -4.015 1.00 0.00 C ATOM 512 NE2 HIS A 31 10.095 5.248 -4.173 1.00 0.00 N ATOM 0 H HIS A 31 5.599 5.519 -2.508 1.00 0.00 H new ATOM 0 HA HIS A 31 6.969 3.110 -1.581 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.433 6.105 -1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.378 4.910 -0.374 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.149 6.946 -3.102 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.434 3.179 -4.609 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.697 5.708 -4.856 1.00 0.00 H new ATOM 520 N THR A 32 4.886 4.836 0.302 1.00 0.00 N ATOM 521 CA THR A 32 4.226 4.871 1.656 1.00 0.00 C ATOM 522 C THR A 32 4.008 3.463 2.238 1.00 0.00 C ATOM 523 O THR A 32 4.058 3.278 3.453 1.00 0.00 O ATOM 524 CB THR A 32 2.857 5.578 1.588 1.00 0.00 C ATOM 525 OG1 THR A 32 1.973 4.994 0.652 1.00 0.00 O ATOM 526 CG2 THR A 32 2.940 7.083 1.352 1.00 0.00 C ATOM 0 H THR A 32 4.470 5.460 -0.389 1.00 0.00 H new ATOM 0 HA THR A 32 4.906 5.423 2.305 1.00 0.00 H new ATOM 0 HB THR A 32 2.447 5.429 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.274 5.203 -0.257 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.934 7.502 1.318 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.499 7.548 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.446 7.276 0.406 1.00 0.00 H new ATOM 592 N TYR A 37 7.313 -1.806 10.243 1.00 0.00 N ATOM 593 CA TYR A 37 6.886 -2.175 11.597 1.00 0.00 C ATOM 594 C TYR A 37 7.421 -3.570 11.955 1.00 0.00 C ATOM 595 O TYR A 37 7.901 -4.295 11.090 1.00 0.00 O ATOM 596 CB TYR A 37 5.347 -2.175 11.693 1.00 0.00 C ATOM 597 CG TYR A 37 4.626 -0.897 11.308 1.00 0.00 C ATOM 598 CD1 TYR A 37 4.218 -0.692 9.977 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.307 0.059 12.295 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.529 0.482 9.627 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.592 1.224 11.954 1.00 0.00 C ATOM 602 CZ TYR A 37 3.199 1.435 10.613 1.00 0.00 C ATOM 603 OH TYR A 37 2.496 2.541 10.259 1.00 0.00 O ATOM 0 HA TYR A 37 7.286 -1.442 12.298 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.970 -2.979 11.061 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.073 -2.421 12.719 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.434 -1.436 9.225 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.613 -0.103 13.318 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.251 0.655 8.598 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.346 1.952 12.713 1.00 0.00 H new ATOM 0 HH TYR A 37 2.346 3.100 11.050 1.00 0.00 H new ATOM 613 N GLN A 38 7.260 -3.964 13.218 1.00 0.00 N ATOM 614 CA GLN A 38 7.647 -5.306 13.676 1.00 0.00 C ATOM 615 C GLN A 38 6.481 -5.953 14.429 1.00 0.00 C ATOM 616 O GLN A 38 5.567 -5.258 14.879 1.00 0.00 O ATOM 617 CB GLN A 38 8.883 -5.213 14.602 1.00 0.00 C ATOM 618 CG GLN A 38 9.998 -4.211 14.214 1.00 0.00 C ATOM 619 CD GLN A 38 10.797 -4.556 12.955 1.00 0.00 C ATOM 620 OE1 GLN A 38 11.495 -5.560 12.890 1.00 0.00 O ATOM 621 NE2 GLN A 38 10.785 -3.728 11.925 1.00 0.00 N ATOM 0 H GLN A 38 6.863 -3.373 13.948 1.00 0.00 H new ATOM 0 HA GLN A 38 7.898 -5.918 12.810 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.534 -4.956 15.602 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.330 -6.205 14.665 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.546 -3.229 14.076 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.692 -4.128 15.050 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.212 -2.885 11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.349 -3.932 11.100 1.00 0.00 H new ATOM 630 N CYS A 39 6.488 -7.289 14.508 1.00 0.00 N ATOM 631 CA CYS A 39 5.380 -8.033 15.112 1.00 0.00 C ATOM 632 C CYS A 39 5.084 -7.528 16.539 1.00 0.00 C ATOM 633 O CYS A 39 5.987 -7.399 17.372 1.00 0.00 O ATOM 634 CB CYS A 39 5.700 -9.518 15.148 1.00 0.00 C ATOM 635 SG CYS A 39 4.189 -10.294 15.795 1.00 0.00 S ATOM 0 H CYS A 39 7.248 -7.875 14.162 1.00 0.00 H new ATOM 0 HA CYS A 39 4.494 -7.871 14.498 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.946 -9.895 14.155 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.557 -9.724 15.789 1.00 0.00 H new ATOM 0 HG CYS A 39 4.348 -11.583 15.839 1.00 0.00 H new ATOM 731 N ARG A 46 9.098 -10.914 13.213 1.00 0.00 N ATOM 732 CA ARG A 46 8.705 -10.568 11.844 1.00 0.00 C ATOM 733 C ARG A 46 8.534 -9.060 11.697 1.00 0.00 C ATOM 734 O ARG A 46 8.427 -8.334 12.687 1.00 0.00 O ATOM 735 CB ARG A 46 7.388 -11.279 11.487 1.00 0.00 C ATOM 736 CG ARG A 46 7.605 -12.790 11.320 1.00 0.00 C ATOM 737 CD ARG A 46 6.257 -13.504 11.224 1.00 0.00 C ATOM 738 NE ARG A 46 6.423 -14.955 11.049 1.00 0.00 N ATOM 739 CZ ARG A 46 6.552 -15.854 12.020 1.00 0.00 C ATOM 740 NH1 ARG A 46 6.520 -15.561 13.300 1.00 0.00 N ATOM 741 NH2 ARG A 46 6.720 -17.118 11.702 1.00 0.00 N ATOM 0 HA ARG A 46 9.491 -10.895 11.164 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.650 -11.098 12.268 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.984 -10.862 10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.193 -12.984 10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.173 -13.180 12.165 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.677 -13.310 12.126 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.689 -13.099 10.387 1.00 0.00 H new ATOM 0 HE ARG A 46 6.441 -15.305 10.091 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.390 -14.594 13.599 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.625 -16.300 13.995 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.750 -17.398 10.722 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.820 -17.819 12.436 1.00 0.00 H new ATOM 755 N ARG A 47 8.475 -8.600 10.443 1.00 0.00 N ATOM 756 CA ARG A 47 8.295 -7.179 10.139 1.00 0.00 C ATOM 757 C ARG A 47 7.380 -7.001 8.948 1.00 0.00 C ATOM 758 O ARG A 47 7.296 -7.868 8.078 1.00 0.00 O ATOM 759 CB ARG A 47 9.657 -6.522 9.856 1.00 0.00 C ATOM 760 CG ARG A 47 10.583 -7.227 8.838 1.00 0.00 C ATOM 761 CD ARG A 47 12.071 -6.903 9.071 1.00 0.00 C ATOM 762 NE ARG A 47 12.475 -7.146 10.470 1.00 0.00 N ATOM 763 CZ ARG A 47 12.351 -8.284 11.141 1.00 0.00 C ATOM 764 NH1 ARG A 47 12.254 -9.459 10.564 1.00 0.00 N ATOM 765 NH2 ARG A 47 12.262 -8.249 12.444 1.00 0.00 N ATOM 0 H ARG A 47 8.550 -9.196 9.619 1.00 0.00 H new ATOM 0 HA ARG A 47 7.839 -6.697 11.004 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.476 -5.507 9.502 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.195 -6.438 10.800 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.435 -8.305 8.903 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.303 -6.927 7.828 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.683 -7.511 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.260 -5.861 8.814 1.00 0.00 H new ATOM 0 HE ARG A 47 12.891 -6.361 10.971 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.272 -9.531 9.547 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.161 -10.300 11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.288 -7.354 12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.166 -9.116 12.972 1.00 0.00 H new ATOM 779 N PHE A 48 6.678 -5.872 8.924 1.00 0.00 N ATOM 780 CA PHE A 48 5.686 -5.588 7.889 1.00 0.00 C ATOM 781 C PHE A 48 5.811 -4.156 7.416 1.00 0.00 C ATOM 782 O PHE A 48 6.004 -3.254 8.213 1.00 0.00 O ATOM 783 CB PHE A 48 4.285 -5.818 8.449 1.00 0.00 C ATOM 784 CG PHE A 48 4.086 -7.248 8.880 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.781 -8.205 7.903 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.372 -7.647 10.200 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.741 -9.560 8.244 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.398 -9.013 10.528 1.00 0.00 C ATOM 789 CZ PHE A 48 4.104 -9.968 9.538 1.00 0.00 C ATOM 0 H PHE A 48 6.779 -5.131 9.617 1.00 0.00 H new ATOM 0 HA PHE A 48 5.860 -6.254 7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.119 -5.155 9.298 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.544 -5.559 7.693 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.577 -7.896 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.571 -6.904 10.959 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.431 -10.292 7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.642 -9.327 11.532 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.158 -11.021 9.774 1.00 0.00 H new ATOM 799 N SER A 49 5.681 -3.949 6.105 1.00 0.00 N ATOM 800 CA SER A 49 5.896 -2.625 5.510 1.00 0.00 C ATOM 801 C SER A 49 4.624 -1.742 5.600 1.00 0.00 C ATOM 802 O SER A 49 4.624 -0.600 5.141 1.00 0.00 O ATOM 803 CB SER A 49 6.319 -2.779 4.045 1.00 0.00 C ATOM 804 OG SER A 49 5.227 -3.025 3.185 1.00 0.00 O ATOM 0 H SER A 49 5.429 -4.676 5.436 1.00 0.00 H new ATOM 0 HA SER A 49 6.686 -2.129 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.833 -1.874 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.033 -3.598 3.962 1.00 0.00 H new ATOM 0 HG SER A 49 5.550 -3.113 2.264 1.00 0.00 H new ATOM 810 N ARG A 50 3.554 -2.278 6.219 1.00 0.00 N ATOM 811 CA ARG A 50 2.314 -1.515 6.432 1.00 0.00 C ATOM 812 C ARG A 50 1.641 -1.918 7.745 1.00 0.00 C ATOM 813 O ARG A 50 1.660 -3.091 8.136 1.00 0.00 O ATOM 814 CB ARG A 50 1.340 -1.751 5.263 1.00 0.00 C ATOM 815 CG ARG A 50 1.626 -0.836 4.064 1.00 0.00 C ATOM 816 CD ARG A 50 0.375 -0.579 3.213 1.00 0.00 C ATOM 817 NE ARG A 50 -0.133 -1.812 2.591 1.00 0.00 N ATOM 818 CZ ARG A 50 0.022 -2.183 1.324 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.658 -1.454 0.440 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.436 -3.336 0.936 1.00 0.00 N ATOM 0 H ARG A 50 3.526 -3.232 6.578 1.00 0.00 H new ATOM 0 HA ARG A 50 2.574 -0.458 6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.405 -2.792 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.319 -1.586 5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.020 0.115 4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.399 -1.288 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.404 -0.141 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.609 0.149 2.436 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.657 -2.447 3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.061 -0.558 0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.750 -1.783 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.909 -3.947 1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.322 -3.630 -0.034 1.00 0.00 H new ATOM 834 N SER A 51 0.982 -0.941 8.384 1.00 0.00 N ATOM 835 CA SER A 51 0.261 -1.172 9.642 1.00 0.00 C ATOM 836 C SER A 51 -0.828 -2.232 9.459 1.00 0.00 C ATOM 837 O SER A 51 -0.984 -3.115 10.289 1.00 0.00 O ATOM 838 CB SER A 51 -0.373 0.143 10.126 1.00 0.00 C ATOM 839 OG SER A 51 -0.991 0.000 11.392 1.00 0.00 O ATOM 0 H SER A 51 0.934 0.021 8.048 1.00 0.00 H new ATOM 0 HA SER A 51 0.972 -1.532 10.386 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.394 0.916 10.182 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.111 0.479 9.398 1.00 0.00 H new ATOM 0 HG SER A 51 -1.380 0.857 11.665 1.00 0.00 H new ATOM 845 N ASP A 52 -1.550 -2.160 8.333 1.00 0.00 N ATOM 846 CA ASP A 52 -2.635 -3.105 8.042 1.00 0.00 C ATOM 847 C ASP A 52 -2.097 -4.548 7.880 1.00 0.00 C ATOM 848 O ASP A 52 -2.723 -5.498 8.342 1.00 0.00 O ATOM 849 CB ASP A 52 -3.371 -2.676 6.768 1.00 0.00 C ATOM 850 CG ASP A 52 -2.455 -2.327 5.595 1.00 0.00 C ATOM 851 OD1 ASP A 52 -2.058 -3.243 4.842 1.00 0.00 O ATOM 852 OD2 ASP A 52 -2.111 -1.130 5.487 1.00 0.00 O ATOM 0 H ASP A 52 -1.402 -1.457 7.609 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.327 -3.096 8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.042 -3.479 6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.993 -1.811 6.997 1.00 0.00 H new ATOM 857 N GLN A 53 -0.910 -4.691 7.272 1.00 0.00 N ATOM 858 CA GLN A 53 -0.276 -6.005 7.110 1.00 0.00 C ATOM 859 C GLN A 53 0.187 -6.557 8.476 1.00 0.00 C ATOM 860 O GLN A 53 0.035 -7.745 8.756 1.00 0.00 O ATOM 861 CB GLN A 53 0.923 -5.895 6.155 1.00 0.00 C ATOM 862 CG GLN A 53 1.419 -7.248 5.626 1.00 0.00 C ATOM 863 CD GLN A 53 0.520 -7.905 4.583 1.00 0.00 C ATOM 864 OE1 GLN A 53 -0.113 -7.265 3.752 1.00 0.00 O ATOM 865 NE2 GLN A 53 0.453 -9.221 4.587 1.00 0.00 N ATOM 0 H GLN A 53 -0.372 -3.915 6.886 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.008 -6.693 6.688 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.646 -5.264 5.310 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.742 -5.395 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.410 -7.110 5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.531 -7.931 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.979 -9.756 5.278 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.125 -9.704 3.899 1.00 0.00 H new ATOM 874 N LEU A 54 0.682 -5.665 9.345 1.00 0.00 N ATOM 875 CA LEU A 54 1.025 -6.030 10.726 1.00 0.00 C ATOM 876 C LEU A 54 -0.255 -6.387 11.536 1.00 0.00 C ATOM 877 O LEU A 54 -0.269 -7.361 12.282 1.00 0.00 O ATOM 878 CB LEU A 54 1.767 -4.853 11.403 1.00 0.00 C ATOM 879 CG LEU A 54 1.994 -4.942 12.924 1.00 0.00 C ATOM 880 CD1 LEU A 54 2.731 -6.207 13.351 1.00 0.00 C ATOM 881 CD2 LEU A 54 2.870 -3.775 13.378 1.00 0.00 C ATOM 0 H LEU A 54 0.854 -4.686 9.116 1.00 0.00 H new ATOM 0 HA LEU A 54 1.673 -6.906 10.706 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.740 -4.746 10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.208 -3.940 11.198 1.00 0.00 H new ATOM 0 HG LEU A 54 1.001 -4.933 13.372 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.858 -6.206 14.434 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.154 -7.082 13.054 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.709 -6.238 12.871 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.031 -3.838 14.454 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.830 -3.820 12.864 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.375 -2.834 13.140 1.00 0.00 H new ATOM 893 N LYS A 55 -1.337 -5.612 11.335 1.00 0.00 N ATOM 894 CA LYS A 55 -2.634 -5.888 11.992 1.00 0.00 C ATOM 895 C LYS A 55 -3.212 -7.224 11.514 1.00 0.00 C ATOM 896 O LYS A 55 -3.776 -7.976 12.303 1.00 0.00 O ATOM 897 CB LYS A 55 -3.637 -4.752 11.694 1.00 0.00 C ATOM 898 CG LYS A 55 -3.746 -3.731 12.840 1.00 0.00 C ATOM 899 CD LYS A 55 -2.498 -2.857 12.994 1.00 0.00 C ATOM 900 CE LYS A 55 -2.609 -1.935 14.206 1.00 0.00 C ATOM 901 NZ LYS A 55 -1.416 -1.071 14.305 1.00 0.00 N ATOM 0 H LYS A 55 -1.342 -4.793 10.727 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.464 -5.945 13.067 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.333 -4.236 10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.620 -5.183 11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.610 -3.090 12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.927 -4.262 13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.618 -3.492 13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.356 -2.260 12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.505 -1.320 14.123 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.713 -2.528 15.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.596 -0.308 14.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.603 -1.637 14.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.207 -0.659 13.373 1.00 0.00 H new ATOM 915 N ARG A 56 -3.012 -7.541 10.226 1.00 0.00 N ATOM 916 CA ARG A 56 -3.343 -8.868 9.697 1.00 0.00 C ATOM 917 C ARG A 56 -2.494 -9.941 10.399 1.00 0.00 C ATOM 918 O ARG A 56 -3.026 -10.912 10.930 1.00 0.00 O ATOM 919 CB ARG A 56 -3.088 -8.904 8.168 1.00 0.00 C ATOM 920 CG ARG A 56 -3.400 -10.242 7.473 1.00 0.00 C ATOM 921 CD ARG A 56 -2.659 -10.406 6.131 1.00 0.00 C ATOM 922 NE ARG A 56 -3.154 -9.526 5.055 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.762 -9.552 3.779 1.00 0.00 C ATOM 924 NH1 ARG A 56 -1.931 -10.449 3.294 1.00 0.00 N ATOM 925 NH2 ARG A 56 -3.190 -8.666 2.916 1.00 0.00 N ATOM 0 H ARG A 56 -2.624 -6.898 9.536 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.397 -9.074 9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.687 -8.123 7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.042 -8.656 7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.127 -11.063 8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.474 -10.315 7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.599 -10.208 6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.745 -11.443 5.806 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.860 -8.835 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.551 -11.174 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.667 -10.420 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.837 -7.936 3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.877 -8.706 1.946 1.00 0.00 H new ATOM 939 N HIS A 57 -1.184 -9.694 10.494 1.00 0.00 N ATOM 940 CA HIS A 57 -0.258 -10.646 11.111 1.00 0.00 C ATOM 941 C HIS A 57 -0.621 -10.904 12.587 1.00 0.00 C ATOM 942 O HIS A 57 -0.590 -12.043 13.045 1.00 0.00 O ATOM 943 CB HIS A 57 1.173 -10.112 11.020 1.00 0.00 C ATOM 944 CG HIS A 57 2.125 -11.117 11.613 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.302 -12.409 11.169 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.849 -10.969 12.763 1.00 0.00 C ATOM 947 CE1 HIS A 57 3.104 -13.034 12.044 1.00 0.00 C ATOM 948 NE2 HIS A 57 3.465 -12.194 13.016 1.00 0.00 N ATOM 0 H HIS A 57 -0.741 -8.842 10.151 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.334 -11.589 10.570 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.434 -9.918 9.980 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.252 -9.163 11.551 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.929 -10.074 13.362 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.413 -14.066 11.972 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.080 -12.409 13.801 1.00 0.00 H new ATOM 956 N GLN A 58 -1.045 -9.850 13.295 1.00 0.00 N ATOM 957 CA GLN A 58 -1.450 -9.968 14.701 1.00 0.00 C ATOM 958 C GLN A 58 -2.516 -11.070 14.883 1.00 0.00 C ATOM 959 O GLN A 58 -2.512 -11.781 15.889 1.00 0.00 O ATOM 960 CB GLN A 58 -2.012 -8.634 15.203 1.00 0.00 C ATOM 961 CG GLN A 58 -1.031 -7.565 15.695 1.00 0.00 C ATOM 962 CD GLN A 58 -1.824 -6.366 16.225 1.00 0.00 C ATOM 963 OE1 GLN A 58 -2.753 -5.876 15.596 1.00 0.00 O ATOM 964 NE2 GLN A 58 -1.552 -5.859 17.412 1.00 0.00 N ATOM 0 H GLN A 58 -1.117 -8.905 12.917 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.567 -10.236 15.280 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.600 -8.198 14.396 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.702 -8.851 16.019 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.394 -7.972 16.480 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.375 -7.253 14.882 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.785 -6.241 17.966 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.108 -5.085 17.776 1.00 0.00 H new ATOM 973 N ARG A 59 -3.453 -11.184 13.920 1.00 0.00 N ATOM 974 CA ARG A 59 -4.528 -12.196 14.005 1.00 0.00 C ATOM 975 C ARG A 59 -3.942 -13.617 14.056 1.00 0.00 C ATOM 976 O ARG A 59 -4.462 -14.475 14.754 1.00 0.00 O ATOM 977 CB ARG A 59 -5.488 -12.064 12.814 1.00 0.00 C ATOM 978 CG ARG A 59 -6.709 -11.169 13.117 1.00 0.00 C ATOM 979 CD ARG A 59 -6.405 -9.712 13.487 1.00 0.00 C ATOM 980 NE ARG A 59 -6.040 -9.554 14.907 1.00 0.00 N ATOM 981 CZ ARG A 59 -5.453 -8.506 15.472 1.00 0.00 C ATOM 982 NH1 ARG A 59 -5.068 -7.447 14.792 1.00 0.00 N ATOM 983 NH2 ARG A 59 -5.206 -8.535 16.761 1.00 0.00 N ATOM 0 H ARG A 59 -3.489 -10.598 13.086 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.084 -12.019 14.926 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.946 -11.653 11.962 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.835 -13.055 12.523 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.361 -11.172 12.244 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.270 -11.620 13.935 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.590 -9.344 12.863 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.277 -9.096 13.269 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.263 -10.336 15.523 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.217 -7.407 13.784 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.621 -6.667 15.273 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.464 -9.354 17.312 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.756 -7.739 17.212 1.00 0.00 H new ATOM 997 N ARG A 60 -2.809 -13.834 13.373 1.00 0.00 N ATOM 998 CA ARG A 60 -2.096 -15.128 13.440 1.00 0.00 C ATOM 999 C ARG A 60 -1.726 -15.484 14.901 1.00 0.00 C ATOM 1000 O ARG A 60 -1.657 -16.658 15.258 1.00 0.00 O ATOM 1001 CB ARG A 60 -0.821 -15.074 12.580 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.218 -16.472 12.389 1.00 0.00 C ATOM 1003 CD ARG A 60 0.936 -16.445 11.384 1.00 0.00 C ATOM 1004 NE ARG A 60 1.393 -17.811 11.087 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.308 -18.172 10.197 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.913 -17.312 9.406 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.642 -19.438 10.084 1.00 0.00 N ATOM 0 H ARG A 60 -2.366 -13.140 12.771 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.761 -15.901 13.055 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.054 -14.640 11.608 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.088 -14.421 13.053 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.139 -16.851 13.347 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.990 -17.159 12.042 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.614 -15.955 10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.762 -15.858 11.786 1.00 0.00 H new ATOM 0 HE ARG A 60 0.959 -18.562 11.624 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.684 -16.320 9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.611 -17.638 8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.198 -20.138 10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.345 -19.721 9.401 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.466 -14.455 15.724 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.017 -14.652 17.114 1.00 0.00 C ATOM 1023 C HIS A 61 -2.170 -14.424 18.132 1.00 0.00 C ATOM 1024 O HIS A 61 -1.965 -14.550 19.338 1.00 0.00 O ATOM 1025 CB HIS A 61 0.130 -13.680 17.423 1.00 0.00 C ATOM 1026 CG HIS A 61 1.445 -14.021 16.775 1.00 0.00 C ATOM 1027 ND1 HIS A 61 2.156 -15.185 16.975 1.00 0.00 N ATOM 1028 CD2 HIS A 61 2.233 -13.168 16.050 1.00 0.00 C ATOM 1029 CE1 HIS A 61 3.356 -15.030 16.391 1.00 0.00 C ATOM 1030 NE2 HIS A 61 3.450 -13.819 15.833 1.00 0.00 N ATOM 0 H HIS A 61 -1.559 -13.477 15.451 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.679 -15.684 17.212 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.166 -12.680 17.106 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.273 -13.642 18.503 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.831 -16.012 17.475 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.965 -12.179 15.710 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.135 -15.778 16.375 1.00 0.00 H new ATOM 1038 N THR A 62 -3.359 -14.037 17.637 1.00 0.00 N ATOM 1039 CA THR A 62 -4.478 -13.618 18.526 1.00 0.00 C ATOM 1040 C THR A 62 -5.807 -14.305 18.139 1.00 0.00 C ATOM 1041 O THR A 62 -6.797 -14.196 18.860 1.00 0.00 O ATOM 1042 CB THR A 62 -4.680 -12.090 18.467 1.00 0.00 C ATOM 1043 OG1 THR A 62 -4.839 -11.615 17.160 1.00 0.00 O ATOM 1044 CG2 THR A 62 -3.475 -11.319 18.989 1.00 0.00 C ATOM 0 H THR A 62 -3.577 -14.003 16.641 1.00 0.00 H new ATOM 0 HA THR A 62 -4.204 -13.920 19.537 1.00 0.00 H new ATOM 0 HB THR A 62 -5.570 -11.930 19.075 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.028 -11.803 16.643 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.672 -10.249 18.924 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.291 -11.592 20.028 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.599 -11.564 18.389 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.823 -14.988 16.989 1.00 0.00 N ATOM 1053 CA GLY A 63 -7.052 -15.585 16.476 1.00 0.00 C ATOM 1054 C GLY A 63 -8.024 -14.524 15.959 1.00 0.00 C ATOM 1055 O GLY A 63 -7.779 -13.905 14.924 1.00 0.00 O ATOM 0 H GLY A 63 -5.002 -15.138 16.402 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.811 -16.280 15.672 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.532 -16.164 17.265 1.00 0.00 H new ATOM 1059 N VAL A 64 -9.112 -14.295 16.722 1.00 0.00 N ATOM 1060 CA VAL A 64 -10.143 -13.265 16.394 1.00 0.00 C ATOM 1061 C VAL A 64 -10.909 -13.615 15.092 1.00 0.00 C ATOM 1062 O VAL A 64 -12.102 -13.898 15.135 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.497 -11.852 16.270 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -10.607 -10.790 16.232 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.575 -11.492 17.445 1.00 0.00 C ATOM 0 H VAL A 64 -9.309 -14.811 17.580 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.860 -13.255 17.215 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.900 -11.873 15.358 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.160 -9.800 16.145 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.255 -10.972 15.375 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.194 -10.844 17.149 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.161 -10.495 17.291 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.146 -11.508 18.374 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.763 -12.217 17.506 1.00 0.00 H new ATOM 1075 N LYS A 65 -10.208 -13.545 13.938 1.00 0.00 N ATOM 1076 CA LYS A 65 -10.838 -13.702 12.599 1.00 0.00 C ATOM 1077 C LYS A 65 -12.146 -12.866 12.506 1.00 0.00 C ATOM 1078 O LYS A 65 -13.251 -13.409 12.560 1.00 0.00 O ATOM 1079 CB LYS A 65 -11.127 -15.192 12.318 1.00 0.00 C ATOM 1080 CG LYS A 65 -9.806 -15.984 12.235 1.00 0.00 C ATOM 1081 CD LYS A 65 -9.934 -17.314 11.485 1.00 0.00 C ATOM 1082 CE LYS A 65 -10.840 -18.313 12.207 1.00 0.00 C ATOM 1083 NZ LYS A 65 -11.159 -19.459 11.333 1.00 0.00 N ATOM 0 H LYS A 65 -9.202 -13.380 13.903 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.144 -13.332 11.844 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.757 -15.603 13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.679 -15.293 11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.054 -15.369 11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.445 -16.179 13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.329 -17.127 10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.944 -17.752 11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.349 -18.667 13.113 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.761 -17.818 12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.761 -20.132 11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.663 -19.122 10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.279 -19.932 11.045 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.010 -11.521 12.412 1.00 0.00 N ATOM 1098 CA PRO A 66 -13.142 -10.596 12.536 1.00 0.00 C ATOM 1099 C PRO A 66 -14.109 -10.636 11.336 1.00 0.00 C ATOM 1100 O PRO A 66 -15.257 -10.211 11.454 1.00 0.00 O ATOM 1101 CB PRO A 66 -12.476 -9.215 12.647 1.00 0.00 C ATOM 1102 CG PRO A 66 -11.115 -9.374 11.976 1.00 0.00 C ATOM 1103 CD PRO A 66 -10.740 -10.807 12.329 1.00 0.00 C ATOM 0 HA PRO A 66 -13.766 -10.857 13.390 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.072 -8.449 12.152 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.369 -8.912 13.688 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.174 -9.224 10.898 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.388 -8.658 12.359 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.091 -11.243 11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.200 -10.852 13.275 1.00 0.00 H new ATOM 1111 N PHE A 67 -13.658 -11.187 10.197 1.00 0.00 N ATOM 1112 CA PHE A 67 -14.547 -11.374 9.044 1.00 0.00 C ATOM 1113 C PHE A 67 -15.343 -12.680 9.212 1.00 0.00 C ATOM 1114 O PHE A 67 -14.769 -13.717 9.452 1.00 0.00 O ATOM 1115 CB PHE A 67 -13.720 -11.411 7.739 1.00 0.00 C ATOM 1116 CG PHE A 67 -12.932 -10.136 7.476 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.523 -9.062 6.778 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.620 -10.001 7.961 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.818 -7.856 6.608 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -10.904 -8.807 7.771 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.505 -7.731 7.096 1.00 0.00 C ATOM 0 H PHE A 67 -12.700 -11.505 10.053 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.245 -10.539 8.988 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.028 -12.252 7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.391 -11.592 6.899 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.519 -9.166 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.157 -10.824 8.485 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.286 -7.025 6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.894 -8.716 8.143 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.960 -6.810 6.952 1.00 0.00 H new ATOM 1131 N GLN A 68 -16.675 -12.596 9.162 1.00 0.00 N ATOM 1132 CA GLN A 68 -17.534 -13.798 9.299 1.00 0.00 C ATOM 1133 C GLN A 68 -18.461 -13.928 8.103 1.00 0.00 C ATOM 1134 O GLN A 68 -19.094 -12.951 7.694 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.365 -13.709 10.590 1.00 0.00 C ATOM 1136 CG GLN A 68 -17.531 -13.446 11.855 1.00 0.00 C ATOM 1137 CD GLN A 68 -18.324 -13.791 13.110 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -18.136 -14.833 13.722 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -19.252 -12.954 13.530 1.00 0.00 N ATOM 0 H GLN A 68 -17.187 -11.724 9.030 1.00 0.00 H new ATOM 0 HA GLN A 68 -16.891 -14.677 9.344 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.102 -12.913 10.481 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -18.918 -14.640 10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.617 -14.039 11.823 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.230 -12.399 11.886 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -19.417 -12.082 13.027 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.804 -13.178 14.358 1.00 0.00 H new ATOM 1148 N CYS A 69 -18.560 -15.143 7.551 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.456 -15.393 6.425 1.00 0.00 C ATOM 1150 C CYS A 69 -20.920 -15.196 6.846 1.00 0.00 C ATOM 1151 O CYS A 69 -21.396 -15.812 7.804 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.265 -16.813 5.904 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.433 -17.008 4.524 1.00 0.00 S ATOM 0 H CYS A 69 -18.035 -15.959 7.865 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.215 -14.682 5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.239 -16.971 5.571 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.462 -17.545 6.687 1.00 0.00 H new ATOM 0 HG CYS A 69 -19.802 -16.858 3.397 1.00 0.00 H new ATOM 1158 N LYS A 70 -21.625 -14.320 6.118 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.040 -14.033 6.386 1.00 0.00 C ATOM 1160 C LYS A 70 -23.956 -15.181 5.894 1.00 0.00 C ATOM 1161 O LYS A 70 -25.165 -15.148 6.114 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.443 -12.713 5.695 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.417 -12.662 4.150 1.00 0.00 C ATOM 1164 CD LYS A 70 -22.022 -12.596 3.490 1.00 0.00 C ATOM 1165 CE LYS A 70 -21.546 -13.935 2.906 1.00 0.00 C ATOM 1166 NZ LYS A 70 -22.343 -14.324 1.726 1.00 0.00 N ATOM 0 H LYS A 70 -21.236 -13.795 5.335 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.166 -13.940 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.453 -12.461 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -22.784 -11.928 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.934 -13.543 3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -23.990 -11.793 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -22.042 -11.851 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -21.297 -12.255 4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.495 -13.859 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.618 -14.712 3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.739 -15.275 1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.118 -13.644 1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.735 -14.328 0.882 1.00 0.00 H new ATOM 1180 N THR A 71 -23.366 -16.183 5.224 1.00 0.00 N ATOM 1181 CA THR A 71 -24.125 -17.344 4.723 1.00 0.00 C ATOM 1182 C THR A 71 -24.147 -18.462 5.765 1.00 0.00 C ATOM 1183 O THR A 71 -25.203 -19.025 6.055 1.00 0.00 O ATOM 1184 CB THR A 71 -23.506 -17.899 3.420 1.00 0.00 C ATOM 1185 OG1 THR A 71 -22.598 -17.021 2.795 1.00 0.00 O ATOM 1186 CG2 THR A 71 -24.593 -18.230 2.399 1.00 0.00 C ATOM 0 H THR A 71 -22.368 -16.215 5.016 1.00 0.00 H new ATOM 0 HA THR A 71 -25.140 -17.002 4.522 1.00 0.00 H new ATOM 0 HB THR A 71 -22.962 -18.790 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 71 -21.757 -17.009 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.133 -18.619 1.491 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.266 -18.980 2.814 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.157 -17.328 2.162 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.965 -18.783 6.321 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.836 -19.825 7.338 1.00 0.00 C ATOM 1196 C CYS A 72 -22.375 -19.222 8.679 1.00 0.00 C ATOM 1197 O CYS A 72 -23.183 -18.992 9.579 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.813 -20.898 6.859 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.191 -20.254 6.324 1.00 0.00 S ATOM 0 H CYS A 72 -22.085 -18.329 6.077 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.810 -20.291 7.487 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.653 -21.609 7.669 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.255 -21.452 6.031 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.364 -19.180 5.613 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.071 -18.964 8.772 1.00 0.00 N ATOM 1205 CA GLN A 73 -20.402 -18.414 9.973 1.00 0.00 C ATOM 1206 C GLN A 73 -18.863 -18.549 9.835 1.00 0.00 C ATOM 1207 O GLN A 73 -18.123 -18.271 10.779 1.00 0.00 O ATOM 1208 CB GLN A 73 -20.870 -19.160 11.259 1.00 0.00 C ATOM 1209 CG GLN A 73 -21.647 -18.256 12.242 1.00 0.00 C ATOM 1210 CD GLN A 73 -20.852 -17.149 12.953 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -21.412 -16.375 13.715 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -19.552 -17.010 12.764 1.00 0.00 N ATOM 0 H GLN A 73 -20.426 -19.132 8.000 1.00 0.00 H new ATOM 0 HA GLN A 73 -20.672 -17.361 10.057 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.502 -20.001 10.973 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -19.999 -19.574 11.768 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -22.465 -17.787 11.696 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.096 -18.893 13.004 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -19.058 -17.642 12.134 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -19.042 -16.271 13.248 1.00 0.00 H new ATOM 1221 N ARG A 74 -18.404 -19.023 8.658 1.00 0.00 N ATOM 1222 CA ARG A 74 -16.990 -19.288 8.409 1.00 0.00 C ATOM 1223 C ARG A 74 -16.163 -18.042 8.646 1.00 0.00 C ATOM 1224 O ARG A 74 -16.307 -17.046 7.930 1.00 0.00 O ATOM 1225 CB ARG A 74 -16.802 -19.762 6.953 1.00 0.00 C ATOM 1226 CG ARG A 74 -16.928 -21.275 6.715 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.579 -21.943 6.396 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.712 -22.106 7.581 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.637 -21.402 7.929 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.226 -20.332 7.289 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.927 -21.775 8.967 1.00 0.00 N ATOM 0 H ARG A 74 -19.008 -19.229 7.863 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.655 -20.065 9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.537 -19.254 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.818 -19.441 6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.359 -21.743 7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.620 -21.452 5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.762 -22.921 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.054 -21.347 5.650 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.972 -22.859 8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.740 -19.996 6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.393 -19.836 7.607 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.200 -22.600 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.102 -21.240 9.239 1.00 0.00 H new ATOM 1245 N LYS A 75 -15.361 -18.058 9.715 1.00 0.00 N ATOM 1246 CA LYS A 75 -14.607 -16.880 10.100 1.00 0.00 C ATOM 1247 C LYS A 75 -13.258 -16.835 9.379 1.00 0.00 C ATOM 1248 O LYS A 75 -12.560 -17.846 9.267 1.00 0.00 O ATOM 1249 CB LYS A 75 -14.377 -16.878 11.621 1.00 0.00 C ATOM 1250 CG LYS A 75 -15.665 -16.983 12.455 1.00 0.00 C ATOM 1251 CD LYS A 75 -15.438 -16.743 13.955 1.00 0.00 C ATOM 1252 CE LYS A 75 -14.981 -15.314 14.264 1.00 0.00 C ATOM 1253 NZ LYS A 75 -14.879 -15.079 15.715 1.00 0.00 N ATOM 0 H LYS A 75 -15.223 -18.869 10.318 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.183 -15.999 9.816 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.722 -17.710 11.879 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.853 -15.963 11.896 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.390 -16.259 12.084 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.101 -17.972 12.314 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.362 -16.949 14.495 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.690 -17.446 14.322 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.013 -15.132 13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.684 -14.604 13.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.645 -14.445 16.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.959 -15.985 16.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.961 -14.641 15.932 1.00 0.00 H new ATOM 1267 N PHE A 76 -12.887 -15.637 8.943 1.00 0.00 N ATOM 1268 CA PHE A 76 -11.618 -15.386 8.287 1.00 0.00 C ATOM 1269 C PHE A 76 -10.943 -14.141 8.888 1.00 0.00 C ATOM 1270 O PHE A 76 -11.606 -13.283 9.487 1.00 0.00 O ATOM 1271 CB PHE A 76 -11.851 -15.169 6.778 1.00 0.00 C ATOM 1272 CG PHE A 76 -12.546 -16.311 6.061 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -11.792 -17.375 5.533 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -13.949 -16.320 5.930 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -12.438 -18.436 4.876 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -14.597 -17.390 5.288 1.00 0.00 C ATOM 1277 CZ PHE A 76 -13.839 -18.455 4.774 1.00 0.00 C ATOM 0 H PHE A 76 -13.469 -14.805 9.038 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.967 -16.247 8.437 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.443 -14.264 6.645 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.888 -14.993 6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.717 -17.376 5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.530 -15.500 6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.856 -19.239 4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.673 -17.393 5.191 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.334 -19.290 4.300 1.00 0.00 H new ATOM 1287 N SER A 77 -9.626 -14.041 8.711 1.00 0.00 N ATOM 1288 CA SER A 77 -8.858 -12.903 9.226 1.00 0.00 C ATOM 1289 C SER A 77 -8.671 -11.820 8.152 1.00 0.00 C ATOM 1290 O SER A 77 -8.084 -10.770 8.424 1.00 0.00 O ATOM 1291 CB SER A 77 -7.481 -13.383 9.709 1.00 0.00 C ATOM 1292 OG SER A 77 -6.669 -12.273 10.014 1.00 0.00 O ATOM 0 H SER A 77 -9.066 -14.734 8.215 1.00 0.00 H new ATOM 0 HA SER A 77 -9.416 -12.470 10.056 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.594 -14.015 10.590 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.007 -13.991 8.939 1.00 0.00 H new ATOM 0 HG SER A 77 -7.154 -11.447 9.807 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.136 -12.099 6.924 1.00 0.00 N ATOM 1299 CA ARG A 78 -8.934 -11.192 5.789 1.00 0.00 C ATOM 1300 C ARG A 78 -10.196 -11.084 4.948 1.00 0.00 C ATOM 1301 O ARG A 78 -10.855 -12.090 4.662 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.781 -11.704 4.916 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.405 -11.586 5.594 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.527 -12.792 5.280 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.254 -12.871 3.843 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.085 -13.078 3.268 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.986 -13.243 3.964 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -4.039 -13.104 1.959 1.00 0.00 N ATOM 0 H ARG A 78 -9.655 -12.947 6.694 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.691 -10.204 6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.964 -12.748 4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.767 -11.144 3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.909 -10.675 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.535 -11.499 6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.589 -12.719 5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.021 -13.705 5.612 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.053 -12.753 3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.018 -13.213 4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.099 -13.401 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.891 -12.966 1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.151 -13.262 1.483 1.00 0.00 H new ATOM 1322 N SER A 79 -10.476 -9.871 4.472 1.00 0.00 N ATOM 1323 CA SER A 79 -11.590 -9.631 3.560 1.00 0.00 C ATOM 1324 C SER A 79 -11.393 -10.402 2.247 1.00 0.00 C ATOM 1325 O SER A 79 -12.341 -10.928 1.693 1.00 0.00 O ATOM 1326 CB SER A 79 -11.709 -8.133 3.269 1.00 0.00 C ATOM 1327 OG SER A 79 -10.458 -7.598 2.875 1.00 0.00 O ATOM 0 H SER A 79 -9.941 -9.035 4.706 1.00 0.00 H new ATOM 0 HA SER A 79 -12.507 -9.983 4.034 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.445 -7.968 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.069 -7.613 4.156 1.00 0.00 H new ATOM 0 HG SER A 79 -10.555 -6.640 2.692 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.148 -10.437 1.747 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.840 -11.125 0.478 1.00 0.00 C ATOM 1335 C ASP A 80 -10.178 -12.660 0.563 1.00 0.00 C ATOM 1336 O ASP A 80 -10.757 -13.225 -0.375 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.353 -10.915 0.112 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.280 -11.246 1.155 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.117 -12.438 1.507 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.578 -10.287 1.544 1.00 0.00 O ATOM 0 H ASP A 80 -9.342 -10.001 2.196 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.463 -10.693 -0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.145 -11.512 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.227 -9.870 -0.170 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.924 -13.279 1.737 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.342 -14.682 1.986 1.00 0.00 C ATOM 1347 C HIS A 81 -11.869 -14.780 2.096 1.00 0.00 C ATOM 1348 O HIS A 81 -12.473 -15.698 1.553 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.712 -15.215 3.292 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.253 -15.531 3.380 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.329 -15.588 2.374 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.618 -15.840 4.548 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.157 -15.910 2.945 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.277 -16.015 4.276 1.00 0.00 N ATOM 0 H HIS A 81 -9.439 -12.839 2.519 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.998 -15.284 1.145 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.925 -14.482 4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.250 -16.125 3.556 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.085 -15.932 5.518 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.236 -16.064 2.402 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.530 -16.189 4.949 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.486 -13.844 2.837 1.00 0.00 N ATOM 1363 CA LEU A 82 -13.938 -13.870 3.059 1.00 0.00 C ATOM 1364 C LEU A 82 -14.701 -13.661 1.737 1.00 0.00 C ATOM 1365 O LEU A 82 -15.668 -14.360 1.462 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.343 -12.786 4.072 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.867 -12.874 4.340 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.226 -12.808 5.819 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.656 -11.773 3.620 1.00 0.00 C ATOM 0 H LEU A 82 -12.004 -13.066 3.288 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.200 -14.849 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.791 -12.918 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.087 -11.799 3.687 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.146 -13.852 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.308 -12.875 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.753 -13.637 6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.874 -11.865 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.718 -11.882 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.312 -10.797 3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.500 -11.857 2.545 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.260 -12.688 0.933 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.856 -12.435 -0.387 1.00 0.00 C ATOM 1383 C LYS A 83 -14.600 -13.620 -1.331 1.00 0.00 C ATOM 1384 O LYS A 83 -15.458 -13.976 -2.132 1.00 0.00 O ATOM 1385 CB LYS A 83 -14.273 -11.144 -0.991 1.00 0.00 C ATOM 1386 CG LYS A 83 -15.200 -10.609 -2.097 1.00 0.00 C ATOM 1387 CD LYS A 83 -14.849 -9.180 -2.544 1.00 0.00 C ATOM 1388 CE LYS A 83 -13.549 -9.086 -3.347 1.00 0.00 C ATOM 1389 NZ LYS A 83 -13.665 -9.779 -4.645 1.00 0.00 N ATOM 0 H LYS A 83 -13.492 -12.061 1.172 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.932 -12.316 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.152 -10.391 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.282 -11.341 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.149 -11.275 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.230 -10.628 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -15.667 -8.787 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.768 -8.543 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.298 -8.039 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.732 -9.522 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.050 -9.314 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.376 -10.772 -4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.651 -9.740 -4.973 1.00 0.00 H new ATOM 1403 N THR A 84 -13.434 -14.261 -1.185 1.00 0.00 N ATOM 1404 CA THR A 84 -13.128 -15.490 -1.933 1.00 0.00 C ATOM 1405 C THR A 84 -14.098 -16.617 -1.537 1.00 0.00 C ATOM 1406 O THR A 84 -14.800 -17.168 -2.389 1.00 0.00 O ATOM 1407 CB THR A 84 -11.681 -15.942 -1.652 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.825 -14.986 -2.244 1.00 0.00 O ATOM 1409 CG2 THR A 84 -11.250 -17.330 -2.105 1.00 0.00 C ATOM 0 H THR A 84 -12.690 -13.952 -0.560 1.00 0.00 H new ATOM 0 HA THR A 84 -13.240 -15.277 -2.996 1.00 0.00 H new ATOM 0 HB THR A 84 -11.621 -16.012 -0.566 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.865 -14.150 -1.734 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.207 -17.494 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.874 -18.081 -1.620 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.360 -17.410 -3.186 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.258 -16.827 -0.230 1.00 0.00 N ATOM 1418 CA HIS A 85 -15.224 -17.792 0.292 1.00 0.00 C ATOM 1419 C HIS A 85 -16.664 -17.397 -0.105 1.00 0.00 C ATOM 1420 O HIS A 85 -17.471 -18.246 -0.461 1.00 0.00 O ATOM 1421 CB HIS A 85 -15.103 -17.861 1.814 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.164 -18.695 2.467 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.360 -20.049 2.310 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.183 -18.205 3.231 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.508 -20.365 2.926 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.023 -19.278 3.509 1.00 0.00 N ATOM 0 H HIS A 85 -13.727 -16.338 0.490 1.00 0.00 H new ATOM 0 HA HIS A 85 -15.008 -18.770 -0.137 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.125 -18.265 2.074 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.148 -16.850 2.219 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.312 -17.183 3.556 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -17.950 -21.350 2.948 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.880 -19.242 4.060 1.00 0.00 H new ATOM 1434 N THR A 86 -16.938 -16.099 -0.133 1.00 0.00 N ATOM 1435 CA THR A 86 -18.230 -15.590 -0.585 1.00 0.00 C ATOM 1436 C THR A 86 -18.517 -16.051 -2.022 1.00 0.00 C ATOM 1437 O THR A 86 -19.613 -16.537 -2.313 1.00 0.00 O ATOM 1438 CB THR A 86 -18.270 -14.052 -0.529 1.00 0.00 C ATOM 1439 OG1 THR A 86 -18.071 -13.628 0.802 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.580 -13.421 -0.977 1.00 0.00 C ATOM 0 H THR A 86 -16.280 -15.374 0.153 1.00 0.00 H new ATOM 0 HA THR A 86 -18.993 -15.988 0.084 1.00 0.00 H new ATOM 0 HB THR A 86 -17.489 -13.732 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.278 -14.070 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.506 -12.336 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.783 -13.699 -2.011 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.391 -13.775 -0.341 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.486 -16.012 -2.896 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.634 -16.496 -4.282 1.00 0.00 C ATOM 1450 C ARG A 87 -17.839 -18.017 -4.310 1.00 0.00 C ATOM 1451 O ARG A 87 -18.475 -18.541 -5.220 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.394 -16.129 -5.113 1.00 0.00 C ATOM 1453 CG ARG A 87 -16.272 -14.632 -5.438 1.00 0.00 C ATOM 1454 CD ARG A 87 -15.233 -14.349 -6.538 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.875 -14.830 -6.220 1.00 0.00 N ATOM 1456 CZ ARG A 87 -13.014 -14.341 -5.337 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -13.290 -13.320 -4.555 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -11.851 -14.929 -5.194 1.00 0.00 N ATOM 0 H ARG A 87 -16.558 -15.656 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.512 -16.015 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.502 -16.446 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.417 -16.691 -6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -17.243 -14.252 -5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.996 -14.089 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.565 -14.816 -7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.194 -13.275 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.557 -15.643 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.202 -12.866 -4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.592 -12.982 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.621 -15.748 -5.757 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.176 -14.567 -4.520 1.00 0.00 H new ATOM 1472 N THR A 88 -17.377 -18.706 -3.252 1.00 0.00 N ATOM 1473 CA THR A 88 -17.606 -20.153 -3.104 1.00 0.00 C ATOM 1474 C THR A 88 -19.079 -20.441 -2.763 1.00 0.00 C ATOM 1475 O THR A 88 -19.634 -21.445 -3.201 1.00 0.00 O ATOM 1476 CB THR A 88 -16.708 -20.746 -1.996 1.00 0.00 C ATOM 1477 OG1 THR A 88 -15.356 -20.556 -2.356 1.00 0.00 O ATOM 1478 CG2 THR A 88 -16.942 -22.229 -1.753 1.00 0.00 C ATOM 0 H THR A 88 -16.845 -18.286 -2.490 1.00 0.00 H new ATOM 0 HA THR A 88 -17.356 -20.621 -4.056 1.00 0.00 H new ATOM 0 HB THR A 88 -16.961 -20.227 -1.072 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.776 -20.927 -1.658 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.277 -22.577 -0.962 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.978 -22.390 -1.454 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.739 -22.784 -2.669 1.00 0.00 H new ATOM 1486 N HIS A 89 -19.733 -19.498 -2.058 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.174 -19.599 -1.786 1.00 0.00 C ATOM 1488 C HIS A 89 -21.987 -19.045 -2.968 1.00 0.00 C ATOM 1489 O HIS A 89 -23.147 -19.405 -3.154 1.00 0.00 O ATOM 1490 CB HIS A 89 -21.523 -18.817 -0.509 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.414 -19.628 0.755 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.103 -20.790 1.034 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -20.745 -19.259 1.889 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.854 -21.109 2.316 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.051 -20.197 2.878 1.00 0.00 N ATOM 0 H HIS A 89 -19.288 -18.666 -1.671 1.00 0.00 H new ATOM 0 HA HIS A 89 -21.426 -20.650 -1.648 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -20.863 -17.953 -0.432 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -22.540 -18.434 -0.596 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.099 -18.401 2.000 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -22.247 -21.979 2.822 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.725 -20.189 3.844 1.00 0.00 H new ATOM 1503 N THR A 90 -21.366 -18.150 -3.745 1.00 0.00 N ATOM 1504 CA THR A 90 -22.055 -17.454 -4.841 1.00 0.00 C ATOM 1505 C THR A 90 -21.900 -18.219 -6.173 1.00 0.00 C ATOM 1506 O THR A 90 -22.499 -17.850 -7.178 1.00 0.00 O ATOM 1507 CB THR A 90 -21.465 -16.033 -5.018 1.00 0.00 C ATOM 1508 OG1 THR A 90 -21.413 -15.371 -3.770 1.00 0.00 O ATOM 1509 CG2 THR A 90 -22.226 -15.085 -5.937 1.00 0.00 C ATOM 0 H THR A 90 -20.386 -17.889 -3.636 1.00 0.00 H new ATOM 0 HA THR A 90 -23.113 -17.397 -4.583 1.00 0.00 H new ATOM 0 HB THR A 90 -20.494 -16.232 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.603 -15.641 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.711 -14.125 -5.976 1.00 0.00 H new ATOM 0 HG22 THR A 90 -22.276 -15.511 -6.939 1.00 0.00 H new ATOM 0 HG23 THR A 90 -23.236 -14.940 -5.554 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.086 -19.289 -6.165 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.780 -20.028 -7.401 1.00 0.00 C ATOM 1519 C GLY A 91 -20.065 -19.144 -8.447 1.00 0.00 C ATOM 1520 O GLY A 91 -20.033 -19.475 -9.632 1.00 0.00 O ATOM 0 H GLY A 91 -20.634 -19.657 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.152 -20.887 -7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.704 -20.418 -7.828 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.512 -18.011 -7.994 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.882 -17.040 -8.884 1.00 0.00 C ATOM 1526 C GLU A 92 -17.474 -17.502 -9.276 1.00 0.00 C ATOM 1527 O GLU A 92 -16.503 -17.258 -8.555 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.818 -15.661 -8.194 1.00 0.00 C ATOM 1529 CG GLU A 92 -18.139 -14.535 -8.992 1.00 0.00 C ATOM 1530 CD GLU A 92 -18.738 -14.352 -10.388 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.315 -15.108 -11.292 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -19.616 -13.473 -10.526 1.00 0.00 O ATOM 0 H GLU A 92 -19.491 -17.748 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.481 -16.957 -9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.835 -15.348 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -18.291 -15.776 -7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -18.227 -13.600 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -17.075 -14.752 -9.084 1.00 0.00 H new ATOM 1539 N LYS A 93 -17.382 -18.204 -10.413 1.00 0.00 N ATOM 1540 CA LYS A 93 -16.111 -18.756 -10.893 1.00 0.00 C ATOM 1541 C LYS A 93 -15.732 -18.142 -12.265 1.00 0.00 C ATOM 1542 O LYS A 93 -15.970 -18.748 -13.311 1.00 0.00 O ATOM 1543 CB LYS A 93 -16.224 -20.289 -11.009 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.406 -20.970 -9.645 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.565 -22.486 -9.782 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.622 -23.130 -8.395 1.00 0.00 C ATOM 1547 NZ LYS A 93 -16.678 -24.602 -8.493 1.00 0.00 N ATOM 0 H LYS A 93 -18.178 -18.403 -11.019 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.326 -18.506 -10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -17.067 -20.540 -11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -15.328 -20.681 -11.490 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.546 -20.751 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -17.283 -20.556 -9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.474 -22.717 -10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.731 -22.898 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -15.746 -22.834 -7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.497 -22.765 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -16.716 -25.012 -7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.527 -24.883 -9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.831 -24.950 -8.986 1.00 0.00 H new ATOM 1561 N PRO A 94 -15.173 -16.908 -12.265 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.878 -16.175 -13.492 1.00 0.00 C ATOM 1563 C PRO A 94 -13.558 -16.617 -14.162 1.00 0.00 C ATOM 1564 O PRO A 94 -13.347 -16.359 -15.347 1.00 0.00 O ATOM 1565 CB PRO A 94 -14.781 -14.717 -13.024 1.00 0.00 C ATOM 1566 CG PRO A 94 -14.238 -14.829 -11.599 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.904 -16.102 -11.082 1.00 0.00 C ATOM 0 HA PRO A 94 -15.641 -16.348 -14.251 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -14.115 -14.135 -13.662 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -15.753 -14.224 -13.045 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.151 -14.907 -11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.503 -13.960 -10.996 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -14.253 -16.631 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.825 -15.873 -10.545 1.00 0.00 H new ATOM 1575 N PHE A 95 -12.672 -17.280 -13.396 1.00 0.00 N ATOM 1576 CA PHE A 95 -11.374 -17.725 -13.932 1.00 0.00 C ATOM 1577 C PHE A 95 -11.541 -19.000 -14.772 1.00 0.00 C ATOM 1578 O PHE A 95 -11.239 -20.101 -14.317 1.00 0.00 O ATOM 1579 CB PHE A 95 -10.383 -17.980 -12.787 1.00 0.00 C ATOM 1580 CG PHE A 95 -10.024 -16.756 -11.985 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -9.089 -15.824 -12.478 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.637 -16.548 -10.743 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.774 -14.679 -11.726 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.330 -15.396 -9.995 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.399 -14.463 -10.485 1.00 0.00 C ATOM 0 H PHE A 95 -12.829 -17.517 -12.416 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.982 -16.935 -14.572 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.808 -18.727 -12.116 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.470 -18.407 -13.202 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.614 -15.990 -13.434 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.343 -17.270 -10.360 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.054 -13.967 -12.100 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.811 -15.228 -9.042 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.164 -13.581 -9.908 1.00 0.00 H new ATOM 1595 N SER A 96 -12.025 -18.833 -16.004 1.00 0.00 N ATOM 1596 CA SER A 96 -12.193 -19.952 -16.934 1.00 0.00 C ATOM 1597 C SER A 96 -10.862 -20.333 -17.566 1.00 0.00 C ATOM 1598 O SER A 96 -10.057 -19.467 -17.916 1.00 0.00 O ATOM 1599 CB SER A 96 -13.182 -19.568 -18.042 1.00 0.00 C ATOM 1600 OG SER A 96 -13.299 -20.598 -19.015 1.00 0.00 O ATOM 0 H SER A 96 -12.309 -17.929 -16.383 1.00 0.00 H new ATOM 0 HA SER A 96 -12.577 -20.804 -16.373 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.160 -19.366 -17.605 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.852 -18.647 -18.523 1.00 0.00 H new ATOM 0 HG SER A 96 -12.469 -20.654 -19.534 1.00 0.00 H new ATOM 1606 N CYS A 97 -10.696 -21.626 -17.821 1.00 0.00 N ATOM 1607 CA CYS A 97 -9.564 -22.128 -18.565 1.00 0.00 C ATOM 1608 C CYS A 97 -9.669 -21.725 -20.044 1.00 0.00 C ATOM 1609 O CYS A 97 -10.749 -21.342 -20.526 1.00 0.00 O ATOM 1610 CB CYS A 97 -9.506 -23.659 -18.437 1.00 0.00 C ATOM 1611 SG CYS A 97 -8.153 -24.401 -19.358 1.00 0.00 S ATOM 0 H CYS A 97 -11.346 -22.350 -17.515 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.651 -21.695 -18.156 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -9.408 -23.925 -17.384 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.448 -24.081 -18.786 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.311 -25.691 -19.397 1.00 0.00 H new ATOM 1616 N ARG A 98 -8.527 -21.779 -20.744 1.00 0.00 N ATOM 1617 CA ARG A 98 -8.445 -21.401 -22.160 1.00 0.00 C ATOM 1618 C ARG A 98 -8.032 -22.602 -23.028 1.00 0.00 C ATOM 1619 O ARG A 98 -8.033 -22.513 -24.254 1.00 0.00 O ATOM 1620 CB ARG A 98 -7.425 -20.255 -22.337 1.00 0.00 C ATOM 1621 CG ARG A 98 -7.704 -18.961 -21.537 1.00 0.00 C ATOM 1622 CD ARG A 98 -8.868 -18.107 -22.067 1.00 0.00 C ATOM 1623 NE ARG A 98 -10.160 -18.783 -21.891 1.00 0.00 N ATOM 1624 CZ ARG A 98 -11.131 -18.925 -22.783 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -11.210 -18.217 -23.889 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -12.025 -19.857 -22.569 1.00 0.00 N ATOM 0 H ARG A 98 -7.639 -22.084 -20.346 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.431 -21.067 -22.483 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.440 -20.627 -22.054 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.377 -19.999 -23.396 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.913 -19.230 -20.502 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.800 -18.353 -21.532 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.884 -17.150 -21.546 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.710 -17.892 -23.124 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.331 -19.192 -20.973 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.500 -17.515 -24.097 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.981 -18.371 -24.539 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.960 -20.445 -21.738 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.786 -19.995 -23.233 1.00 0.00 H new ATOM 1640 N TRP A 99 -7.748 -23.745 -22.384 1.00 0.00 N ATOM 1641 CA TRP A 99 -7.465 -24.982 -23.102 1.00 0.00 C ATOM 1642 C TRP A 99 -8.758 -25.501 -23.788 1.00 0.00 C ATOM 1643 O TRP A 99 -9.815 -25.588 -23.151 1.00 0.00 O ATOM 1644 CB TRP A 99 -6.913 -26.044 -22.130 1.00 0.00 C ATOM 1645 CG TRP A 99 -5.531 -25.791 -21.561 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -5.184 -24.793 -20.713 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -4.295 -26.552 -21.767 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -3.852 -24.887 -20.367 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -3.251 -25.955 -20.990 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -3.945 -27.683 -22.539 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -1.937 -26.446 -20.986 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -2.627 -28.183 -22.546 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -1.625 -27.569 -21.772 1.00 0.00 C ATOM 0 H TRP A 99 -7.710 -23.831 -21.368 1.00 0.00 H new ATOM 0 HA TRP A 99 -6.714 -24.786 -23.867 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -7.611 -26.140 -21.299 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -6.898 -27.004 -22.647 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -5.858 -24.028 -20.357 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -3.375 -24.247 -19.732 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -4.701 -28.173 -23.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -1.176 -25.968 -20.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -2.384 -29.044 -23.150 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.618 -27.960 -21.782 1.00 0.00 H new ATOM 1664 N PRO A 100 -8.702 -25.771 -25.115 1.00 0.00 N ATOM 1665 CA PRO A 100 -9.902 -26.072 -25.914 1.00 0.00 C ATOM 1666 C PRO A 100 -10.530 -27.433 -25.567 1.00 0.00 C ATOM 1667 O PRO A 100 -11.671 -27.705 -25.930 1.00 0.00 O ATOM 1668 CB PRO A 100 -9.389 -26.064 -27.362 1.00 0.00 C ATOM 1669 CG PRO A 100 -7.897 -26.379 -27.252 1.00 0.00 C ATOM 1670 CD PRO A 100 -7.505 -25.702 -25.943 1.00 0.00 C ATOM 0 HA PRO A 100 -10.696 -25.349 -25.727 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.906 -26.807 -27.969 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.555 -25.096 -27.835 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.711 -27.453 -27.224 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.336 -25.981 -28.097 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.666 -26.212 -25.469 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.197 -24.669 -26.108 1.00 0.00 H new ATOM 1678 N SER A 101 -9.782 -28.272 -24.840 1.00 0.00 N ATOM 1679 CA SER A 101 -10.267 -29.591 -24.417 1.00 0.00 C ATOM 1680 C SER A 101 -10.709 -29.574 -22.937 1.00 0.00 C ATOM 1681 O SER A 101 -10.757 -30.621 -22.289 1.00 0.00 O ATOM 1682 CB SER A 101 -9.157 -30.633 -24.610 1.00 0.00 C ATOM 1683 OG SER A 101 -8.044 -30.332 -23.788 1.00 0.00 O ATOM 0 H SER A 101 -8.834 -28.059 -24.531 1.00 0.00 H new ATOM 0 HA SER A 101 -11.131 -29.851 -25.029 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.537 -31.626 -24.369 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.849 -30.655 -25.655 1.00 0.00 H new ATOM 0 HG SER A 101 -7.346 -31.007 -23.922 1.00 0.00 H new ATOM 1689 N CYS A 102 -10.961 -28.367 -22.395 1.00 0.00 N ATOM 1690 CA CYS A 102 -11.264 -28.204 -20.973 1.00 0.00 C ATOM 1691 C CYS A 102 -12.379 -27.152 -20.753 1.00 0.00 C ATOM 1692 O CYS A 102 -13.553 -27.503 -20.622 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.996 -27.786 -20.229 1.00 0.00 C ATOM 1694 SG CYS A 102 -10.439 -27.506 -18.510 1.00 0.00 S ATOM 0 H CYS A 102 -10.959 -27.496 -22.925 1.00 0.00 H new ATOM 0 HA CYS A 102 -11.623 -29.157 -20.584 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -9.234 -28.562 -20.306 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -9.576 -26.881 -20.668 1.00 0.00 H new ATOM 0 HG CYS A 102 -10.011 -26.337 -18.137 1.00 0.00 H new ATOM 1699 N GLN A 103 -11.980 -25.865 -20.664 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.912 -24.756 -20.362 1.00 0.00 C ATOM 1701 C GLN A 103 -13.572 -24.933 -18.955 1.00 0.00 C ATOM 1702 O GLN A 103 -14.736 -24.571 -18.758 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.011 -24.663 -21.456 1.00 0.00 C ATOM 1704 CG GLN A 103 -13.502 -24.608 -22.908 1.00 0.00 C ATOM 1705 CD GLN A 103 -12.747 -23.320 -23.218 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -13.334 -22.272 -23.449 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -11.431 -23.348 -23.259 1.00 0.00 N ATOM 0 H GLN A 103 -11.014 -25.567 -20.798 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.336 -23.831 -20.352 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.673 -25.523 -21.354 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.612 -23.774 -21.267 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.849 -25.461 -23.092 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.348 -24.702 -23.589 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.933 -24.217 -23.068 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.910 -22.500 -23.482 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.779 -25.404 -17.966 1.00 0.00 N ATOM 1717 CA LYS A 104 -13.228 -25.429 -16.553 1.00 0.00 C ATOM 1718 C LYS A 104 -13.171 -24.022 -15.964 1.00 0.00 C ATOM 1719 O LYS A 104 -12.485 -23.159 -16.486 1.00 0.00 O ATOM 1720 CB LYS A 104 -12.329 -26.376 -15.718 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.980 -27.717 -15.325 1.00 0.00 C ATOM 1722 CD LYS A 104 -12.794 -28.873 -16.316 1.00 0.00 C ATOM 1723 CE LYS A 104 -13.472 -28.618 -17.661 1.00 0.00 C ATOM 1724 NZ LYS A 104 -13.270 -29.750 -18.583 1.00 0.00 N ATOM 0 H LYS A 104 -11.838 -25.767 -18.115 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.254 -25.794 -16.521 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.421 -26.583 -16.284 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.026 -25.856 -14.809 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.577 -28.024 -14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.049 -27.552 -15.187 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.729 -29.039 -16.477 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -13.196 -29.787 -15.880 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.539 -28.456 -17.508 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.072 -27.707 -18.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.495 -29.452 -19.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.279 -30.062 -18.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.893 -30.536 -18.309 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.900 -23.800 -14.866 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.990 -22.465 -14.247 1.00 0.00 C ATOM 1740 C LYS A 105 -13.571 -22.517 -12.770 1.00 0.00 C ATOM 1741 O LYS A 105 -13.936 -23.442 -12.045 1.00 0.00 O ATOM 1742 CB LYS A 105 -15.436 -21.938 -14.356 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.818 -21.190 -15.643 1.00 0.00 C ATOM 1744 CD LYS A 105 -15.704 -22.019 -16.926 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.424 -21.344 -18.094 1.00 0.00 C ATOM 1746 NZ LYS A 105 -15.979 -21.923 -19.375 1.00 0.00 N ATOM 0 H LYS A 105 -14.436 -24.522 -14.385 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.313 -21.794 -14.776 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -16.113 -22.785 -14.244 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -15.617 -21.272 -13.512 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.843 -20.833 -15.548 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.181 -20.310 -15.738 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.653 -22.160 -17.177 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.127 -23.010 -16.759 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.502 -21.468 -17.986 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.224 -20.273 -18.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.700 -21.749 -20.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.083 -21.481 -19.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.840 -22.948 -19.263 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.840 -21.484 -12.328 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.400 -21.368 -10.920 1.00 0.00 C ATOM 1762 C PHE A 106 -12.762 -19.996 -10.353 1.00 0.00 C ATOM 1763 O PHE A 106 -13.013 -19.053 -11.102 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.883 -21.589 -10.827 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.514 -22.946 -11.386 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.707 -24.101 -10.606 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -10.167 -23.065 -12.743 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.583 -25.371 -11.195 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -10.060 -24.332 -13.336 1.00 0.00 C ATOM 1770 CZ PHE A 106 -10.280 -25.485 -12.562 1.00 0.00 C ATOM 0 H PHE A 106 -12.538 -20.712 -12.923 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.912 -22.131 -10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.360 -20.807 -11.378 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.561 -21.516 -9.788 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.950 -24.012 -9.557 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.982 -22.178 -13.331 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.721 -26.259 -10.597 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.810 -24.421 -14.383 1.00 0.00 H new ATOM 0 HZ PHE A 106 -10.216 -26.461 -13.020 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.786 -19.888 -9.019 1.00 0.00 N ATOM 1781 CA ALA A 107 -13.112 -18.625 -8.351 1.00 0.00 C ATOM 1782 C ALA A 107 -11.839 -17.909 -7.872 1.00 0.00 C ATOM 1783 O ALA A 107 -11.912 -16.822 -7.293 1.00 0.00 O ATOM 1784 CB ALA A 107 -14.041 -18.896 -7.158 1.00 0.00 C ATOM 0 H ALA A 107 -12.584 -20.659 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.617 -17.977 -9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.282 -17.955 -6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.959 -19.366 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.542 -19.560 -6.452 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.670 -18.518 -8.139 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.386 -17.927 -7.772 1.00 0.00 C ATOM 1792 C ARG A 108 -8.378 -18.053 -8.920 1.00 0.00 C ATOM 1793 O ARG A 108 -8.282 -19.101 -9.578 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.834 -18.613 -6.524 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.682 -18.475 -5.254 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.403 -19.608 -4.265 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.965 -19.833 -4.020 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.461 -20.477 -2.975 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.233 -20.818 -1.978 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.191 -20.790 -2.955 1.00 0.00 N ATOM 0 H ARG A 108 -10.596 -19.420 -8.609 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.544 -16.869 -7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.709 -19.674 -6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.842 -18.211 -6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.473 -17.517 -4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.739 -18.475 -5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.894 -19.383 -3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.848 -20.528 -4.644 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.308 -19.465 -4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.227 -20.589 -2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.842 -21.313 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.591 -20.539 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.800 -21.285 -2.153 1.00 0.00 H new ATOM 1814 N SER A 109 -7.609 -16.988 -9.133 1.00 0.00 N ATOM 1815 CA SER A 109 -6.612 -16.951 -10.194 1.00 0.00 C ATOM 1816 C SER A 109 -5.574 -18.072 -10.014 1.00 0.00 C ATOM 1817 O SER A 109 -5.231 -18.761 -10.968 1.00 0.00 O ATOM 1818 CB SER A 109 -5.904 -15.586 -10.192 1.00 0.00 C ATOM 1819 OG SER A 109 -4.855 -15.536 -11.136 1.00 0.00 O ATOM 0 H SER A 109 -7.660 -16.134 -8.578 1.00 0.00 H new ATOM 0 HA SER A 109 -7.119 -17.101 -11.147 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.628 -14.801 -10.412 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.507 -15.384 -9.197 1.00 0.00 H new ATOM 0 HG SER A 109 -4.430 -14.653 -11.107 1.00 0.00 H new ATOM 1825 N ASP A 110 -5.121 -18.283 -8.768 1.00 0.00 N ATOM 1826 CA ASP A 110 -4.132 -19.329 -8.470 1.00 0.00 C ATOM 1827 C ASP A 110 -4.726 -20.748 -8.681 1.00 0.00 C ATOM 1828 O ASP A 110 -4.019 -21.660 -9.098 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.615 -19.181 -7.037 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.605 -19.507 -5.918 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.783 -19.112 -6.036 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.168 -20.113 -4.915 1.00 0.00 O ATOM 0 H ASP A 110 -5.422 -17.746 -7.955 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.300 -19.206 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.744 -19.825 -6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.273 -18.155 -6.902 1.00 0.00 H new ATOM 1837 N GLU A 111 -6.035 -20.917 -8.399 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.722 -22.193 -8.677 1.00 0.00 C ATOM 1839 C GLU A 111 -6.667 -22.504 -10.169 1.00 0.00 C ATOM 1840 O GLU A 111 -6.344 -23.626 -10.561 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.197 -22.138 -8.218 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.418 -22.568 -6.761 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.913 -22.700 -6.408 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.706 -21.870 -6.917 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.239 -23.603 -5.609 1.00 0.00 O ATOM 0 H GLU A 111 -6.628 -20.198 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.211 -22.979 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.568 -21.121 -8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.793 -22.778 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.921 -23.522 -6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.953 -21.840 -6.096 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.909 -21.479 -11.005 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.775 -21.627 -12.458 1.00 0.00 C ATOM 1854 C LEU A 112 -5.304 -21.938 -12.849 1.00 0.00 C ATOM 1855 O LEU A 112 -5.051 -22.811 -13.681 1.00 0.00 O ATOM 1856 CB LEU A 112 -7.254 -20.350 -13.171 1.00 0.00 C ATOM 1857 CG LEU A 112 -7.119 -20.430 -14.707 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.958 -21.555 -15.323 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -7.535 -19.113 -15.363 1.00 0.00 C ATOM 0 H LEU A 112 -7.196 -20.549 -10.700 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.398 -22.464 -12.774 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.297 -20.166 -12.913 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.680 -19.499 -12.805 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.066 -20.638 -14.897 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.821 -21.560 -16.404 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.640 -22.513 -14.912 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.011 -21.393 -15.091 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.430 -19.196 -16.445 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.574 -18.895 -15.115 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.898 -18.307 -14.998 1.00 0.00 H new ATOM 1871 N VAL A 113 -4.340 -21.235 -12.217 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.897 -21.479 -12.475 1.00 0.00 C ATOM 1873 C VAL A 113 -2.538 -22.944 -12.171 1.00 0.00 C ATOM 1874 O VAL A 113 -1.909 -23.621 -12.989 1.00 0.00 O ATOM 1875 CB VAL A 113 -2.025 -20.540 -11.597 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.528 -20.879 -11.691 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -2.153 -19.054 -11.954 1.00 0.00 C ATOM 0 H VAL A 113 -4.527 -20.502 -11.532 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.699 -21.273 -13.527 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.410 -20.709 -10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.040 -20.195 -11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.365 -21.903 -11.355 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.197 -20.779 -12.725 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.514 -18.465 -11.296 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.848 -18.901 -12.989 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.189 -18.738 -11.831 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.981 -23.434 -11.007 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.757 -24.833 -10.623 1.00 0.00 C ATOM 1889 C ARG A 114 -3.450 -25.771 -11.612 1.00 0.00 C ATOM 1890 O ARG A 114 -2.843 -26.712 -12.109 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.288 -25.088 -9.203 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.046 -26.558 -8.802 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.606 -26.903 -7.425 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.753 -26.375 -6.357 1.00 0.00 N ATOM 1895 CZ ARG A 114 -2.937 -26.571 -5.059 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -3.957 -27.252 -4.589 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.083 -26.053 -4.211 1.00 0.00 N ATOM 0 H ARG A 114 -3.494 -22.885 -10.317 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.685 -25.029 -10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.791 -24.424 -8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.353 -24.862 -9.159 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.501 -27.211 -9.547 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -1.975 -26.760 -8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.612 -26.494 -7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.690 -27.985 -7.325 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.951 -25.810 -6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.642 -27.652 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.064 -27.381 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.291 -25.508 -4.553 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.210 -26.194 -3.209 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.710 -25.474 -11.931 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.486 -26.291 -12.859 1.00 0.00 C ATOM 1913 C HIS A 115 -4.756 -26.442 -14.213 1.00 0.00 C ATOM 1914 O HIS A 115 -4.637 -27.544 -14.736 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.862 -25.661 -13.070 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.513 -26.103 -14.340 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -8.156 -27.301 -14.562 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.414 -25.433 -15.525 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -8.464 -27.332 -15.869 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -8.044 -26.210 -16.464 1.00 0.00 N ATOM 0 H HIS A 115 -5.215 -24.670 -11.558 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.604 -27.286 -12.429 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.506 -25.917 -12.229 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.762 -24.576 -13.077 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.934 -24.480 -15.691 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.975 -28.143 -16.366 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -8.171 -25.973 -17.448 1.00 0.00 H new ATOM 1928 N HIS A 116 -4.227 -25.331 -14.744 1.00 0.00 N ATOM 1929 CA HIS A 116 -3.460 -25.363 -15.999 1.00 0.00 C ATOM 1930 C HIS A 116 -2.234 -26.297 -15.876 1.00 0.00 C ATOM 1931 O HIS A 116 -1.860 -26.966 -16.836 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.996 -23.951 -16.371 1.00 0.00 C ATOM 1933 CG HIS A 116 -4.059 -23.043 -16.940 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -5.214 -23.404 -17.606 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -3.961 -21.678 -16.998 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -5.779 -22.273 -18.057 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -5.057 -21.198 -17.714 1.00 0.00 N ATOM 0 H HIS A 116 -4.315 -24.404 -14.328 1.00 0.00 H new ATOM 0 HA HIS A 116 -4.112 -25.748 -16.783 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.579 -23.479 -15.481 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -2.187 -24.033 -17.097 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.173 -21.079 -16.565 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.698 -22.235 -18.624 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.267 -20.224 -17.933 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.636 -26.365 -14.673 1.00 0.00 N ATOM 1946 CA ASN A 117 -0.480 -27.242 -14.435 1.00 0.00 C ATOM 1947 C ASN A 117 -0.906 -28.737 -14.416 1.00 0.00 C ATOM 1948 O ASN A 117 -0.072 -29.623 -14.587 1.00 0.00 O ATOM 1949 CB ASN A 117 0.209 -26.870 -13.106 1.00 0.00 C ATOM 1950 CG ASN A 117 1.163 -25.696 -13.277 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.364 -25.867 -13.396 1.00 0.00 O ATOM 1952 ND2 ASN A 117 0.681 -24.471 -13.310 1.00 0.00 N ATOM 0 H ASN A 117 -1.932 -25.827 -13.858 1.00 0.00 H new ATOM 0 HA ASN A 117 0.225 -27.099 -15.254 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -0.547 -26.620 -12.362 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.757 -27.732 -12.726 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.311 -23.678 -13.434 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -0.322 -24.315 -13.212 1.00 0.00 H new ATOM 1959 N MET A 118 -2.223 -28.996 -14.284 1.00 0.00 N ATOM 1960 CA MET A 118 -2.764 -30.366 -14.398 1.00 0.00 C ATOM 1961 C MET A 118 -2.919 -30.783 -15.884 1.00 0.00 C ATOM 1962 O MET A 118 -3.194 -31.944 -16.178 1.00 0.00 O ATOM 1963 CB MET A 118 -4.135 -30.460 -13.699 1.00 0.00 C ATOM 1964 CG MET A 118 -4.191 -29.949 -12.256 1.00 0.00 C ATOM 1965 SD MET A 118 -5.829 -30.157 -11.498 1.00 0.00 S ATOM 1966 CE MET A 118 -5.629 -29.158 -10.004 1.00 0.00 C ATOM 0 H MET A 118 -2.927 -28.281 -14.100 1.00 0.00 H new ATOM 0 HA MET A 118 -2.059 -31.042 -13.914 1.00 0.00 H new ATOM 0 HB2 MET A 118 -4.861 -29.901 -14.290 1.00 0.00 H new ATOM 0 HB3 MET A 118 -4.453 -31.502 -13.707 1.00 0.00 H new ATOM 0 HG2 MET A 118 -3.449 -30.479 -11.659 1.00 0.00 H new ATOM 0 HG3 MET A 118 -3.919 -28.894 -12.238 1.00 0.00 H new ATOM 0 HE1 MET A 118 -6.410 -29.413 -9.288 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.653 -29.356 -9.562 1.00 0.00 H new ATOM 0 HE3 MET A 118 -5.703 -28.101 -10.260 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.710 -29.826 -16.811 1.00 0.00 N ATOM 1977 CA HIS A 119 -2.761 -30.113 -18.248 1.00 0.00 C ATOM 1978 C HIS A 119 -1.352 -30.348 -18.797 1.00 0.00 C ATOM 1979 O HIS A 119 -1.182 -30.940 -19.862 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.418 -28.944 -18.998 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.899 -28.768 -18.783 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -5.850 -29.754 -18.937 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.556 -27.578 -18.600 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -7.054 -29.167 -18.859 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.916 -27.849 -18.694 1.00 0.00 N ATOM 0 H HIS A 119 -2.505 -28.853 -16.585 1.00 0.00 H new ATOM 0 HA HIS A 119 -3.354 -31.015 -18.398 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.916 -28.022 -18.704 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.240 -29.077 -20.065 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -5.671 -30.747 -19.083 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.103 -26.615 -18.418 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -7.999 -29.686 -18.921 1.00 0.00 H new