USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 805 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 25 TYR OH : rot -41:sc= 0.998 USER MOD Set 1.2: A 48 HIS : no HD1:sc= 0.511 K(o=1.5,f=-6.8!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -105:sc= -1.56! (180deg=-3.98!) USER MOD Set 2.2: A 16 THR OG1 : rot 74:sc= 0.623 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -140:sc= 0.47 USER MOD Single : A 19 GLN : amide:sc= -1.44 K(o=-1.4,f=-4.9!) USER MOD Single : A 20 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.9!) USER MOD Single : A 21 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.6) USER MOD Single : A 22 THR OG1 : rot -77:sc= 1.12 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.006) USER MOD Single : A 29 ASN : amide:sc= -0.99! C(o=-0.99!,f=-2.9!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -70:sc= 0.172 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 76:sc= -0.791 USER MOD Single : A 56 ASN : amide:sc= 0.711 K(o=0.71,f=-0.18) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.93! C(o=-3.9!,f=-11!) USER MOD Single : A 68 ASN : amide:sc= -6.36! C(o=-6.4!,f=-11!) USER MOD Single : A 69 ASN : amide:sc= -3.71 K(o=-3.7,f=-8.4!) USER MOD Single : A 70 GLN : amide:sc= -3.3! C(o=-3.3!,f=-11!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 161:sc= -1.86 (180deg=-2.38!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -168:sc= -0.552 (180deg=-1.19) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 132:sc= 0.00467! USER MOD Single : A 107 SER OG : rot 180:sc= -0.728 USER MOD Single : A 108 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0189) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.0152 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -7.501 -7.830 2.670 1.00 0.00 N ATOM 136 CA SER A 12 -7.501 -7.917 4.126 1.00 0.00 C ATOM 137 C SER A 12 -6.448 -6.991 4.726 1.00 0.00 C ATOM 138 O SER A 12 -6.760 -6.117 5.535 1.00 0.00 O ATOM 139 CB SER A 12 -7.243 -9.358 4.572 1.00 0.00 C ATOM 140 OG SER A 12 -6.887 -9.412 5.942 1.00 0.00 O ATOM 0 HA SER A 12 -8.482 -7.603 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.135 -9.960 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.446 -9.791 3.969 1.00 0.00 H new ATOM 0 HG SER A 12 -6.729 -10.343 6.202 1.00 0.00 H new ATOM 146 N LYS A 13 -5.197 -7.188 4.323 1.00 0.00 N ATOM 147 CA LYS A 13 -4.095 -6.372 4.818 1.00 0.00 C ATOM 148 C LYS A 13 -4.322 -4.898 4.495 1.00 0.00 C ATOM 149 O LYS A 13 -4.072 -4.024 5.326 1.00 0.00 O ATOM 150 CB LYS A 13 -2.772 -6.840 4.208 1.00 0.00 C ATOM 151 CG LYS A 13 -2.289 -8.173 4.755 1.00 0.00 C ATOM 152 CD LYS A 13 -1.371 -7.985 5.951 1.00 0.00 C ATOM 153 CE LYS A 13 -2.163 -7.760 7.231 1.00 0.00 C ATOM 154 NZ LYS A 13 -2.410 -6.313 7.483 1.00 0.00 N ATOM 0 H LYS A 13 -4.921 -7.907 3.654 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.049 -6.486 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.888 -6.921 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.009 -6.083 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.146 -8.780 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.762 -8.719 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.735 -8.863 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.712 -7.135 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.116 -8.285 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.620 -8.188 8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.785 -5.982 8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.216 -5.772 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.402 -6.174 7.764 1.00 0.00 H new ATOM 168 N LEU A 14 -4.798 -4.629 3.284 1.00 0.00 N ATOM 169 CA LEU A 14 -5.060 -3.261 2.852 1.00 0.00 C ATOM 170 C LEU A 14 -6.110 -2.601 3.740 1.00 0.00 C ATOM 171 O LEU A 14 -5.856 -1.565 4.356 1.00 0.00 O ATOM 172 CB LEU A 14 -5.526 -3.246 1.395 1.00 0.00 C ATOM 173 CG LEU A 14 -6.128 -1.932 0.896 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.046 -0.873 0.745 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.856 -2.145 -0.423 1.00 0.00 C ATOM 0 H LEU A 14 -5.010 -5.340 2.584 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.132 -2.696 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.676 -3.497 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.267 -4.035 1.263 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.850 -1.582 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.493 0.055 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.569 -0.700 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.300 -1.215 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.278 -1.199 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.155 -2.518 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.658 -2.870 -0.283 1.00 0.00 H new ATOM 187 N LEU A 15 -7.290 -3.209 3.804 1.00 0.00 N ATOM 188 CA LEU A 15 -8.379 -2.682 4.619 1.00 0.00 C ATOM 189 C LEU A 15 -7.878 -2.281 6.003 1.00 0.00 C ATOM 190 O LEU A 15 -8.169 -1.187 6.489 1.00 0.00 O ATOM 191 CB LEU A 15 -9.494 -3.721 4.749 1.00 0.00 C ATOM 192 CG LEU A 15 -10.560 -3.432 5.806 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.344 -2.180 5.446 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.495 -4.624 5.960 1.00 0.00 C ATOM 0 H LEU A 15 -7.517 -4.067 3.301 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.774 -1.795 4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.987 -3.819 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.040 -4.686 4.974 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.061 -3.261 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.098 -1.991 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.665 -1.330 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.832 -2.321 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.247 -4.401 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.986 -4.827 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.922 -5.499 6.266 1.00 0.00 H new ATOM 206 N THR A 16 -7.121 -3.173 6.635 1.00 0.00 N ATOM 207 CA THR A 16 -6.579 -2.913 7.962 1.00 0.00 C ATOM 208 C THR A 16 -5.973 -1.517 8.044 1.00 0.00 C ATOM 209 O THR A 16 -6.404 -0.689 8.847 1.00 0.00 O ATOM 210 CB THR A 16 -5.505 -3.949 8.343 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.024 -5.274 8.183 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.045 -3.749 9.779 1.00 0.00 C ATOM 0 H THR A 16 -6.870 -4.083 6.248 1.00 0.00 H new ATOM 0 HA THR A 16 -7.410 -2.988 8.663 1.00 0.00 H new ATOM 0 HB THR A 16 -4.649 -3.812 7.682 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.085 -5.489 7.229 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.287 -4.492 10.025 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.624 -2.750 9.890 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.895 -3.861 10.452 1.00 0.00 H new ATOM 220 N TRP A 17 -4.973 -1.261 7.209 1.00 0.00 N ATOM 221 CA TRP A 17 -4.309 0.038 7.187 1.00 0.00 C ATOM 222 C TRP A 17 -5.328 1.171 7.179 1.00 0.00 C ATOM 223 O TRP A 17 -5.266 2.081 8.006 1.00 0.00 O ATOM 224 CB TRP A 17 -3.396 0.146 5.964 1.00 0.00 C ATOM 225 CG TRP A 17 -2.690 1.464 5.866 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.667 1.907 6.656 1.00 0.00 C ATOM 227 CD2 TRP A 17 -2.955 2.511 4.925 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.281 3.166 6.263 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.054 3.558 5.202 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.863 2.664 3.875 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -2.039 4.740 4.467 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.847 3.838 3.146 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.940 4.863 3.444 1.00 0.00 C ATOM 0 H TRP A 17 -4.604 -1.935 6.538 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.706 0.125 8.091 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.656 -0.653 6.000 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.988 -0.009 5.062 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.227 1.350 7.470 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.539 3.719 6.692 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.565 1.879 3.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.341 5.532 4.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.546 3.967 2.333 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.952 5.768 2.855 1.00 0.00 H new ATOM 244 N CYS A 18 -6.266 1.110 6.240 1.00 0.00 N ATOM 245 CA CYS A 18 -7.300 2.132 6.124 1.00 0.00 C ATOM 246 C CYS A 18 -8.099 2.247 7.419 1.00 0.00 C ATOM 247 O CYS A 18 -8.380 3.349 7.889 1.00 0.00 O ATOM 248 CB CYS A 18 -8.237 1.811 4.959 1.00 0.00 C ATOM 249 SG CYS A 18 -7.402 1.656 3.362 1.00 0.00 S ATOM 0 H CYS A 18 -6.332 0.363 5.548 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.811 3.087 5.934 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.762 0.880 5.174 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.992 2.594 4.888 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.126 2.214 2.438 1.00 0.00 H new ATOM 255 N GLN A 19 -8.462 1.102 7.987 1.00 0.00 N ATOM 256 CA GLN A 19 -9.231 1.074 9.225 1.00 0.00 C ATOM 257 C GLN A 19 -8.488 1.797 10.344 1.00 0.00 C ATOM 258 O GLN A 19 -9.098 2.471 11.173 1.00 0.00 O ATOM 259 CB GLN A 19 -9.521 -0.370 9.639 1.00 0.00 C ATOM 260 CG GLN A 19 -10.643 -1.017 8.844 1.00 0.00 C ATOM 261 CD GLN A 19 -10.731 -2.513 9.070 1.00 0.00 C ATOM 262 OE1 GLN A 19 -9.722 -3.178 9.304 1.00 0.00 O ATOM 263 NE2 GLN A 19 -11.943 -3.052 9.002 1.00 0.00 N ATOM 0 H GLN A 19 -8.236 0.182 7.610 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.175 1.590 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.614 -0.963 9.520 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.778 -0.391 10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.591 -0.555 9.119 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.490 -0.822 7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.753 -2.463 8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.064 -4.054 9.146 1.00 0.00 H new ATOM 272 N GLN A 20 -7.167 1.650 10.361 1.00 0.00 N ATOM 273 CA GLN A 20 -6.340 2.288 11.379 1.00 0.00 C ATOM 274 C GLN A 20 -6.337 3.803 11.206 1.00 0.00 C ATOM 275 O GLN A 20 -6.527 4.547 12.169 1.00 0.00 O ATOM 276 CB GLN A 20 -4.909 1.753 11.313 1.00 0.00 C ATOM 277 CG GLN A 20 -4.803 0.263 11.596 1.00 0.00 C ATOM 278 CD GLN A 20 -3.421 -0.145 12.067 1.00 0.00 C ATOM 279 OE1 GLN A 20 -2.553 0.700 12.288 1.00 0.00 O ATOM 280 NE2 GLN A 20 -3.209 -1.447 12.224 1.00 0.00 N ATOM 0 H GLN A 20 -6.647 1.095 9.682 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.764 2.052 12.355 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.499 1.957 10.324 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.294 2.295 12.031 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.537 -0.012 12.354 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.054 -0.293 10.693 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.957 -2.113 12.029 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.298 -1.781 12.539 1.00 0.00 H new ATOM 289 N GLN A 21 -6.121 4.253 9.975 1.00 0.00 N ATOM 290 CA GLN A 21 -6.092 5.681 9.677 1.00 0.00 C ATOM 291 C GLN A 21 -7.428 6.334 10.015 1.00 0.00 C ATOM 292 O GLN A 21 -7.476 7.364 10.689 1.00 0.00 O ATOM 293 CB GLN A 21 -5.757 5.909 8.202 1.00 0.00 C ATOM 294 CG GLN A 21 -4.437 5.289 7.775 1.00 0.00 C ATOM 295 CD GLN A 21 -3.280 5.716 8.657 1.00 0.00 C ATOM 296 OE1 GLN A 21 -3.220 6.857 9.114 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.351 4.798 8.901 1.00 0.00 N ATOM 0 H GLN A 21 -5.963 3.650 9.167 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.318 6.140 10.292 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.558 5.497 7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.725 6.981 8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.525 4.203 7.799 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.225 5.569 6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.440 3.864 8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.549 5.028 9.488 1.00 0.00 H new ATOM 306 N THR A 22 -8.514 5.729 9.542 1.00 0.00 N ATOM 307 CA THR A 22 -9.851 6.252 9.792 1.00 0.00 C ATOM 308 C THR A 22 -10.200 6.184 11.274 1.00 0.00 C ATOM 309 O THR A 22 -10.798 7.108 11.823 1.00 0.00 O ATOM 310 CB THR A 22 -10.915 5.481 8.989 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.718 4.071 9.143 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.853 5.848 7.514 1.00 0.00 C ATOM 0 H THR A 22 -8.493 4.876 8.983 1.00 0.00 H new ATOM 0 HA THR A 22 -9.848 7.293 9.470 1.00 0.00 H new ATOM 0 HB THR A 22 -11.897 5.755 9.374 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.969 3.782 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.614 5.290 6.968 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.032 6.917 7.397 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.868 5.600 7.118 1.00 0.00 H new ATOM 320 N GLU A 23 -9.821 5.083 11.916 1.00 0.00 N ATOM 321 CA GLU A 23 -10.095 4.895 13.336 1.00 0.00 C ATOM 322 C GLU A 23 -9.991 6.218 14.090 1.00 0.00 C ATOM 323 O GLU A 23 -9.005 6.943 13.960 1.00 0.00 O ATOM 324 CB GLU A 23 -9.124 3.876 13.935 1.00 0.00 C ATOM 325 CG GLU A 23 -9.482 3.453 15.350 1.00 0.00 C ATOM 326 CD GLU A 23 -8.503 2.446 15.923 1.00 0.00 C ATOM 327 OE1 GLU A 23 -8.130 1.502 15.196 1.00 0.00 O ATOM 328 OE2 GLU A 23 -8.111 2.602 17.098 1.00 0.00 O ATOM 0 H GLU A 23 -9.324 4.309 11.476 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.113 4.518 13.437 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.098 2.993 13.297 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.120 4.300 13.935 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.510 4.333 15.992 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.484 3.023 15.354 1.00 0.00 H new ATOM 335 N GLY A 24 -11.016 6.526 14.878 1.00 0.00 N ATOM 336 CA GLY A 24 -11.021 7.760 15.641 1.00 0.00 C ATOM 337 C GLY A 24 -12.047 8.753 15.131 1.00 0.00 C ATOM 338 O GLY A 24 -12.767 9.371 15.916 1.00 0.00 O ATOM 0 H GLY A 24 -11.843 5.943 15.002 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.226 7.536 16.688 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.030 8.213 15.600 1.00 0.00 H new ATOM 342 N TYR A 25 -12.115 8.907 13.813 1.00 0.00 N ATOM 343 CA TYR A 25 -13.058 9.834 13.199 1.00 0.00 C ATOM 344 C TYR A 25 -14.479 9.569 13.687 1.00 0.00 C ATOM 345 O TYR A 25 -14.736 8.580 14.373 1.00 0.00 O ATOM 346 CB TYR A 25 -13.000 9.719 11.675 1.00 0.00 C ATOM 347 CG TYR A 25 -11.958 10.612 11.040 1.00 0.00 C ATOM 348 CD1 TYR A 25 -12.148 11.986 10.958 1.00 0.00 C ATOM 349 CD2 TYR A 25 -10.783 10.082 10.520 1.00 0.00 C ATOM 350 CE1 TYR A 25 -11.200 12.806 10.378 1.00 0.00 C ATOM 351 CE2 TYR A 25 -9.829 10.894 9.939 1.00 0.00 C ATOM 352 CZ TYR A 25 -10.041 12.255 9.871 1.00 0.00 C ATOM 353 OH TYR A 25 -9.093 13.067 9.292 1.00 0.00 O ATOM 0 H TYR A 25 -11.528 8.402 13.149 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.776 10.846 13.491 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.793 8.684 11.405 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.978 9.966 11.263 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -13.053 12.421 11.355 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.613 9.017 10.571 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.365 13.872 10.322 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.922 10.465 9.540 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.536 13.742 8.736 1.00 0.00 H new ATOM 363 N GLN A 26 -15.397 10.459 13.326 1.00 0.00 N ATOM 364 CA GLN A 26 -16.792 10.322 13.726 1.00 0.00 C ATOM 365 C GLN A 26 -17.665 9.935 12.536 1.00 0.00 C ATOM 366 O GLN A 26 -17.332 10.230 11.388 1.00 0.00 O ATOM 367 CB GLN A 26 -17.299 11.627 14.343 1.00 0.00 C ATOM 368 CG GLN A 26 -16.781 11.876 15.750 1.00 0.00 C ATOM 369 CD GLN A 26 -17.165 13.244 16.279 1.00 0.00 C ATOM 370 OE1 GLN A 26 -18.056 13.370 17.119 1.00 0.00 O ATOM 371 NE2 GLN A 26 -16.492 14.278 15.789 1.00 0.00 N ATOM 0 H GLN A 26 -15.200 11.283 12.757 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.853 9.529 14.471 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.005 12.460 13.704 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.389 11.610 14.364 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.172 11.109 16.418 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.695 11.780 15.756 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.761 14.127 15.094 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.706 15.223 16.108 1.00 0.00 H new ATOM 380 N HIS A 27 -18.782 9.273 12.818 1.00 0.00 N ATOM 381 CA HIS A 27 -19.703 8.847 11.770 1.00 0.00 C ATOM 382 C HIS A 27 -18.950 8.176 10.625 1.00 0.00 C ATOM 383 O HIS A 27 -19.410 8.174 9.483 1.00 0.00 O ATOM 384 CB HIS A 27 -20.498 10.042 11.243 1.00 0.00 C ATOM 385 CG HIS A 27 -21.488 10.584 12.227 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.844 10.632 11.981 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.312 11.102 13.465 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.459 11.158 13.025 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.553 11.452 13.939 1.00 0.00 N ATOM 0 H HIS A 27 -19.072 9.020 13.763 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.394 8.123 12.200 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.804 10.835 10.964 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -21.025 9.746 10.336 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.372 11.218 13.983 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.523 11.320 13.116 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.743 11.871 14.849 1.00 0.00 H new ATOM 398 N VAL A 28 -17.790 7.608 10.939 1.00 0.00 N ATOM 399 CA VAL A 28 -16.973 6.933 9.937 1.00 0.00 C ATOM 400 C VAL A 28 -16.673 5.497 10.349 1.00 0.00 C ATOM 401 O VAL A 28 -15.732 5.238 11.098 1.00 0.00 O ATOM 402 CB VAL A 28 -15.645 7.677 9.703 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.779 6.923 8.705 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.906 9.098 9.227 1.00 0.00 C ATOM 0 H VAL A 28 -17.395 7.602 11.879 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.547 6.929 9.010 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.107 7.729 10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.845 7.464 8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.563 5.927 9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.308 6.838 7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.956 9.608 9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.466 9.072 8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.483 9.634 9.980 1.00 0.00 H new ATOM 414 N ASN A 29 -17.480 4.564 9.853 1.00 0.00 N ATOM 415 CA ASN A 29 -17.302 3.152 10.170 1.00 0.00 C ATOM 416 C ASN A 29 -16.860 2.370 8.936 1.00 0.00 C ATOM 417 O ASN A 29 -17.668 2.066 8.058 1.00 0.00 O ATOM 418 CB ASN A 29 -18.601 2.563 10.722 1.00 0.00 C ATOM 419 CG ASN A 29 -19.674 2.429 9.659 1.00 0.00 C ATOM 420 OD1 ASN A 29 -20.071 3.414 9.035 1.00 0.00 O ATOM 421 ND2 ASN A 29 -20.148 1.207 9.447 1.00 0.00 N ATOM 0 H ASN A 29 -18.263 4.761 9.230 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.524 3.071 10.929 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.397 1.583 11.154 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -18.970 3.197 11.529 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -20.871 1.055 8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.789 0.420 9.988 1.00 0.00 H new ATOM 428 N VAL A 30 -15.572 2.046 8.878 1.00 0.00 N ATOM 429 CA VAL A 30 -15.023 1.297 7.753 1.00 0.00 C ATOM 430 C VAL A 30 -15.088 -0.204 8.008 1.00 0.00 C ATOM 431 O VAL A 30 -14.382 -0.732 8.868 1.00 0.00 O ATOM 432 CB VAL A 30 -13.561 1.696 7.474 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.989 0.865 6.336 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.466 3.182 7.160 1.00 0.00 C ATOM 0 H VAL A 30 -14.890 2.290 9.596 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.632 1.541 6.883 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.971 1.498 8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.956 1.161 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.022 -0.191 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.578 1.029 5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.427 3.447 6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.069 3.407 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.834 3.758 8.009 1.00 0.00 H new ATOM 444 N THR A 31 -15.942 -0.890 7.254 1.00 0.00 N ATOM 445 CA THR A 31 -16.101 -2.332 7.398 1.00 0.00 C ATOM 446 C THR A 31 -15.768 -3.054 6.098 1.00 0.00 C ATOM 447 O THR A 31 -15.217 -4.155 6.112 1.00 0.00 O ATOM 448 CB THR A 31 -17.535 -2.699 7.823 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.469 -2.251 6.835 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.876 -2.078 9.169 1.00 0.00 C ATOM 0 H THR A 31 -16.534 -0.470 6.537 1.00 0.00 H new ATOM 0 HA THR A 31 -15.407 -2.651 8.176 1.00 0.00 H new ATOM 0 HB THR A 31 -17.597 -3.783 7.915 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.378 -2.490 7.112 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.894 -2.351 9.448 1.00 0.00 H new ATOM 0 HG22 THR A 31 -17.181 -2.444 9.925 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.798 -0.993 9.099 1.00 0.00 H new ATOM 458 N ASP A 32 -16.105 -2.428 4.976 1.00 0.00 N ATOM 459 CA ASP A 32 -15.839 -3.011 3.665 1.00 0.00 C ATOM 460 C ASP A 32 -15.047 -2.045 2.791 1.00 0.00 C ATOM 461 O ASP A 32 -14.705 -0.941 3.219 1.00 0.00 O ATOM 462 CB ASP A 32 -17.152 -3.385 2.975 1.00 0.00 C ATOM 463 CG ASP A 32 -17.827 -4.579 3.620 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.125 -5.369 4.285 1.00 0.00 O ATOM 465 OD2 ASP A 32 -19.057 -4.723 3.461 1.00 0.00 O ATOM 0 H ASP A 32 -16.563 -1.517 4.947 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.243 -3.912 3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.829 -2.531 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.957 -3.605 1.925 1.00 0.00 H new ATOM 470 N LEU A 33 -14.757 -2.466 1.565 1.00 0.00 N ATOM 471 CA LEU A 33 -14.004 -1.638 0.629 1.00 0.00 C ATOM 472 C LEU A 33 -14.832 -1.330 -0.614 1.00 0.00 C ATOM 473 O LEU A 33 -14.287 -1.076 -1.689 1.00 0.00 O ATOM 474 CB LEU A 33 -12.704 -2.340 0.230 1.00 0.00 C ATOM 475 CG LEU A 33 -11.812 -2.806 1.380 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.926 -3.959 0.935 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.968 -1.653 1.902 1.00 0.00 C ATOM 0 H LEU A 33 -15.032 -3.376 1.196 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.765 -0.697 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.956 -3.206 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.127 -1.662 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.451 -3.158 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.298 -4.277 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.549 -4.793 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.295 -3.635 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.339 -2.004 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.338 -1.270 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.621 -0.858 2.261 1.00 0.00 H new ATOM 489 N THR A 34 -16.152 -1.350 -0.459 1.00 0.00 N ATOM 490 CA THR A 34 -17.055 -1.072 -1.568 1.00 0.00 C ATOM 491 C THR A 34 -18.103 -0.035 -1.177 1.00 0.00 C ATOM 492 O THR A 34 -18.464 0.830 -1.976 1.00 0.00 O ATOM 493 CB THR A 34 -17.769 -2.350 -2.047 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.057 -3.198 -0.929 1.00 0.00 O ATOM 495 CG2 THR A 34 -16.912 -3.104 -3.053 1.00 0.00 C ATOM 0 H THR A 34 -16.619 -1.556 0.424 1.00 0.00 H new ATOM 0 HA THR A 34 -16.444 -0.680 -2.381 1.00 0.00 H new ATOM 0 HB THR A 34 -18.701 -2.059 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.512 -4.008 -1.241 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.437 -4.003 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.718 -2.467 -3.916 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.967 -3.384 -2.588 1.00 0.00 H new ATOM 503 N THR A 35 -18.588 -0.127 0.057 1.00 0.00 N ATOM 504 CA THR A 35 -19.594 0.802 0.554 1.00 0.00 C ATOM 505 C THR A 35 -18.961 1.891 1.412 1.00 0.00 C ATOM 506 O THR A 35 -19.369 3.052 1.360 1.00 0.00 O ATOM 507 CB THR A 35 -20.671 0.075 1.381 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.067 -0.593 2.494 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.422 -0.934 0.524 1.00 0.00 C ATOM 0 H THR A 35 -18.300 -0.836 0.731 1.00 0.00 H new ATOM 0 HA THR A 35 -20.062 1.257 -0.319 1.00 0.00 H new ATOM 0 HB THR A 35 -21.380 0.818 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.759 -1.051 3.015 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.177 -1.435 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 35 -21.905 -0.418 -0.306 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.722 -1.672 0.134 1.00 0.00 H new ATOM 517 N SER A 36 -17.960 1.511 2.200 1.00 0.00 N ATOM 518 CA SER A 36 -17.272 2.455 3.072 1.00 0.00 C ATOM 519 C SER A 36 -16.714 3.628 2.270 1.00 0.00 C ATOM 520 O SER A 36 -16.648 4.754 2.762 1.00 0.00 O ATOM 521 CB SER A 36 -16.141 1.754 3.827 1.00 0.00 C ATOM 522 OG SER A 36 -16.638 0.685 4.612 1.00 0.00 O ATOM 0 H SER A 36 -17.608 0.555 2.252 1.00 0.00 H new ATOM 0 HA SER A 36 -17.995 2.840 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.405 1.376 3.117 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.628 2.471 4.467 1.00 0.00 H new ATOM 0 HG SER A 36 -17.155 1.044 5.364 1.00 0.00 H new ATOM 528 N TRP A 37 -16.314 3.353 1.034 1.00 0.00 N ATOM 529 CA TRP A 37 -15.761 4.384 0.163 1.00 0.00 C ATOM 530 C TRP A 37 -16.755 4.764 -0.930 1.00 0.00 C ATOM 531 O TRP A 37 -16.363 5.104 -2.046 1.00 0.00 O ATOM 532 CB TRP A 37 -14.453 3.902 -0.465 1.00 0.00 C ATOM 533 CG TRP A 37 -13.588 3.128 0.484 1.00 0.00 C ATOM 534 CD1 TRP A 37 -13.874 1.920 1.053 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.299 3.510 0.974 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.840 1.528 1.868 1.00 0.00 N ATOM 537 CE2 TRP A 37 -11.861 2.485 1.836 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.470 4.616 0.768 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.633 2.537 2.490 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.252 4.666 1.418 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.842 3.632 2.270 1.00 0.00 C ATOM 0 H TRP A 37 -16.362 2.425 0.612 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.561 5.268 0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.681 3.278 -1.329 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -13.896 4.764 -0.833 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.780 1.356 0.887 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.807 0.664 2.409 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.776 5.418 0.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.316 1.741 3.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.604 5.517 1.267 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.883 3.700 2.763 1.00 0.00 H new ATOM 552 N ARG A 38 -18.041 4.703 -0.601 1.00 0.00 N ATOM 553 CA ARG A 38 -19.090 5.039 -1.556 1.00 0.00 C ATOM 554 C ARG A 38 -19.368 6.539 -1.552 1.00 0.00 C ATOM 555 O ARG A 38 -19.629 7.135 -2.597 1.00 0.00 O ATOM 556 CB ARG A 38 -20.372 4.271 -1.229 1.00 0.00 C ATOM 557 CG ARG A 38 -21.160 4.866 -0.074 1.00 0.00 C ATOM 558 CD ARG A 38 -22.428 4.072 0.203 1.00 0.00 C ATOM 559 NE ARG A 38 -23.303 4.752 1.154 1.00 0.00 N ATOM 560 CZ ARG A 38 -23.173 4.653 2.472 1.00 0.00 C ATOM 561 NH1 ARG A 38 -22.209 3.907 2.993 1.00 0.00 N ATOM 562 NH2 ARG A 38 -24.009 5.303 3.273 1.00 0.00 N ATOM 0 H ARG A 38 -18.381 4.424 0.319 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.747 4.753 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.006 4.245 -2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.116 3.239 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.538 4.884 0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.419 5.900 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.965 3.909 -0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.162 3.090 0.593 1.00 0.00 H new ATOM 0 HE ARG A 38 -24.055 5.335 0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -21.564 3.407 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -22.112 3.833 4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -24.752 5.879 2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -23.909 5.227 4.285 1.00 0.00 H new ATOM 576 N SER A 39 -19.311 7.143 -0.369 1.00 0.00 N ATOM 577 CA SER A 39 -19.560 8.573 -0.228 1.00 0.00 C ATOM 578 C SER A 39 -18.268 9.369 -0.385 1.00 0.00 C ATOM 579 O SER A 39 -18.246 10.421 -1.023 1.00 0.00 O ATOM 580 CB SER A 39 -20.193 8.870 1.132 1.00 0.00 C ATOM 581 OG SER A 39 -20.242 10.265 1.379 1.00 0.00 O ATOM 0 H SER A 39 -19.095 6.664 0.505 1.00 0.00 H new ATOM 0 HA SER A 39 -20.250 8.875 -1.016 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.201 8.456 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.620 8.378 1.918 1.00 0.00 H new ATOM 0 HG SER A 39 -20.652 10.428 2.254 1.00 0.00 H new ATOM 587 N GLY A 40 -17.190 8.857 0.202 1.00 0.00 N ATOM 588 CA GLY A 40 -15.908 9.531 0.117 1.00 0.00 C ATOM 589 C GLY A 40 -15.272 9.740 1.476 1.00 0.00 C ATOM 590 O GLY A 40 -14.052 9.643 1.621 1.00 0.00 O ATOM 0 H GLY A 40 -17.182 7.987 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.235 8.946 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.040 10.497 -0.371 1.00 0.00 H new ATOM 594 N LEU A 41 -16.097 10.030 2.476 1.00 0.00 N ATOM 595 CA LEU A 41 -15.608 10.255 3.832 1.00 0.00 C ATOM 596 C LEU A 41 -14.420 9.349 4.140 1.00 0.00 C ATOM 597 O LEU A 41 -13.363 9.816 4.562 1.00 0.00 O ATOM 598 CB LEU A 41 -16.726 10.011 4.846 1.00 0.00 C ATOM 599 CG LEU A 41 -17.993 10.847 4.662 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.079 10.391 5.624 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.690 12.325 4.858 1.00 0.00 C ATOM 0 H LEU A 41 -17.108 10.115 2.373 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.280 11.292 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.001 8.957 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.332 10.200 5.844 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.355 10.703 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.973 10.998 5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.316 9.344 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.727 10.504 6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.603 12.905 4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.303 12.487 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.947 12.644 4.127 1.00 0.00 H new ATOM 613 N ALA A 42 -14.602 8.050 3.923 1.00 0.00 N ATOM 614 CA ALA A 42 -13.544 7.079 4.173 1.00 0.00 C ATOM 615 C ALA A 42 -12.202 7.583 3.655 1.00 0.00 C ATOM 616 O ALA A 42 -11.253 7.755 4.422 1.00 0.00 O ATOM 617 CB ALA A 42 -13.891 5.743 3.532 1.00 0.00 C ATOM 0 H ALA A 42 -15.472 7.646 3.575 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.459 6.941 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.092 5.028 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.824 5.369 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.006 5.875 2.456 1.00 0.00 H new ATOM 623 N LEU A 43 -12.127 7.818 2.350 1.00 0.00 N ATOM 624 CA LEU A 43 -10.899 8.302 1.729 1.00 0.00 C ATOM 625 C LEU A 43 -10.528 9.683 2.260 1.00 0.00 C ATOM 626 O LEU A 43 -9.454 9.871 2.833 1.00 0.00 O ATOM 627 CB LEU A 43 -11.060 8.354 0.208 1.00 0.00 C ATOM 628 CG LEU A 43 -9.808 8.727 -0.587 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.697 7.718 -0.337 1.00 0.00 C ATOM 630 CD2 LEU A 43 -10.126 8.816 -2.072 1.00 0.00 C ATOM 0 H LEU A 43 -12.902 7.681 1.701 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.096 7.609 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.406 7.379 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.845 9.072 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.465 9.705 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.814 7.999 -0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.451 7.704 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.029 6.727 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.223 9.082 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.494 7.852 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.889 9.577 -2.236 1.00 0.00 H new ATOM 642 N CYS A 44 -11.424 10.645 2.067 1.00 0.00 N ATOM 643 CA CYS A 44 -11.191 12.009 2.528 1.00 0.00 C ATOM 644 C CYS A 44 -10.581 12.014 3.926 1.00 0.00 C ATOM 645 O CYS A 44 -9.747 12.860 4.247 1.00 0.00 O ATOM 646 CB CYS A 44 -12.500 12.800 2.527 1.00 0.00 C ATOM 647 SG CYS A 44 -13.238 13.004 0.889 1.00 0.00 S ATOM 0 H CYS A 44 -12.317 10.506 1.595 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.488 12.483 1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.216 12.297 3.176 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.317 13.785 2.957 1.00 0.00 H new ATOM 0 HG CYS A 44 -13.804 11.891 0.526 1.00 0.00 H new ATOM 653 N ALA A 45 -11.005 11.065 4.755 1.00 0.00 N ATOM 654 CA ALA A 45 -10.501 10.960 6.118 1.00 0.00 C ATOM 655 C ALA A 45 -8.998 10.698 6.129 1.00 0.00 C ATOM 656 O ALA A 45 -8.266 11.266 6.939 1.00 0.00 O ATOM 657 CB ALA A 45 -11.236 9.860 6.869 1.00 0.00 C ATOM 0 H ALA A 45 -11.697 10.358 4.506 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.681 11.911 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.849 9.793 7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.301 10.090 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.085 8.908 6.360 1.00 0.00 H new ATOM 663 N ILE A 46 -8.547 9.835 5.225 1.00 0.00 N ATOM 664 CA ILE A 46 -7.132 9.498 5.131 1.00 0.00 C ATOM 665 C ILE A 46 -6.292 10.734 4.828 1.00 0.00 C ATOM 666 O ILE A 46 -5.356 11.056 5.561 1.00 0.00 O ATOM 667 CB ILE A 46 -6.876 8.438 4.044 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.561 7.121 4.414 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.382 8.228 3.849 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.542 6.096 3.301 1.00 0.00 C ATOM 0 H ILE A 46 -9.141 9.357 4.547 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.840 9.091 6.099 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.298 8.794 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.071 6.701 5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.595 7.324 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.218 7.476 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.919 9.167 3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.937 7.891 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.045 5.188 3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.057 6.497 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.510 5.864 3.038 1.00 0.00 H new ATOM 682 N ILE A 47 -6.634 11.424 3.745 1.00 0.00 N ATOM 683 CA ILE A 47 -5.913 12.627 3.347 1.00 0.00 C ATOM 684 C ILE A 47 -6.061 13.727 4.391 1.00 0.00 C ATOM 685 O ILE A 47 -5.070 14.240 4.914 1.00 0.00 O ATOM 686 CB ILE A 47 -6.407 13.155 1.987 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.287 12.066 0.918 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.620 14.392 1.582 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.273 12.223 -0.218 1.00 0.00 C ATOM 0 H ILE A 47 -7.406 11.171 3.128 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.862 12.351 3.260 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.457 13.431 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.275 12.075 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.435 11.092 1.385 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.981 14.753 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.752 15.170 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.562 14.140 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.130 11.417 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.289 12.184 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.111 13.182 -0.710 1.00 0.00 H new ATOM 701 N HIS A 48 -7.305 14.086 4.693 1.00 0.00 N ATOM 702 CA HIS A 48 -7.583 15.125 5.678 1.00 0.00 C ATOM 703 C HIS A 48 -6.695 14.960 6.908 1.00 0.00 C ATOM 704 O HIS A 48 -6.267 15.943 7.513 1.00 0.00 O ATOM 705 CB HIS A 48 -9.056 15.086 6.089 1.00 0.00 C ATOM 706 CG HIS A 48 -9.346 15.842 7.349 1.00 0.00 C ATOM 707 ND1 HIS A 48 -10.026 15.293 8.416 1.00 0.00 N ATOM 708 CD2 HIS A 48 -9.042 17.110 7.711 1.00 0.00 C ATOM 709 CE1 HIS A 48 -10.130 16.192 9.378 1.00 0.00 C ATOM 710 NE2 HIS A 48 -9.540 17.304 8.976 1.00 0.00 N ATOM 0 H HIS A 48 -8.136 13.673 4.270 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.366 16.091 5.222 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.661 15.497 5.281 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.361 14.048 6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.507 17.835 7.116 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.615 16.043 10.331 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.466 18.166 9.517 1.00 0.00 H new ATOM 719 N ARG A 49 -6.423 13.711 7.272 1.00 0.00 N ATOM 720 CA ARG A 49 -5.588 13.418 8.431 1.00 0.00 C ATOM 721 C ARG A 49 -4.168 13.935 8.222 1.00 0.00 C ATOM 722 O ARG A 49 -3.707 14.822 8.940 1.00 0.00 O ATOM 723 CB ARG A 49 -5.560 11.912 8.698 1.00 0.00 C ATOM 724 CG ARG A 49 -4.776 11.528 9.942 1.00 0.00 C ATOM 725 CD ARG A 49 -5.588 11.761 11.206 1.00 0.00 C ATOM 726 NE ARG A 49 -4.840 11.407 12.410 1.00 0.00 N ATOM 727 CZ ARG A 49 -3.884 12.168 12.931 1.00 0.00 C ATOM 728 NH1 ARG A 49 -3.562 13.319 12.357 1.00 0.00 N ATOM 729 NH2 ARG A 49 -3.249 11.778 14.029 1.00 0.00 N ATOM 0 H ARG A 49 -6.768 12.886 6.781 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.017 13.925 9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.583 11.550 8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.126 11.407 7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.487 10.479 9.882 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.855 12.110 9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.885 12.809 11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.504 11.172 11.162 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.064 10.528 12.876 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.049 13.622 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.828 13.902 12.759 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.495 10.893 14.473 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.515 12.363 14.429 1.00 0.00 H new ATOM 743 N PHE A 50 -3.479 13.372 7.235 1.00 0.00 N ATOM 744 CA PHE A 50 -2.110 13.775 6.932 1.00 0.00 C ATOM 745 C PHE A 50 -2.055 15.241 6.511 1.00 0.00 C ATOM 746 O PHE A 50 -1.318 16.037 7.092 1.00 0.00 O ATOM 747 CB PHE A 50 -1.529 12.892 5.825 1.00 0.00 C ATOM 748 CG PHE A 50 -0.977 11.589 6.326 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.818 10.617 6.844 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.385 11.335 6.281 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.313 9.416 7.305 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.895 10.136 6.741 1.00 0.00 C ATOM 753 CZ PHE A 50 0.046 9.176 7.254 1.00 0.00 C ATOM 0 H PHE A 50 -3.846 12.636 6.632 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.513 13.652 7.836 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.306 12.689 5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.738 13.439 5.312 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.881 10.800 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.055 12.082 5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.980 8.666 7.704 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.958 9.950 6.699 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.444 8.239 7.615 1.00 0.00 H new ATOM 763 N ARG A 51 -2.839 15.588 5.496 1.00 0.00 N ATOM 764 CA ARG A 51 -2.879 16.957 4.995 1.00 0.00 C ATOM 765 C ARG A 51 -4.307 17.494 4.994 1.00 0.00 C ATOM 766 O ARG A 51 -5.043 17.368 4.014 1.00 0.00 O ATOM 767 CB ARG A 51 -2.297 17.022 3.582 1.00 0.00 C ATOM 768 CG ARG A 51 -0.798 17.274 3.551 1.00 0.00 C ATOM 769 CD ARG A 51 -0.480 18.756 3.670 1.00 0.00 C ATOM 770 NE ARG A 51 0.757 19.108 2.978 1.00 0.00 N ATOM 771 CZ ARG A 51 1.962 18.995 3.524 1.00 0.00 C ATOM 772 NH1 ARG A 51 2.092 18.542 4.763 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.041 19.335 2.830 1.00 0.00 N ATOM 0 H ARG A 51 -3.455 14.941 5.004 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.276 17.578 5.658 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.510 16.085 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.801 17.813 3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.320 16.731 4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.382 16.885 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.304 19.338 3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.396 19.025 4.723 1.00 0.00 H new ATOM 0 HE ARG A 51 0.692 19.460 2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.265 18.279 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.019 18.456 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.945 19.684 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.966 19.248 3.250 1.00 0.00 H new ATOM 787 N PRO A 52 -4.710 18.107 6.117 1.00 0.00 N ATOM 788 CA PRO A 52 -6.053 18.675 6.270 1.00 0.00 C ATOM 789 C PRO A 52 -6.261 19.913 5.404 1.00 0.00 C ATOM 790 O PRO A 52 -7.391 20.260 5.064 1.00 0.00 O ATOM 791 CB PRO A 52 -6.113 19.046 7.754 1.00 0.00 C ATOM 792 CG PRO A 52 -4.693 19.254 8.151 1.00 0.00 C ATOM 793 CD PRO A 52 -3.886 18.293 7.323 1.00 0.00 C ATOM 0 HA PRO A 52 -6.829 17.976 5.958 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.704 19.948 7.913 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.576 18.253 8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.383 20.283 7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.554 19.064 9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.904 18.698 7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.722 17.351 7.847 1.00 0.00 H new ATOM 801 N GLU A 53 -5.163 20.573 5.049 1.00 0.00 N ATOM 802 CA GLU A 53 -5.227 21.773 4.222 1.00 0.00 C ATOM 803 C GLU A 53 -5.844 21.463 2.862 1.00 0.00 C ATOM 804 O GLU A 53 -6.524 22.302 2.270 1.00 0.00 O ATOM 805 CB GLU A 53 -3.829 22.367 4.037 1.00 0.00 C ATOM 806 CG GLU A 53 -3.800 23.585 3.130 1.00 0.00 C ATOM 807 CD GLU A 53 -4.117 24.870 3.869 1.00 0.00 C ATOM 808 OE1 GLU A 53 -5.291 25.061 4.250 1.00 0.00 O ATOM 809 OE2 GLU A 53 -3.192 25.685 4.066 1.00 0.00 O ATOM 0 H GLU A 53 -4.219 20.298 5.321 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.858 22.501 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.428 22.642 5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.170 21.602 3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.815 23.668 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.518 23.449 2.322 1.00 0.00 H new ATOM 816 N LEU A 54 -5.601 20.252 2.371 1.00 0.00 N ATOM 817 CA LEU A 54 -6.132 19.830 1.079 1.00 0.00 C ATOM 818 C LEU A 54 -7.615 19.488 1.185 1.00 0.00 C ATOM 819 O LEU A 54 -8.425 19.936 0.374 1.00 0.00 O ATOM 820 CB LEU A 54 -5.354 18.622 0.556 1.00 0.00 C ATOM 821 CG LEU A 54 -3.834 18.776 0.499 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.182 17.474 0.061 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.448 19.910 -0.440 1.00 0.00 C ATOM 0 H LEU A 54 -5.040 19.546 2.848 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.019 20.658 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.589 17.764 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.713 18.390 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.475 19.020 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.100 17.603 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.431 16.685 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.547 17.199 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.363 20.005 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.820 19.695 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.885 20.843 -0.083 1.00 0.00 H new ATOM 835 N ILE A 55 -7.963 18.693 2.192 1.00 0.00 N ATOM 836 CA ILE A 55 -9.348 18.294 2.406 1.00 0.00 C ATOM 837 C ILE A 55 -9.819 18.672 3.807 1.00 0.00 C ATOM 838 O ILE A 55 -9.198 18.302 4.802 1.00 0.00 O ATOM 839 CB ILE A 55 -9.535 16.779 2.206 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.127 16.376 0.787 1.00 0.00 C ATOM 841 CG2 ILE A 55 -10.977 16.382 2.482 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.270 14.895 0.515 1.00 0.00 C ATOM 0 H ILE A 55 -7.305 18.313 2.872 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.947 18.826 1.667 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.893 16.252 2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.736 16.929 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.091 16.670 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.093 15.308 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.235 16.639 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.638 16.914 1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.963 14.682 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.640 14.336 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.310 14.599 0.651 1.00 0.00 H new ATOM 854 N ASN A 56 -10.922 19.411 3.875 1.00 0.00 N ATOM 855 CA ASN A 56 -11.477 19.839 5.154 1.00 0.00 C ATOM 856 C ASN A 56 -12.804 19.138 5.432 1.00 0.00 C ATOM 857 O ASN A 56 -13.872 19.655 5.104 1.00 0.00 O ATOM 858 CB ASN A 56 -11.677 21.355 5.165 1.00 0.00 C ATOM 859 CG ASN A 56 -11.968 21.911 3.785 1.00 0.00 C ATOM 860 OD1 ASN A 56 -11.220 22.740 3.267 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.059 21.455 3.182 1.00 0.00 N ATOM 0 H ASN A 56 -11.449 19.726 3.060 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.770 19.567 5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.500 21.605 5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.783 21.834 5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.306 21.792 2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.650 20.768 3.649 1.00 0.00 H new ATOM 868 N PHE A 57 -12.728 17.958 6.039 1.00 0.00 N ATOM 869 CA PHE A 57 -13.922 17.186 6.362 1.00 0.00 C ATOM 870 C PHE A 57 -15.058 18.102 6.809 1.00 0.00 C ATOM 871 O PHE A 57 -16.208 17.923 6.409 1.00 0.00 O ATOM 872 CB PHE A 57 -13.614 16.164 7.458 1.00 0.00 C ATOM 873 CG PHE A 57 -14.611 15.044 7.531 1.00 0.00 C ATOM 874 CD1 PHE A 57 -14.445 13.900 6.767 1.00 0.00 C ATOM 875 CD2 PHE A 57 -15.715 15.134 8.363 1.00 0.00 C ATOM 876 CE1 PHE A 57 -15.361 12.867 6.832 1.00 0.00 C ATOM 877 CE2 PHE A 57 -16.634 14.104 8.432 1.00 0.00 C ATOM 878 CZ PHE A 57 -16.457 12.970 7.665 1.00 0.00 C ATOM 0 H PHE A 57 -11.852 17.516 6.317 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.237 16.658 5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.622 15.746 7.285 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.582 16.674 8.421 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.590 13.814 6.113 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.859 16.019 8.965 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.219 11.980 6.232 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.490 14.186 9.085 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.175 12.165 7.717 1.00 0.00 H new ATOM 888 N ASP A 58 -14.725 19.083 7.641 1.00 0.00 N ATOM 889 CA ASP A 58 -15.716 20.028 8.143 1.00 0.00 C ATOM 890 C ASP A 58 -16.758 20.343 7.074 1.00 0.00 C ATOM 891 O ASP A 58 -17.957 20.374 7.351 1.00 0.00 O ATOM 892 CB ASP A 58 -15.035 21.317 8.604 1.00 0.00 C ATOM 893 CG ASP A 58 -13.987 21.068 9.671 1.00 0.00 C ATOM 894 OD1 ASP A 58 -13.083 20.241 9.432 1.00 0.00 O ATOM 895 OD2 ASP A 58 -14.071 21.701 10.745 1.00 0.00 O ATOM 0 H ASP A 58 -13.777 19.244 7.982 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.221 19.569 8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.569 21.805 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.788 22.004 8.991 1.00 0.00 H new ATOM 900 N SER A 59 -16.291 20.577 5.851 1.00 0.00 N ATOM 901 CA SER A 59 -17.182 20.894 4.741 1.00 0.00 C ATOM 902 C SER A 59 -17.839 19.631 4.194 1.00 0.00 C ATOM 903 O SER A 59 -19.039 19.612 3.914 1.00 0.00 O ATOM 904 CB SER A 59 -16.410 21.605 3.628 1.00 0.00 C ATOM 905 OG SER A 59 -17.285 22.341 2.791 1.00 0.00 O ATOM 0 H SER A 59 -15.302 20.553 5.604 1.00 0.00 H new ATOM 0 HA SER A 59 -17.964 21.557 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.670 22.275 4.065 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.864 20.872 3.034 1.00 0.00 H new ATOM 0 HG SER A 59 -16.767 22.788 2.089 1.00 0.00 H new ATOM 911 N LEU A 60 -17.045 18.576 4.043 1.00 0.00 N ATOM 912 CA LEU A 60 -17.548 17.307 3.529 1.00 0.00 C ATOM 913 C LEU A 60 -18.787 16.860 4.298 1.00 0.00 C ATOM 914 O LEU A 60 -18.686 16.342 5.409 1.00 0.00 O ATOM 915 CB LEU A 60 -16.463 16.233 3.618 1.00 0.00 C ATOM 916 CG LEU A 60 -15.133 16.563 2.939 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.098 15.492 3.244 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.324 16.711 1.437 1.00 0.00 C ATOM 0 H LEU A 60 -16.050 18.575 4.269 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.824 17.450 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.269 16.027 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.853 15.314 3.180 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.770 17.512 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.158 15.744 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.940 15.435 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.452 14.529 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.368 16.946 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.709 15.778 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.032 17.515 1.238 1.00 0.00 H new ATOM 930 N ASN A 61 -19.955 17.064 3.698 1.00 0.00 N ATOM 931 CA ASN A 61 -21.214 16.680 4.326 1.00 0.00 C ATOM 932 C ASN A 61 -21.652 15.294 3.864 1.00 0.00 C ATOM 933 O ASN A 61 -21.530 14.953 2.688 1.00 0.00 O ATOM 934 CB ASN A 61 -22.303 17.705 4.002 1.00 0.00 C ATOM 935 CG ASN A 61 -23.693 17.099 4.024 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.958 16.153 4.766 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.588 17.643 3.208 1.00 0.00 N ATOM 0 H ASN A 61 -20.056 17.493 2.778 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.059 16.652 5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.255 18.522 4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.113 18.135 3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.540 17.278 3.179 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.324 18.426 2.610 1.00 0.00 H new ATOM 944 N GLU A 62 -22.164 14.499 4.799 1.00 0.00 N ATOM 945 CA GLU A 62 -22.620 13.149 4.487 1.00 0.00 C ATOM 946 C GLU A 62 -23.314 13.110 3.129 1.00 0.00 C ATOM 947 O GLU A 62 -22.904 12.372 2.232 1.00 0.00 O ATOM 948 CB GLU A 62 -23.573 12.645 5.573 1.00 0.00 C ATOM 949 CG GLU A 62 -22.967 12.656 6.967 1.00 0.00 C ATOM 950 CD GLU A 62 -23.536 11.569 7.858 1.00 0.00 C ATOM 951 OE1 GLU A 62 -24.665 11.109 7.586 1.00 0.00 O ATOM 952 OE2 GLU A 62 -22.852 11.177 8.827 1.00 0.00 O ATOM 0 H GLU A 62 -22.273 14.766 5.777 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.747 12.498 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -24.471 13.262 5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.884 11.629 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.887 12.530 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.143 13.628 7.428 1.00 0.00 H new ATOM 959 N ASP A 63 -24.366 13.907 2.985 1.00 0.00 N ATOM 960 CA ASP A 63 -25.117 13.964 1.736 1.00 0.00 C ATOM 961 C ASP A 63 -24.249 14.503 0.604 1.00 0.00 C ATOM 962 O ASP A 63 -24.497 14.223 -0.569 1.00 0.00 O ATOM 963 CB ASP A 63 -26.360 14.841 1.903 1.00 0.00 C ATOM 964 CG ASP A 63 -27.577 14.045 2.331 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.482 13.309 3.336 1.00 0.00 O ATOM 966 OD2 ASP A 63 -28.625 14.158 1.662 1.00 0.00 O ATOM 0 H ASP A 63 -24.719 14.523 3.718 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.427 12.951 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.158 15.616 2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -26.573 15.347 0.961 1.00 0.00 H new ATOM 971 N ASP A 64 -23.230 15.276 0.963 1.00 0.00 N ATOM 972 CA ASP A 64 -22.324 15.854 -0.023 1.00 0.00 C ATOM 973 C ASP A 64 -21.306 14.821 -0.497 1.00 0.00 C ATOM 974 O ASP A 64 -20.115 15.111 -0.600 1.00 0.00 O ATOM 975 CB ASP A 64 -21.602 17.067 0.565 1.00 0.00 C ATOM 976 CG ASP A 64 -22.503 18.281 0.673 1.00 0.00 C ATOM 977 OD1 ASP A 64 -23.702 18.106 0.977 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.010 19.407 0.454 1.00 0.00 O ATOM 0 H ASP A 64 -23.011 15.517 1.930 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.916 16.174 -0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.218 16.814 1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -20.742 17.311 -0.058 1.00 0.00 H new ATOM 983 N ALA A 65 -21.785 13.614 -0.783 1.00 0.00 N ATOM 984 CA ALA A 65 -20.917 12.539 -1.246 1.00 0.00 C ATOM 985 C ALA A 65 -20.265 12.894 -2.578 1.00 0.00 C ATOM 986 O ALA A 65 -19.040 12.894 -2.702 1.00 0.00 O ATOM 987 CB ALA A 65 -21.704 11.242 -1.371 1.00 0.00 C ATOM 0 H ALA A 65 -22.769 13.357 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.126 12.402 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.043 10.447 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.117 10.972 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.516 11.376 -2.086 1.00 0.00 H new ATOM 993 N VAL A 66 -21.092 13.197 -3.574 1.00 0.00 N ATOM 994 CA VAL A 66 -20.596 13.555 -4.898 1.00 0.00 C ATOM 995 C VAL A 66 -19.485 14.595 -4.805 1.00 0.00 C ATOM 996 O VAL A 66 -18.437 14.455 -5.436 1.00 0.00 O ATOM 997 CB VAL A 66 -21.725 14.105 -5.790 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.173 14.551 -7.135 1.00 0.00 C ATOM 999 CG2 VAL A 66 -22.816 13.060 -5.973 1.00 0.00 C ATOM 0 H VAL A 66 -22.108 13.202 -3.489 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.200 12.643 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.163 14.973 -5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -21.985 14.937 -7.752 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.430 15.334 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.708 13.703 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.606 13.465 -6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.394 12.172 -6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.231 12.793 -5.001 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.721 15.637 -4.015 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.739 16.701 -3.841 1.00 0.00 C ATOM 1011 C GLU A 67 -17.482 16.174 -3.153 1.00 0.00 C ATOM 1012 O GLU A 67 -16.364 16.445 -3.588 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.337 17.849 -3.025 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.210 18.786 -3.843 1.00 0.00 C ATOM 1015 CD GLU A 67 -19.412 19.882 -4.522 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -19.178 20.929 -3.882 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -19.022 19.693 -5.693 1.00 0.00 O ATOM 0 H GLU A 67 -20.583 15.767 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.464 17.072 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.929 17.434 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.528 18.422 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.746 18.211 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.960 19.237 -3.194 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.677 15.420 -2.076 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.560 14.856 -1.326 1.00 0.00 C ATOM 1026 C ASN A 68 -15.686 13.986 -2.225 1.00 0.00 C ATOM 1027 O ASN A 68 -14.493 14.242 -2.382 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.076 14.031 -0.146 1.00 0.00 C ATOM 1029 CG ASN A 68 -17.958 14.841 0.784 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -17.985 16.070 0.718 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -18.685 14.154 1.658 1.00 0.00 N ATOM 0 H ASN A 68 -18.597 15.185 -1.703 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.955 15.680 -0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -17.638 13.176 -0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.229 13.634 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.297 14.645 2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.631 13.136 1.677 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.289 12.959 -2.813 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.566 12.051 -3.697 1.00 0.00 C ATOM 1040 C ASN A 69 -14.773 12.828 -4.743 1.00 0.00 C ATOM 1041 O ASN A 69 -13.551 12.711 -4.822 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.540 11.093 -4.386 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.077 10.036 -3.440 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.344 9.497 -2.611 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.365 9.735 -3.560 1.00 0.00 N ATOM 0 H ASN A 69 -17.277 12.734 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.867 11.474 -3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.372 11.662 -4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.037 10.607 -5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.783 9.032 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -18.936 10.207 -4.261 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.478 13.620 -5.544 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.840 14.416 -6.586 1.00 0.00 C ATOM 1054 C GLN A 70 -13.595 15.115 -6.051 1.00 0.00 C ATOM 1055 O GLN A 70 -12.548 15.125 -6.700 1.00 0.00 O ATOM 1056 CB GLN A 70 -15.821 15.450 -7.141 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.564 15.814 -8.594 1.00 0.00 C ATOM 1058 CD GLN A 70 -14.091 16.015 -8.893 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -13.448 16.904 -8.335 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -13.549 15.187 -9.778 1.00 0.00 N ATOM 0 H GLN A 70 -16.491 13.728 -5.492 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.540 13.743 -7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.836 15.063 -7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.766 16.353 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.957 15.027 -9.237 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.108 16.726 -8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.120 14.464 -10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.562 15.274 -10.020 1.00 0.00 H new ATOM 1069 N LEU A 71 -13.715 15.700 -4.864 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.598 16.402 -4.241 1.00 0.00 C ATOM 1071 C LEU A 71 -11.407 15.469 -4.048 1.00 0.00 C ATOM 1072 O LEU A 71 -10.370 15.630 -4.691 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.026 16.987 -2.893 1.00 0.00 C ATOM 1074 CG LEU A 71 -11.920 17.636 -2.061 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.368 18.862 -2.772 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.439 18.006 -0.680 1.00 0.00 C ATOM 0 H LEU A 71 -14.574 15.702 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.296 17.213 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.802 17.731 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.478 16.191 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.111 16.916 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.582 19.311 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.958 18.568 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.168 19.586 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.638 18.467 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.266 18.709 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.785 17.108 -0.169 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.564 14.493 -3.160 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.504 13.532 -2.886 1.00 0.00 C ATOM 1090 C ALA A 72 -9.798 13.112 -4.171 1.00 0.00 C ATOM 1091 O ALA A 72 -8.583 12.910 -4.186 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.067 12.314 -2.169 1.00 0.00 C ATOM 0 H ALA A 72 -12.416 14.347 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.770 14.013 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.263 11.605 -1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.519 12.623 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.823 11.840 -2.795 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.566 12.981 -5.247 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.014 12.583 -6.536 1.00 0.00 C ATOM 1100 C PHE A 73 -9.189 13.712 -7.146 1.00 0.00 C ATOM 1101 O PHE A 73 -8.025 13.523 -7.501 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.138 12.183 -7.494 1.00 0.00 C ATOM 1103 CG PHE A 73 -11.938 11.003 -7.021 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.313 9.919 -6.426 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.315 10.977 -7.172 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.045 8.832 -5.988 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.053 9.893 -6.736 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.418 8.818 -6.145 1.00 0.00 C ATOM 0 H PHE A 73 -11.573 13.145 -5.252 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.361 11.725 -6.374 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.806 13.033 -7.632 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.709 11.953 -8.469 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.240 9.924 -6.303 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.817 11.813 -7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.545 7.995 -5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.126 9.886 -6.857 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.993 7.969 -5.806 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.800 14.885 -7.266 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.122 16.046 -7.833 1.00 0.00 C ATOM 1120 C ASP A 74 -7.776 16.275 -7.153 1.00 0.00 C ATOM 1121 O ASP A 74 -6.767 16.517 -7.816 1.00 0.00 O ATOM 1122 CB ASP A 74 -9.997 17.293 -7.692 1.00 0.00 C ATOM 1123 CG ASP A 74 -10.922 17.487 -8.878 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -11.155 16.507 -9.616 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -11.413 18.620 -9.067 1.00 0.00 O ATOM 0 H ASP A 74 -10.763 15.058 -6.979 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.946 15.852 -8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.590 17.216 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.360 18.171 -7.584 1.00 0.00 H new ATOM 1130 N VAL A 75 -7.768 16.198 -5.826 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.546 16.397 -5.056 1.00 0.00 C ATOM 1132 C VAL A 75 -5.519 15.313 -5.365 1.00 0.00 C ATOM 1133 O VAL A 75 -4.316 15.570 -5.378 1.00 0.00 O ATOM 1134 CB VAL A 75 -6.831 16.401 -3.542 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -5.531 16.401 -2.753 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -7.692 17.597 -3.166 1.00 0.00 C ATOM 0 H VAL A 75 -8.594 15.999 -5.262 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.144 17.368 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.380 15.493 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.753 16.404 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.955 15.510 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.952 17.289 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.884 17.584 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.172 18.517 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.639 17.548 -3.704 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.003 14.101 -5.615 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.128 12.979 -5.927 1.00 0.00 C ATOM 1148 C ALA A 76 -4.406 13.197 -7.253 1.00 0.00 C ATOM 1149 O ALA A 76 -3.261 12.780 -7.422 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.924 11.683 -5.965 1.00 0.00 C ATOM 0 H ALA A 76 -6.997 13.871 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.376 12.908 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.257 10.853 -6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.388 11.512 -4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.698 11.754 -6.729 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.084 13.854 -8.189 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.507 14.125 -9.500 1.00 0.00 C ATOM 1158 C GLU A 77 -3.771 15.462 -9.504 1.00 0.00 C ATOM 1159 O GLU A 77 -3.030 15.772 -10.437 1.00 0.00 O ATOM 1160 CB GLU A 77 -5.599 14.129 -10.572 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.110 13.688 -11.941 1.00 0.00 C ATOM 1162 CD GLU A 77 -4.271 14.747 -12.630 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -4.755 15.889 -12.772 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -3.129 14.433 -13.027 1.00 0.00 O ATOM 0 H GLU A 77 -6.032 14.208 -8.064 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.791 13.334 -9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.409 13.472 -10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.016 15.133 -10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.523 12.776 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.968 13.445 -12.568 1.00 0.00 H new ATOM 1171 N ARG A 78 -3.980 16.249 -8.454 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.338 17.553 -8.336 1.00 0.00 C ATOM 1173 C ARG A 78 -2.048 17.453 -7.528 1.00 0.00 C ATOM 1174 O ARG A 78 -1.070 18.144 -7.814 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.288 18.555 -7.677 1.00 0.00 C ATOM 1176 CG ARG A 78 -3.620 19.864 -7.291 1.00 0.00 C ATOM 1177 CD ARG A 78 -4.404 20.593 -6.212 1.00 0.00 C ATOM 1178 NE ARG A 78 -4.081 22.017 -6.167 1.00 0.00 N ATOM 1179 CZ ARG A 78 -4.840 22.925 -5.564 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -5.961 22.559 -4.958 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -4.478 24.201 -5.565 1.00 0.00 N ATOM 0 H ARG A 78 -4.589 16.007 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.092 17.901 -9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.112 18.765 -8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.720 18.101 -6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.608 19.667 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.531 20.501 -8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.472 20.469 -6.394 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.191 20.142 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.225 22.331 -6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.242 21.578 -4.954 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.542 23.258 -4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.616 24.486 -6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.062 24.897 -5.102 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.053 16.588 -6.519 1.00 0.00 N ATOM 1196 CA GLU A 79 -0.882 16.398 -5.670 1.00 0.00 C ATOM 1197 C GLU A 79 -0.124 15.134 -6.062 1.00 0.00 C ATOM 1198 O GLU A 79 1.073 15.177 -6.345 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.299 16.321 -4.199 1.00 0.00 C ATOM 1200 CG GLU A 79 -1.394 17.678 -3.522 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.073 18.128 -2.929 1.00 0.00 C ATOM 1202 OE1 GLU A 79 0.972 17.910 -3.577 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.084 18.698 -1.818 1.00 0.00 O ATOM 0 H GLU A 79 -2.854 16.008 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.221 17.254 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.265 15.821 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.581 15.704 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.734 18.418 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.146 17.635 -2.734 1.00 0.00 H new ATOM 1210 N PHE A 80 -0.830 14.008 -6.077 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.224 12.730 -6.432 1.00 0.00 C ATOM 1212 C PHE A 80 -0.211 12.537 -7.946 1.00 0.00 C ATOM 1213 O PHE A 80 0.597 11.779 -8.479 1.00 0.00 O ATOM 1214 CB PHE A 80 -0.982 11.579 -5.767 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.371 11.861 -4.344 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.443 12.363 -3.445 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.664 11.625 -3.905 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.798 12.622 -2.135 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -3.025 11.883 -2.596 1.00 0.00 C ATOM 1220 CZ PHE A 80 -2.091 12.383 -1.710 1.00 0.00 C ATOM 0 H PHE A 80 -1.822 13.955 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 80 0.805 12.733 -6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.881 11.364 -6.345 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.363 10.682 -5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.568 12.554 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.398 11.235 -4.594 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.065 13.011 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.036 11.694 -2.267 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.371 12.587 -0.687 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.114 13.230 -8.633 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.191 13.122 -10.078 1.00 0.00 C ATOM 1232 C GLY A 81 -1.691 11.765 -10.532 1.00 0.00 C ATOM 1233 O GLY A 81 -1.260 11.250 -11.564 1.00 0.00 O ATOM 0 H GLY A 81 -1.794 13.865 -8.214 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.854 13.897 -10.462 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.205 13.304 -10.506 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.601 11.183 -9.758 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.160 9.877 -10.087 1.00 0.00 C ATOM 1239 C ILE A 82 -4.558 10.010 -10.680 1.00 0.00 C ATOM 1240 O ILE A 82 -5.451 10.626 -10.097 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.225 8.965 -8.847 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.823 8.742 -8.277 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.876 7.636 -9.201 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.821 8.053 -6.930 1.00 0.00 C ATOM 0 H ILE A 82 -2.967 11.595 -8.899 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.497 9.427 -10.826 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.833 9.454 -8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.244 8.146 -8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.320 9.704 -8.185 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.915 7.002 -8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.888 7.812 -9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.292 7.140 -9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.794 7.928 -6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.373 8.659 -6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.295 7.076 -7.021 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.757 9.418 -11.867 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.045 9.455 -12.564 1.00 0.00 C ATOM 1258 C PRO A 83 -7.109 8.620 -11.860 1.00 0.00 C ATOM 1259 O PRO A 83 -6.875 7.479 -11.461 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.722 8.861 -13.938 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.532 7.996 -13.706 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.738 8.667 -12.619 1.00 0.00 C ATOM 0 HA PRO A 83 -6.457 10.463 -12.606 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.561 8.284 -14.327 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.507 9.643 -14.667 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.832 6.992 -13.407 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.940 7.894 -14.616 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.227 7.940 -11.988 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.973 9.327 -13.029 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.309 9.200 -11.702 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.434 8.526 -11.047 1.00 0.00 C ATOM 1272 C PRO A 84 -9.989 7.378 -11.882 1.00 0.00 C ATOM 1273 O PRO A 84 -9.832 7.353 -13.103 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.477 9.636 -10.903 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.154 10.603 -11.989 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.660 10.557 -12.153 1.00 0.00 C ATOM 0 HA PRO A 84 -9.141 8.072 -10.100 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.489 9.245 -11.009 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.420 10.108 -9.922 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.657 10.330 -12.917 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.487 11.608 -11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.364 10.725 -13.188 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.166 11.321 -11.552 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.638 6.428 -11.217 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.218 5.277 -11.899 1.00 0.00 C ATOM 1286 C VAL A 85 -12.711 5.475 -12.139 1.00 0.00 C ATOM 1287 O VAL A 85 -13.259 5.005 -13.137 1.00 0.00 O ATOM 1288 CB VAL A 85 -11.007 3.981 -11.093 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.537 3.589 -11.090 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.526 4.147 -9.673 1.00 0.00 C ATOM 0 H VAL A 85 -10.776 6.433 -10.206 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.707 5.187 -12.858 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.572 3.180 -11.570 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.406 2.672 -10.516 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.201 3.427 -12.114 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.949 4.387 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.369 3.222 -9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.991 4.960 -9.183 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.591 4.378 -9.700 1.00 0.00 H new ATOM 1300 N THR A 86 -13.365 6.175 -11.217 1.00 0.00 N ATOM 1301 CA THR A 86 -14.795 6.436 -11.327 1.00 0.00 C ATOM 1302 C THR A 86 -15.115 7.890 -11.001 1.00 0.00 C ATOM 1303 O THR A 86 -14.312 8.591 -10.386 1.00 0.00 O ATOM 1304 CB THR A 86 -15.606 5.520 -10.391 1.00 0.00 C ATOM 1305 OG1 THR A 86 -17.003 5.811 -10.512 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.169 5.701 -8.945 1.00 0.00 C ATOM 0 H THR A 86 -12.927 6.571 -10.386 1.00 0.00 H new ATOM 0 HA THR A 86 -15.076 6.228 -12.359 1.00 0.00 H new ATOM 0 HB THR A 86 -15.423 4.486 -10.682 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.512 5.224 -9.915 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.756 5.044 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.112 5.452 -8.850 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.326 6.737 -8.644 1.00 0.00 H new ATOM 1314 N THR A 87 -16.296 8.338 -11.416 1.00 0.00 N ATOM 1315 CA THR A 87 -16.723 9.709 -11.168 1.00 0.00 C ATOM 1316 C THR A 87 -17.520 9.812 -9.873 1.00 0.00 C ATOM 1317 O THR A 87 -18.377 8.975 -9.592 1.00 0.00 O ATOM 1318 CB THR A 87 -17.580 10.249 -12.329 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.761 9.452 -12.478 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.793 10.246 -13.630 1.00 0.00 C ATOM 0 H THR A 87 -16.974 7.771 -11.925 1.00 0.00 H new ATOM 0 HA THR A 87 -15.818 10.311 -11.083 1.00 0.00 H new ATOM 0 HB THR A 87 -17.862 11.276 -12.096 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.301 9.802 -13.217 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.419 10.631 -14.435 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.911 10.877 -13.523 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.485 9.228 -13.866 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.231 10.844 -9.086 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.930 11.036 -7.829 1.00 0.00 C ATOM 1330 C GLY A 88 -19.402 10.686 -7.924 1.00 0.00 C ATOM 1331 O GLY A 88 -19.932 9.964 -7.079 1.00 0.00 O ATOM 0 H GLY A 88 -16.526 11.550 -9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.463 10.421 -7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.826 12.074 -7.514 1.00 0.00 H new ATOM 1335 N LYS A 89 -20.065 11.199 -8.955 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.484 10.937 -9.159 1.00 0.00 C ATOM 1337 C LYS A 89 -21.769 9.438 -9.148 1.00 0.00 C ATOM 1338 O LYS A 89 -22.554 8.953 -8.335 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.951 11.546 -10.483 1.00 0.00 C ATOM 1340 CG LYS A 89 -22.159 13.049 -10.422 1.00 0.00 C ATOM 1341 CD LYS A 89 -23.197 13.511 -11.430 1.00 0.00 C ATOM 1342 CE LYS A 89 -24.611 13.315 -10.904 1.00 0.00 C ATOM 1343 NZ LYS A 89 -25.019 14.417 -9.989 1.00 0.00 N ATOM 0 H LYS A 89 -19.641 11.799 -9.663 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.034 11.399 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.216 11.321 -11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.885 11.070 -10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.474 13.333 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.213 13.556 -10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.037 14.564 -11.662 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.074 12.957 -12.361 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -25.306 13.262 -11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -24.674 12.363 -10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -25.988 14.247 -9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.371 14.452 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.984 15.323 -10.499 1.00 0.00 H new ATOM 1357 N GLU A 90 -21.123 8.712 -10.055 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.307 7.268 -10.148 1.00 0.00 C ATOM 1359 C GLU A 90 -20.930 6.586 -8.836 1.00 0.00 C ATOM 1360 O GLU A 90 -21.630 5.689 -8.368 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.467 6.697 -11.292 1.00 0.00 C ATOM 1362 CG GLU A 90 -21.093 6.892 -12.663 1.00 0.00 C ATOM 1363 CD GLU A 90 -20.311 6.203 -13.765 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -20.447 4.970 -13.907 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -19.564 6.898 -14.485 1.00 0.00 O ATOM 0 H GLU A 90 -20.469 9.099 -10.735 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.361 7.074 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.484 7.168 -11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -20.312 5.632 -11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -22.113 6.507 -12.651 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.158 7.958 -12.880 1.00 0.00 H new ATOM 1372 N MET A 91 -19.819 7.018 -8.249 1.00 0.00 N ATOM 1373 CA MET A 91 -19.348 6.450 -6.991 1.00 0.00 C ATOM 1374 C MET A 91 -20.489 6.337 -5.986 1.00 0.00 C ATOM 1375 O MET A 91 -20.641 5.315 -5.317 1.00 0.00 O ATOM 1376 CB MET A 91 -18.223 7.307 -6.409 1.00 0.00 C ATOM 1377 CG MET A 91 -17.397 6.591 -5.353 1.00 0.00 C ATOM 1378 SD MET A 91 -16.702 5.038 -5.951 1.00 0.00 S ATOM 1379 CE MET A 91 -17.400 3.880 -4.775 1.00 0.00 C ATOM 0 H MET A 91 -19.228 7.760 -8.624 1.00 0.00 H new ATOM 0 HA MET A 91 -18.965 5.450 -7.193 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.566 7.627 -7.218 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.653 8.209 -5.972 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.588 7.244 -5.025 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.021 6.394 -4.481 1.00 0.00 H new ATOM 0 HE1 MET A 91 -17.353 2.871 -5.186 1.00 0.00 H new ATOM 0 HE2 MET A 91 -16.833 3.920 -3.845 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.439 4.144 -4.578 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.290 7.393 -5.884 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.418 7.411 -4.961 1.00 0.00 C ATOM 1391 C ALA A 92 -23.633 6.715 -5.566 1.00 0.00 C ATOM 1392 O ALA A 92 -24.375 6.024 -4.868 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.764 8.842 -4.578 1.00 0.00 C ATOM 0 H ALA A 92 -21.178 8.247 -6.430 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.129 6.866 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.608 8.840 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.904 9.308 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.028 9.405 -5.473 1.00 0.00 H new ATOM 1399 N SER A 93 -23.830 6.902 -6.867 1.00 0.00 N ATOM 1400 CA SER A 93 -24.958 6.296 -7.564 1.00 0.00 C ATOM 1401 C SER A 93 -24.890 4.774 -7.486 1.00 0.00 C ATOM 1402 O SER A 93 -25.770 4.131 -6.915 1.00 0.00 O ATOM 1403 CB SER A 93 -24.980 6.742 -9.027 1.00 0.00 C ATOM 1404 OG SER A 93 -26.300 6.737 -9.542 1.00 0.00 O ATOM 0 H SER A 93 -23.223 7.468 -7.460 1.00 0.00 H new ATOM 0 HA SER A 93 -25.875 6.627 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 93 -24.557 7.743 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 93 -24.352 6.079 -9.622 1.00 0.00 H new ATOM 0 HG SER A 93 -26.287 7.027 -10.478 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.838 4.204 -8.065 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.653 2.758 -8.059 1.00 0.00 C ATOM 1412 C ALA A 94 -23.779 2.194 -6.648 1.00 0.00 C ATOM 1413 O ALA A 94 -22.957 2.484 -5.779 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.300 2.397 -8.655 1.00 0.00 C ATOM 0 H ALA A 94 -23.101 4.722 -8.544 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.438 2.313 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.175 1.314 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.247 2.758 -9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.508 2.860 -8.066 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.812 1.388 -6.428 1.00 0.00 N ATOM 1421 CA GLN A 95 -25.046 0.785 -5.122 1.00 0.00 C ATOM 1422 C GLN A 95 -23.889 -0.128 -4.729 1.00 0.00 C ATOM 1423 O GLN A 95 -23.411 -0.087 -3.596 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.356 -0.005 -5.128 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.387 -1.124 -6.157 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.792 -1.615 -6.443 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.410 -1.222 -7.433 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -28.306 -2.479 -5.575 1.00 0.00 N ATOM 0 H GLN A 95 -25.500 1.137 -7.138 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.118 1.587 -4.387 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.519 -0.429 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -27.182 0.679 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -25.933 -0.773 -7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -25.781 -1.957 -5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -27.759 -2.778 -4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -29.248 -2.844 -5.715 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.445 -0.952 -5.674 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.345 -1.876 -5.425 1.00 0.00 C ATOM 1439 C GLU A 96 -21.264 -1.736 -6.494 1.00 0.00 C ATOM 1440 O GLU A 96 -21.347 -2.316 -7.576 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.858 -3.317 -5.389 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.994 -4.250 -4.558 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.214 -5.711 -4.902 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.305 -6.028 -6.107 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -22.296 -6.535 -3.968 1.00 0.00 O ATOM 0 H GLU A 96 -23.830 -0.998 -6.617 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.909 -1.629 -4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.872 -3.323 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.914 -3.699 -6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.944 -3.999 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.209 -4.093 -3.501 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.225 -0.946 -6.184 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.109 -0.710 -7.104 1.00 0.00 C ATOM 1454 C PRO A 97 -18.238 -1.949 -7.288 1.00 0.00 C ATOM 1455 O PRO A 97 -18.465 -2.978 -6.653 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.314 0.405 -6.419 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.641 0.268 -4.971 1.00 0.00 C ATOM 1458 CD PRO A 97 -20.061 -0.223 -4.912 1.00 0.00 C ATOM 0 HA PRO A 97 -19.454 -0.453 -8.106 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.244 0.294 -6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.600 1.386 -6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.965 -0.434 -4.483 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.536 1.223 -4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.225 -0.876 -4.055 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.768 0.602 -4.825 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.242 -1.841 -8.160 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.336 -2.953 -8.427 1.00 0.00 C ATOM 1468 C ASP A 98 -15.305 -3.093 -7.311 1.00 0.00 C ATOM 1469 O ASP A 98 -14.389 -2.279 -7.191 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.630 -2.752 -9.769 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.544 -3.013 -10.949 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -17.384 -2.140 -11.255 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -16.420 -4.091 -11.568 1.00 0.00 O ATOM 0 H ASP A 98 -17.041 -0.996 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 98 -16.926 -3.869 -8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.249 -1.732 -9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.769 -3.417 -9.826 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.461 -4.130 -6.496 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.545 -4.379 -5.389 1.00 0.00 C ATOM 1480 C LYS A 99 -13.095 -4.299 -5.855 1.00 0.00 C ATOM 1481 O LYS A 99 -12.293 -3.548 -5.298 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.818 -5.753 -4.772 1.00 0.00 C ATOM 1483 CG LYS A 99 -13.789 -6.170 -3.736 1.00 0.00 C ATOM 1484 CD LYS A 99 -12.621 -6.903 -4.374 1.00 0.00 C ATOM 1485 CE LYS A 99 -11.822 -7.683 -3.341 1.00 0.00 C ATOM 1486 NZ LYS A 99 -10.615 -8.319 -3.939 1.00 0.00 N ATOM 0 H LYS A 99 -16.214 -4.813 -6.581 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.710 -3.610 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.805 -5.744 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.845 -6.499 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.423 -5.288 -3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -14.260 -6.812 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.992 -7.585 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.970 -6.186 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.519 -7.014 -2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.455 -8.451 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.097 -8.841 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.905 -8.976 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.998 -7.584 -4.341 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.764 -5.076 -6.881 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.410 -5.091 -7.424 1.00 0.00 C ATOM 1502 C LEU A 100 -10.943 -3.679 -7.763 1.00 0.00 C ATOM 1503 O LEU A 100 -9.927 -3.210 -7.248 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.349 -5.974 -8.671 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.018 -7.448 -8.435 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.644 -7.591 -7.800 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -12.081 -8.101 -7.564 1.00 0.00 C ATOM 0 H LEU A 100 -13.415 -5.704 -7.353 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.745 -5.501 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.311 -5.916 -9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.603 -5.559 -9.349 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.005 -7.956 -9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.425 -8.647 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.891 -7.161 -8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.629 -7.068 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.829 -9.150 -7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.127 -7.591 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.050 -8.031 -8.058 1.00 0.00 H new ATOM 1519 N SER A 101 -11.692 -3.006 -8.630 1.00 0.00 N ATOM 1520 CA SER A 101 -11.354 -1.647 -9.039 1.00 0.00 C ATOM 1521 C SER A 101 -11.057 -0.773 -7.824 1.00 0.00 C ATOM 1522 O SER A 101 -10.216 0.124 -7.882 1.00 0.00 O ATOM 1523 CB SER A 101 -12.496 -1.038 -9.854 1.00 0.00 C ATOM 1524 OG SER A 101 -12.861 -1.884 -10.931 1.00 0.00 O ATOM 0 H SER A 101 -12.537 -3.379 -9.063 1.00 0.00 H new ATOM 0 HA SER A 101 -10.459 -1.692 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.359 -0.872 -9.209 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.193 -0.064 -10.239 1.00 0.00 H new ATOM 0 HG SER A 101 -13.594 -1.473 -11.436 1.00 0.00 H new ATOM 1530 N MET A 102 -11.755 -1.040 -6.726 1.00 0.00 N ATOM 1531 CA MET A 102 -11.567 -0.278 -5.496 1.00 0.00 C ATOM 1532 C MET A 102 -10.263 -0.671 -4.808 1.00 0.00 C ATOM 1533 O MET A 102 -9.465 0.188 -4.433 1.00 0.00 O ATOM 1534 CB MET A 102 -12.745 -0.502 -4.547 1.00 0.00 C ATOM 1535 CG MET A 102 -13.915 0.435 -4.800 1.00 0.00 C ATOM 1536 SD MET A 102 -13.452 2.173 -4.678 1.00 0.00 S ATOM 1537 CE MET A 102 -12.502 2.166 -3.160 1.00 0.00 C ATOM 0 H MET A 102 -12.456 -1.778 -6.662 1.00 0.00 H new ATOM 0 HA MET A 102 -11.516 0.779 -5.757 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.088 -1.532 -4.643 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.403 -0.374 -3.520 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.323 0.241 -5.792 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.707 0.223 -4.082 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.327 3.192 -2.835 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.054 1.630 -2.388 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.546 1.672 -3.331 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.053 -1.973 -4.646 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.846 -2.479 -4.004 1.00 0.00 C ATOM 1549 C VAL A 103 -7.597 -2.049 -4.766 1.00 0.00 C ATOM 1550 O VAL A 103 -6.582 -1.697 -4.165 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.867 -4.015 -3.900 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.540 -4.533 -3.366 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -10.020 -4.473 -3.019 1.00 0.00 C ATOM 0 H VAL A 103 -10.704 -2.697 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.820 -2.055 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.015 -4.427 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.574 -5.620 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.736 -4.236 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.358 -4.115 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.020 -5.561 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.904 -4.052 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.963 -4.134 -3.448 1.00 0.00 H new ATOM 1563 N MET A 104 -7.680 -2.080 -6.092 1.00 0.00 N ATOM 1564 CA MET A 104 -6.556 -1.692 -6.936 1.00 0.00 C ATOM 1565 C MET A 104 -6.321 -0.186 -6.870 1.00 0.00 C ATOM 1566 O MET A 104 -5.183 0.270 -6.756 1.00 0.00 O ATOM 1567 CB MET A 104 -6.808 -2.117 -8.384 1.00 0.00 C ATOM 1568 CG MET A 104 -7.895 -1.310 -9.075 1.00 0.00 C ATOM 1569 SD MET A 104 -8.132 -1.794 -10.795 1.00 0.00 S ATOM 1570 CE MET A 104 -6.903 -0.774 -11.606 1.00 0.00 C ATOM 0 H MET A 104 -8.513 -2.369 -6.605 1.00 0.00 H new ATOM 0 HA MET A 104 -5.664 -2.198 -6.566 1.00 0.00 H new ATOM 0 HB2 MET A 104 -5.881 -2.020 -8.949 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.083 -3.172 -8.402 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.833 -1.434 -8.534 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.639 -0.251 -9.031 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.927 -0.960 -12.680 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.119 0.277 -11.415 1.00 0.00 H new ATOM 0 HE3 MET A 104 -5.914 -1.017 -11.217 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.403 0.581 -6.943 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.314 2.035 -6.894 1.00 0.00 C ATOM 1582 C TYR A 105 -6.726 2.501 -5.565 1.00 0.00 C ATOM 1583 O TYR A 105 -5.861 3.377 -5.528 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.696 2.659 -7.099 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.700 4.167 -6.998 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.221 4.954 -8.038 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -9.183 4.806 -5.862 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -8.222 6.333 -7.949 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -9.189 6.184 -5.766 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.708 6.943 -6.812 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.711 8.316 -6.719 1.00 0.00 O ATOM 0 H TYR A 105 -8.352 0.220 -7.036 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.653 2.360 -7.697 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.075 2.368 -8.079 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.383 2.252 -6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.841 4.480 -8.931 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.560 4.215 -5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.844 6.930 -8.766 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.568 6.664 -4.876 1.00 0.00 H new ATOM 0 HH TYR A 105 -9.592 8.621 -6.416 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.201 1.908 -4.476 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.723 2.259 -3.143 1.00 0.00 C ATOM 1603 C LEU A 106 -5.234 1.959 -3.002 1.00 0.00 C ATOM 1604 O LEU A 106 -4.471 2.781 -2.493 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.512 1.495 -2.078 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.011 1.793 -2.011 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.758 0.629 -1.380 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.265 3.076 -1.234 1.00 0.00 C ATOM 0 H LEU A 106 -7.917 1.182 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.875 3.329 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.382 0.427 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.074 1.713 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.381 1.928 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.823 0.859 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.602 -0.270 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.385 0.462 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.336 3.273 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.880 2.970 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.761 3.907 -1.728 1.00 0.00 H new ATOM 1620 N SER A 107 -4.828 0.779 -3.457 1.00 0.00 N ATOM 1621 CA SER A 107 -3.430 0.369 -3.380 1.00 0.00 C ATOM 1622 C SER A 107 -2.504 1.539 -3.699 1.00 0.00 C ATOM 1623 O SER A 107 -1.485 1.737 -3.037 1.00 0.00 O ATOM 1624 CB SER A 107 -3.162 -0.787 -4.345 1.00 0.00 C ATOM 1625 OG SER A 107 -1.788 -1.134 -4.355 1.00 0.00 O ATOM 0 H SER A 107 -5.447 0.089 -3.883 1.00 0.00 H new ATOM 0 HA SER A 107 -3.229 0.036 -2.362 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.757 -1.653 -4.055 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.477 -0.506 -5.350 1.00 0.00 H new ATOM 0 HG SER A 107 -1.642 -1.876 -4.979 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.865 2.311 -4.718 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.069 3.462 -5.127 1.00 0.00 C ATOM 1633 C LYS A 108 -1.762 4.362 -3.934 1.00 0.00 C ATOM 1634 O LYS A 108 -0.613 4.749 -3.715 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.805 4.260 -6.205 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.957 3.511 -7.518 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.262 4.458 -8.667 1.00 0.00 C ATOM 1638 CE LYS A 108 -3.323 3.720 -9.996 1.00 0.00 C ATOM 1639 NZ LYS A 108 -3.839 4.588 -11.090 1.00 0.00 N ATOM 0 H LYS A 108 -3.705 2.160 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.127 3.095 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.794 4.530 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.267 5.191 -6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.041 2.960 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.757 2.776 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.212 4.960 -8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.497 5.233 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.328 3.360 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.963 2.844 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.913 4.034 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.778 4.953 -10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.187 5.385 -11.238 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.794 4.690 -3.165 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.634 5.544 -1.993 1.00 0.00 C ATOM 1655 C PHE A 109 -1.918 4.799 -0.871 1.00 0.00 C ATOM 1656 O PHE A 109 -1.020 5.340 -0.226 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.998 6.037 -1.505 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.685 6.956 -2.475 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -4.335 8.294 -2.549 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.682 6.480 -3.311 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.965 9.142 -3.440 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.316 7.323 -4.205 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.958 8.656 -4.268 1.00 0.00 C ATOM 0 H PHE A 109 -3.751 4.378 -3.332 1.00 0.00 H new ATOM 0 HA PHE A 109 -2.027 6.403 -2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.640 5.177 -1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.870 6.555 -0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.560 8.679 -1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -5.967 5.439 -3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.681 10.183 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.090 6.940 -4.853 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.454 9.317 -4.964 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.324 3.555 -0.642 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.725 2.735 0.404 1.00 0.00 C ATOM 1675 C TYR A 110 -0.206 2.696 0.263 1.00 0.00 C ATOM 1676 O TYR A 110 0.523 3.062 1.184 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.289 1.314 0.355 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.508 0.323 1.188 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.364 0.499 2.558 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.914 -0.789 0.604 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.650 -0.403 3.323 1.00 0.00 C ATOM 1682 CE2 TYR A 110 -0.201 -1.698 1.362 1.00 0.00 C ATOM 1683 CZ TYR A 110 -0.071 -1.500 2.721 1.00 0.00 C ATOM 1684 OH TYR A 110 0.640 -2.402 3.478 1.00 0.00 O ATOM 0 H TYR A 110 -3.066 3.092 -1.167 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.972 3.183 1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.323 1.330 0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.304 0.974 -0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.818 1.356 3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.011 -0.945 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.546 -0.250 4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.252 -2.559 0.893 1.00 0.00 H new ATOM 0 HH TYR A 110 0.981 -3.117 2.901 1.00 0.00 H new ATOM 1694 N GLU A 111 0.262 2.250 -0.899 1.00 0.00 N ATOM 1695 CA GLU A 111 1.694 2.162 -1.161 1.00 0.00 C ATOM 1696 C GLU A 111 2.350 3.537 -1.063 1.00 0.00 C ATOM 1697 O GLU A 111 3.290 3.735 -0.292 1.00 0.00 O ATOM 1698 CB GLU A 111 1.945 1.563 -2.547 1.00 0.00 C ATOM 1699 CG GLU A 111 1.540 0.103 -2.661 1.00 0.00 C ATOM 1700 CD GLU A 111 1.587 -0.405 -4.088 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.472 0.039 -4.848 1.00 0.00 O ATOM 1702 OE2 GLU A 111 0.737 -1.249 -4.445 1.00 0.00 O ATOM 0 H GLU A 111 -0.329 1.945 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 111 2.137 1.512 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.396 2.143 -3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.004 1.658 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.201 -0.503 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.531 -0.022 -2.268 1.00 0.00 H new ATOM 1709 N LEU A 112 1.849 4.482 -1.850 1.00 0.00 N ATOM 1710 CA LEU A 112 2.386 5.839 -1.854 1.00 0.00 C ATOM 1711 C LEU A 112 2.570 6.355 -0.430 1.00 0.00 C ATOM 1712 O LEU A 112 3.657 6.794 -0.054 1.00 0.00 O ATOM 1713 CB LEU A 112 1.457 6.774 -2.631 1.00 0.00 C ATOM 1714 CG LEU A 112 1.685 8.271 -2.423 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.808 8.770 -3.319 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.404 9.048 -2.688 1.00 0.00 C ATOM 0 H LEU A 112 1.072 4.334 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 112 3.360 5.817 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.560 6.555 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.428 6.542 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 112 1.977 8.433 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.956 9.838 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.728 8.236 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.546 8.594 -4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.585 10.112 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.082 8.879 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.374 8.711 -2.004 1.00 0.00 H new ATOM 1728 N PHE A 113 1.502 6.297 0.358 1.00 0.00 N ATOM 1729 CA PHE A 113 1.546 6.757 1.741 1.00 0.00 C ATOM 1730 C PHE A 113 2.529 5.925 2.560 1.00 0.00 C ATOM 1731 O PHE A 113 3.401 6.466 3.239 1.00 0.00 O ATOM 1732 CB PHE A 113 0.153 6.687 2.369 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.655 7.939 2.179 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.277 9.122 2.793 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.791 7.932 1.387 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -1.019 10.275 2.620 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.537 9.082 1.211 1.00 0.00 C ATOM 1738 CZ PHE A 113 -2.150 10.256 1.827 1.00 0.00 C ATOM 0 H PHE A 113 0.595 5.936 0.063 1.00 0.00 H new ATOM 0 HA PHE A 113 1.885 7.793 1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.389 5.846 1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.254 6.488 3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.607 9.143 3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -2.097 7.017 0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.715 11.191 3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.422 9.063 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.730 11.157 1.689 1.00 0.00 H new ATOM 1748 N ARG A 114 2.380 4.607 2.490 1.00 0.00 N ATOM 1749 CA ARG A 114 3.252 3.699 3.226 1.00 0.00 C ATOM 1750 C ARG A 114 4.720 4.034 2.976 1.00 0.00 C ATOM 1751 O ARG A 114 5.451 4.390 3.899 1.00 0.00 O ATOM 1752 CB ARG A 114 2.973 2.250 2.822 1.00 0.00 C ATOM 1753 CG ARG A 114 3.357 1.236 3.888 1.00 0.00 C ATOM 1754 CD ARG A 114 2.621 -0.080 3.695 1.00 0.00 C ATOM 1755 NE ARG A 114 3.332 -1.200 4.306 1.00 0.00 N ATOM 1756 CZ ARG A 114 3.297 -1.471 5.605 1.00 0.00 C ATOM 1757 NH1 ARG A 114 2.588 -0.709 6.427 1.00 0.00 N ATOM 1758 NH2 ARG A 114 3.971 -2.508 6.086 1.00 0.00 N ATOM 0 H ARG A 114 1.664 4.143 1.931 1.00 0.00 H new ATOM 0 HA ARG A 114 3.045 3.819 4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.912 2.143 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.519 2.026 1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.432 1.061 3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.130 1.640 4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.624 -0.004 4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.492 -0.270 2.630 1.00 0.00 H new ATOM 0 HE ARG A 114 3.886 -1.807 3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.067 0.088 6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 114 2.563 -0.920 7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.517 -3.098 5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.944 -2.715 7.084 1.00 0.00 H new