USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 689 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 15 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= -3.51! C(o=-3.5!,f=-5.4!) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc=-0.00656 USER MOD Set 2.2: A 101 GLN : amide:sc= -0.0633 K(o=-0.07,f=0.5) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -5.91! C(o=-5.9!,f=-4!) USER MOD Single : A 37 GLN : amide:sc= -3.83! C(o=-3.8!,f=-6.3!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 165:sc= -0.946 USER MOD Single : A 65 THR OG1 : rot 52:sc= 0.0345 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -151:sc= -0.14 USER MOD Single : A 85 THR OG1 : rot -143:sc= 0.534 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 92 CYS SG : rot -137:sc= -2.26! USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.6!) USER MOD Single : A 107 GLN : amide:sc= -1.17 K(o=-1.2,f=-1.8!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -3.083 -2.394 -8.017 1.00 0.00 N ATOM 102 CA TYR A 10 -4.063 -1.330 -8.154 1.00 0.00 C ATOM 103 C TYR A 10 -3.401 0.044 -8.030 1.00 0.00 C ATOM 104 O TYR A 10 -2.226 0.142 -7.681 1.00 0.00 O ATOM 105 CB TYR A 10 -5.048 -1.513 -6.998 1.00 0.00 C ATOM 106 CG TYR A 10 -6.212 -0.520 -7.009 1.00 0.00 C ATOM 107 CD1 TYR A 10 -7.191 -0.615 -7.977 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.283 0.471 -6.050 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.287 0.320 -7.987 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.378 1.405 -6.061 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.326 1.284 -7.028 1.00 0.00 C ATOM 112 OH TYR A 10 -9.360 2.167 -7.038 1.00 0.00 O ATOM 0 HA TYR A 10 -4.548 -1.378 -9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.448 -2.526 -7.032 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.509 -1.415 -6.056 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.136 -1.390 -8.727 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.517 0.545 -5.292 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.060 0.257 -8.739 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.445 2.185 -5.317 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.258 2.798 -6.295 1.00 0.00 H new ATOM 122 N GLU A 11 -4.184 1.072 -8.324 1.00 0.00 N ATOM 123 CA GLU A 11 -3.689 2.436 -8.250 1.00 0.00 C ATOM 124 C GLU A 11 -4.839 3.403 -7.964 1.00 0.00 C ATOM 125 O GLU A 11 -5.993 2.990 -7.864 1.00 0.00 O ATOM 126 CB GLU A 11 -2.953 2.822 -9.535 1.00 0.00 C ATOM 127 CG GLU A 11 -3.875 2.707 -10.750 1.00 0.00 C ATOM 128 CD GLU A 11 -3.068 2.505 -12.034 1.00 0.00 C ATOM 129 OE1 GLU A 11 -1.918 2.995 -12.064 1.00 0.00 O ATOM 130 OE2 GLU A 11 -3.619 1.866 -12.956 1.00 0.00 O ATOM 0 H GLU A 11 -5.158 0.987 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.975 2.499 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.580 3.843 -9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.086 2.176 -9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.561 1.871 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.483 3.608 -10.836 1.00 0.00 H new ATOM 137 N GLY A 12 -4.484 4.674 -7.841 1.00 0.00 N ATOM 138 CA GLY A 12 -5.472 5.704 -7.569 1.00 0.00 C ATOM 139 C GLY A 12 -4.833 6.906 -6.870 1.00 0.00 C ATOM 140 O GLY A 12 -3.725 6.806 -6.345 1.00 0.00 O ATOM 0 H GLY A 12 -3.526 5.014 -7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.934 6.025 -8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.266 5.295 -6.944 1.00 0.00 H new ATOM 144 N ILE A 13 -5.559 8.014 -6.886 1.00 0.00 N ATOM 145 CA ILE A 13 -5.077 9.233 -6.260 1.00 0.00 C ATOM 146 C ILE A 13 -5.055 9.048 -4.742 1.00 0.00 C ATOM 147 O ILE A 13 -5.971 8.456 -4.172 1.00 0.00 O ATOM 148 CB ILE A 13 -5.905 10.435 -6.721 1.00 0.00 C ATOM 149 CG1 ILE A 13 -5.503 10.868 -8.133 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.805 11.586 -5.718 1.00 0.00 C ATOM 151 CD1 ILE A 13 -4.358 11.882 -8.090 1.00 0.00 C ATOM 0 H ILE A 13 -6.477 8.093 -7.323 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.053 9.442 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.952 10.134 -6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.200 9.996 -8.712 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.362 11.305 -8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.402 12.428 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.177 11.257 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.764 11.895 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.092 12.173 -9.106 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.673 12.763 -7.531 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.493 11.433 -7.603 1.00 0.00 H new ATOM 163 N LEU A 14 -4.000 9.565 -4.130 1.00 0.00 N ATOM 164 CA LEU A 14 -3.847 9.463 -2.689 1.00 0.00 C ATOM 165 C LEU A 14 -3.031 10.654 -2.182 1.00 0.00 C ATOM 166 O LEU A 14 -1.882 10.840 -2.581 1.00 0.00 O ATOM 167 CB LEU A 14 -3.254 8.105 -2.307 1.00 0.00 C ATOM 168 CG LEU A 14 -4.244 6.942 -2.221 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.541 5.654 -1.788 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.419 7.289 -1.304 1.00 0.00 C ATOM 0 H LEU A 14 -3.243 10.056 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.819 9.509 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.485 7.849 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.758 8.206 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.652 6.767 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.268 4.843 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.767 5.401 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.087 5.799 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.108 6.445 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.047 7.506 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.940 8.163 -1.695 1.00 0.00 H new ATOM 182 N TYR A 15 -3.656 11.431 -1.310 1.00 0.00 N ATOM 183 CA TYR A 15 -3.003 12.599 -0.744 1.00 0.00 C ATOM 184 C TYR A 15 -2.230 12.234 0.525 1.00 0.00 C ATOM 185 O TYR A 15 -2.394 11.140 1.063 1.00 0.00 O ATOM 186 CB TYR A 15 -4.124 13.575 -0.381 1.00 0.00 C ATOM 187 CG TYR A 15 -4.835 14.184 -1.591 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.509 13.368 -2.477 1.00 0.00 C ATOM 189 CD2 TYR A 15 -4.803 15.548 -1.797 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.179 13.941 -3.616 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.472 16.121 -2.936 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.127 15.289 -3.789 1.00 0.00 C ATOM 193 OH TYR A 15 -6.760 15.830 -4.865 1.00 0.00 O ATOM 0 H TYR A 15 -4.609 11.274 -0.981 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.293 13.023 -1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.858 13.056 0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.709 14.379 0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.534 12.300 -2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.276 16.186 -1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.711 13.314 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.454 17.187 -3.109 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.640 16.803 -4.860 1.00 0.00 H new ATOM 203 N LYS A 16 -1.404 13.171 0.966 1.00 0.00 N ATOM 204 CA LYS A 16 -0.605 12.962 2.162 1.00 0.00 C ATOM 205 C LYS A 16 -0.482 14.283 2.925 1.00 0.00 C ATOM 206 O LYS A 16 -0.023 15.282 2.374 1.00 0.00 O ATOM 207 CB LYS A 16 0.742 12.332 1.803 1.00 0.00 C ATOM 208 CG LYS A 16 1.578 12.071 3.058 1.00 0.00 C ATOM 209 CD LYS A 16 2.710 11.085 2.767 1.00 0.00 C ATOM 210 CE LYS A 16 3.814 11.191 3.822 1.00 0.00 C ATOM 211 NZ LYS A 16 4.925 10.267 3.504 1.00 0.00 N ATOM 0 H LYS A 16 -1.270 14.077 0.517 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.095 12.252 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.579 11.396 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.288 12.992 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.994 13.010 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.940 11.675 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.316 10.069 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.126 11.284 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.186 12.215 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.408 10.956 4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.665 10.352 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.569 9.290 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.323 10.509 2.574 1.00 0.00 H new ATOM 225 N LYS A 17 -0.899 14.244 4.182 1.00 0.00 N ATOM 226 CA LYS A 17 -0.841 15.425 5.026 1.00 0.00 C ATOM 227 C LYS A 17 0.622 15.782 5.297 1.00 0.00 C ATOM 228 O LYS A 17 1.301 15.093 6.057 1.00 0.00 O ATOM 229 CB LYS A 17 -1.669 15.217 6.296 1.00 0.00 C ATOM 230 CG LYS A 17 -2.130 16.556 6.876 1.00 0.00 C ATOM 231 CD LYS A 17 -3.147 16.346 8.000 1.00 0.00 C ATOM 232 CE LYS A 17 -2.456 16.318 9.365 1.00 0.00 C ATOM 233 NZ LYS A 17 -2.870 15.122 10.131 1.00 0.00 N ATOM 0 H LYS A 17 -1.278 13.413 4.636 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.289 16.279 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.536 14.596 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.076 14.680 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.270 17.107 7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.574 17.164 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.888 17.145 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.683 15.411 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.374 16.315 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.706 17.220 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.392 15.119 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.900 15.141 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.610 14.264 9.603 1.00 0.00 H new ATOM 337 N TRP A 24 -3.061 19.435 1.995 1.00 0.00 N ATOM 338 CA TRP A 24 -2.487 18.108 1.858 1.00 0.00 C ATOM 339 C TRP A 24 -1.897 17.991 0.451 1.00 0.00 C ATOM 340 O TRP A 24 -2.399 18.605 -0.489 1.00 0.00 O ATOM 341 CB TRP A 24 -3.526 17.026 2.162 1.00 0.00 C ATOM 342 CG TRP A 24 -4.088 17.086 3.583 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.156 18.146 4.400 1.00 0.00 C ATOM 344 CD2 TRP A 24 -4.663 15.991 4.327 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.730 17.815 5.611 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.048 16.463 5.565 1.00 0.00 C ATOM 347 CE3 TRP A 24 -4.852 14.645 3.965 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.646 15.657 6.541 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.451 13.853 4.952 1.00 0.00 C ATOM 350 CH2 TRP A 24 -5.844 14.313 6.203 1.00 0.00 C ATOM 0 HA TRP A 24 -1.689 17.957 2.585 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.349 17.117 1.453 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -3.074 16.047 2.002 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.806 19.135 4.143 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.891 18.447 6.395 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.558 14.254 3.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.939 16.051 7.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.620 12.811 4.725 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.300 13.637 6.911 1.00 0.00 H new ATOM 361 N LYS A 25 -0.840 17.199 0.351 1.00 0.00 N ATOM 362 CA LYS A 25 -0.176 16.994 -0.926 1.00 0.00 C ATOM 363 C LYS A 25 -0.827 15.814 -1.650 1.00 0.00 C ATOM 364 O LYS A 25 -1.021 14.751 -1.063 1.00 0.00 O ATOM 365 CB LYS A 25 1.332 16.837 -0.726 1.00 0.00 C ATOM 366 CG LYS A 25 2.095 17.988 -1.385 1.00 0.00 C ATOM 367 CD LYS A 25 3.310 18.392 -0.546 1.00 0.00 C ATOM 368 CE LYS A 25 3.099 19.764 0.098 1.00 0.00 C ATOM 369 NZ LYS A 25 4.213 20.080 1.020 1.00 0.00 N ATOM 0 H LYS A 25 -0.426 16.691 1.133 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.300 17.868 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.560 16.808 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.662 15.888 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.420 17.690 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.433 18.845 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.486 17.646 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.200 18.414 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.031 20.529 -0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.154 19.776 0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.055 21.014 1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.259 19.359 1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.109 20.089 0.492 1.00 0.00 H new ATOM 383 N ALA A 26 -1.146 16.041 -2.916 1.00 0.00 N ATOM 384 CA ALA A 26 -1.770 15.010 -3.727 1.00 0.00 C ATOM 385 C ALA A 26 -0.711 14.353 -4.614 1.00 0.00 C ATOM 386 O ALA A 26 -0.023 15.034 -5.373 1.00 0.00 O ATOM 387 CB ALA A 26 -2.913 15.621 -4.540 1.00 0.00 C ATOM 0 H ALA A 26 -0.984 16.924 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.199 14.233 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.381 14.847 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.653 16.048 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.520 16.404 -5.188 1.00 0.00 H new ATOM 393 N ARG A 27 -0.613 13.037 -4.489 1.00 0.00 N ATOM 394 CA ARG A 27 0.351 12.281 -5.270 1.00 0.00 C ATOM 395 C ARG A 27 -0.278 10.981 -5.775 1.00 0.00 C ATOM 396 O ARG A 27 -1.313 10.551 -5.269 1.00 0.00 O ATOM 397 CB ARG A 27 1.593 11.949 -4.440 1.00 0.00 C ATOM 398 CG ARG A 27 2.249 13.222 -3.902 1.00 0.00 C ATOM 399 CD ARG A 27 3.440 12.887 -3.002 1.00 0.00 C ATOM 400 NE ARG A 27 3.715 14.016 -2.084 1.00 0.00 N ATOM 401 CZ ARG A 27 4.806 14.107 -1.312 1.00 0.00 C ATOM 402 NH1 ARG A 27 5.731 13.138 -1.341 1.00 0.00 N ATOM 403 NH2 ARG A 27 4.972 15.168 -0.510 1.00 0.00 N ATOM 0 H ARG A 27 -1.185 12.476 -3.859 1.00 0.00 H new ATOM 0 HA ARG A 27 0.648 12.899 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.317 11.299 -3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.307 11.398 -5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.581 13.844 -4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.517 13.803 -3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.230 11.984 -2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.320 12.680 -3.611 1.00 0.00 H new ATOM 0 HE ARG A 27 3.031 14.771 -2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.605 12.330 -1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.561 13.208 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.268 15.906 -0.488 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.802 15.238 0.078 1.00 0.00 H new ATOM 417 N TRP A 28 0.373 10.393 -6.768 1.00 0.00 N ATOM 418 CA TRP A 28 -0.109 9.151 -7.348 1.00 0.00 C ATOM 419 C TRP A 28 0.517 7.992 -6.571 1.00 0.00 C ATOM 420 O TRP A 28 1.732 7.804 -6.601 1.00 0.00 O ATOM 421 CB TRP A 28 0.187 9.095 -8.848 1.00 0.00 C ATOM 422 CG TRP A 28 -0.360 7.847 -9.543 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.317 6.761 -9.943 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.734 7.597 -9.908 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.516 5.835 -10.536 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.803 6.360 -10.513 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.880 8.392 -9.731 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.997 5.806 -10.991 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -4.065 7.824 -10.214 1.00 0.00 C ATOM 430 CH2 TRP A 28 -4.152 6.579 -10.826 1.00 0.00 C ATOM 0 H TRP A 28 1.231 10.754 -7.186 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.193 9.081 -7.263 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.236 9.979 -9.325 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.266 9.138 -8.997 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.381 6.628 -9.817 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.239 4.932 -10.920 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.849 9.363 -9.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.025 4.834 -11.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.976 8.393 -10.103 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.106 6.210 -11.172 1.00 0.00 H new ATOM 441 N PHE A 29 -0.341 7.244 -5.892 1.00 0.00 N ATOM 442 CA PHE A 29 0.113 6.108 -5.109 1.00 0.00 C ATOM 443 C PHE A 29 -0.060 4.801 -5.886 1.00 0.00 C ATOM 444 O PHE A 29 -0.669 4.786 -6.954 1.00 0.00 O ATOM 445 CB PHE A 29 -0.755 6.058 -3.849 1.00 0.00 C ATOM 446 CG PHE A 29 -0.268 6.970 -2.721 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.393 8.122 -3.015 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.496 6.628 -1.425 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.844 8.968 -1.969 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.044 7.475 -0.378 1.00 0.00 C ATOM 451 CZ PHE A 29 0.616 8.627 -0.672 1.00 0.00 C ATOM 0 H PHE A 29 -1.348 7.403 -5.868 1.00 0.00 H new ATOM 0 HA PHE A 29 1.171 6.219 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.776 6.336 -4.112 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.788 5.032 -3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.575 8.393 -4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.020 5.713 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.368 9.883 -2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.225 7.204 0.652 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.959 9.271 0.124 1.00 0.00 H new ATOM 461 N VAL A 30 0.486 3.736 -5.318 1.00 0.00 N ATOM 462 CA VAL A 30 0.399 2.427 -5.944 1.00 0.00 C ATOM 463 C VAL A 30 0.162 1.366 -4.868 1.00 0.00 C ATOM 464 O VAL A 30 0.820 1.374 -3.828 1.00 0.00 O ATOM 465 CB VAL A 30 1.654 2.162 -6.779 1.00 0.00 C ATOM 466 CG1 VAL A 30 1.860 0.662 -6.997 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.591 2.908 -8.114 1.00 0.00 C ATOM 0 H VAL A 30 0.990 3.752 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.447 2.388 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 30 2.513 2.540 -6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.758 0.501 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.971 0.166 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.998 0.249 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.494 2.703 -8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.720 2.574 -8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.514 3.979 -7.929 1.00 0.00 H new ATOM 477 N LEU A 31 -0.779 0.479 -5.154 1.00 0.00 N ATOM 478 CA LEU A 31 -1.111 -0.586 -4.223 1.00 0.00 C ATOM 479 C LEU A 31 -0.538 -1.907 -4.741 1.00 0.00 C ATOM 480 O LEU A 31 -1.242 -2.683 -5.385 1.00 0.00 O ATOM 481 CB LEU A 31 -2.620 -0.627 -3.971 1.00 0.00 C ATOM 482 CG LEU A 31 -3.052 -0.844 -2.519 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.335 -2.323 -2.247 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.018 -0.270 -1.548 1.00 0.00 C ATOM 0 H LEU A 31 -1.322 0.476 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.654 -0.399 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.052 0.310 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.048 -1.423 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.983 -0.302 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.640 -2.450 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.133 -2.668 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.434 -2.906 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.349 -0.437 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.059 -0.763 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.909 0.800 -1.724 1.00 0.00 H new ATOM 496 N ASP A 32 0.734 -2.122 -4.440 1.00 0.00 N ATOM 497 CA ASP A 32 1.410 -3.335 -4.867 1.00 0.00 C ATOM 498 C ASP A 32 1.074 -4.469 -3.897 1.00 0.00 C ATOM 499 O ASP A 32 1.274 -4.338 -2.690 1.00 0.00 O ATOM 500 CB ASP A 32 2.928 -3.149 -4.869 1.00 0.00 C ATOM 501 CG ASP A 32 3.435 -1.979 -5.715 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.061 -1.936 -6.907 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.185 -1.153 -5.150 1.00 0.00 O ATOM 0 H ASP A 32 1.315 -1.476 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 32 1.075 -3.570 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.263 -3.007 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.391 -4.067 -5.231 1.00 0.00 H new ATOM 508 N LYS A 33 0.569 -5.557 -4.460 1.00 0.00 N ATOM 509 CA LYS A 33 0.204 -6.713 -3.659 1.00 0.00 C ATOM 510 C LYS A 33 1.358 -7.717 -3.664 1.00 0.00 C ATOM 511 O LYS A 33 1.551 -8.452 -2.697 1.00 0.00 O ATOM 512 CB LYS A 33 -1.124 -7.301 -4.142 1.00 0.00 C ATOM 513 CG LYS A 33 -1.145 -7.429 -5.666 1.00 0.00 C ATOM 514 CD LYS A 33 -2.209 -8.432 -6.118 1.00 0.00 C ATOM 515 CE LYS A 33 -1.842 -9.853 -5.685 1.00 0.00 C ATOM 516 NZ LYS A 33 -1.614 -10.713 -6.868 1.00 0.00 N ATOM 0 H LYS A 33 0.404 -5.662 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 33 0.040 -6.421 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.278 -8.280 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.947 -6.666 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.345 -6.455 -6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.165 -7.748 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.176 -8.157 -5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.313 -8.394 -7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.945 -9.831 -5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.641 -10.271 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.366 -11.674 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.480 -10.748 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.836 -10.322 -7.437 1.00 0.00 H new ATOM 530 N THR A 34 2.096 -7.717 -4.765 1.00 0.00 N ATOM 531 CA THR A 34 3.227 -8.618 -4.908 1.00 0.00 C ATOM 532 C THR A 34 4.392 -8.156 -4.031 1.00 0.00 C ATOM 533 O THR A 34 5.115 -8.978 -3.470 1.00 0.00 O ATOM 534 CB THR A 34 3.580 -8.700 -6.395 1.00 0.00 C ATOM 535 OG1 THR A 34 3.953 -7.368 -6.737 1.00 0.00 O ATOM 536 CG2 THR A 34 2.359 -8.983 -7.272 1.00 0.00 C ATOM 0 H THR A 34 1.933 -7.107 -5.566 1.00 0.00 H new ATOM 0 HA THR A 34 2.980 -9.622 -4.562 1.00 0.00 H new ATOM 0 HB THR A 34 4.325 -9.480 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.199 -7.330 -7.685 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.665 -9.031 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.914 -9.934 -6.980 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.627 -8.186 -7.145 1.00 0.00 H new ATOM 544 N LYS A 35 4.538 -6.842 -3.941 1.00 0.00 N ATOM 545 CA LYS A 35 5.603 -6.261 -3.141 1.00 0.00 C ATOM 546 C LYS A 35 5.054 -5.885 -1.764 1.00 0.00 C ATOM 547 O LYS A 35 5.819 -5.613 -0.839 1.00 0.00 O ATOM 548 CB LYS A 35 6.254 -5.093 -3.884 1.00 0.00 C ATOM 549 CG LYS A 35 7.287 -5.593 -4.895 1.00 0.00 C ATOM 550 CD LYS A 35 8.690 -5.098 -4.536 1.00 0.00 C ATOM 551 CE LYS A 35 9.700 -5.478 -5.621 1.00 0.00 C ATOM 552 NZ LYS A 35 11.083 -5.297 -5.128 1.00 0.00 N ATOM 0 H LYS A 35 3.937 -6.164 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 35 6.398 -6.989 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.488 -4.513 -4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.734 -4.425 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.278 -6.683 -4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.020 -5.248 -5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.676 -4.015 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.997 -5.526 -3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.547 -6.515 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.540 -4.863 -6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.756 -5.559 -5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.230 -4.302 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.237 -5.902 -4.297 1.00 0.00 H new ATOM 566 N HIS A 36 3.732 -5.881 -1.670 1.00 0.00 N ATOM 567 CA HIS A 36 3.072 -5.542 -0.421 1.00 0.00 C ATOM 568 C HIS A 36 3.644 -4.232 0.124 1.00 0.00 C ATOM 569 O HIS A 36 3.986 -4.142 1.302 1.00 0.00 O ATOM 570 CB HIS A 36 3.176 -6.696 0.579 1.00 0.00 C ATOM 571 CG HIS A 36 4.592 -7.138 0.861 1.00 0.00 C ATOM 572 ND1 HIS A 36 5.097 -8.354 0.435 1.00 0.00 N ATOM 573 CD2 HIS A 36 5.604 -6.514 1.530 1.00 0.00 C ATOM 574 CE1 HIS A 36 6.356 -8.447 0.835 1.00 0.00 C ATOM 575 NE2 HIS A 36 6.668 -7.306 1.515 1.00 0.00 N ATOM 0 H HIS A 36 3.101 -6.107 -2.438 1.00 0.00 H new ATOM 0 HA HIS A 36 2.008 -5.386 -0.599 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.707 -6.395 1.516 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.610 -7.546 0.198 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.548 -5.540 1.993 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.019 -9.280 0.655 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.571 -7.097 1.941 1.00 0.00 H new ATOM 583 N GLN A 37 3.732 -3.249 -0.760 1.00 0.00 N ATOM 584 CA GLN A 37 4.257 -1.948 -0.383 1.00 0.00 C ATOM 585 C GLN A 37 3.442 -0.835 -1.043 1.00 0.00 C ATOM 586 O GLN A 37 2.728 -1.076 -2.016 1.00 0.00 O ATOM 587 CB GLN A 37 5.739 -1.830 -0.743 1.00 0.00 C ATOM 588 CG GLN A 37 6.581 -2.815 0.070 1.00 0.00 C ATOM 589 CD GLN A 37 7.840 -2.139 0.617 1.00 0.00 C ATOM 590 OE1 GLN A 37 8.028 -1.994 1.814 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.690 -1.736 -0.323 1.00 0.00 N ATOM 0 H GLN A 37 3.448 -3.328 -1.737 1.00 0.00 H new ATOM 0 HA GLN A 37 4.170 -1.842 0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.875 -2.022 -1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.082 -0.812 -0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.989 -3.211 0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.862 -3.662 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.471 -1.888 -1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.561 -1.274 -0.059 1.00 0.00 H new ATOM 600 N LEU A 38 3.575 0.361 -0.489 1.00 0.00 N ATOM 601 CA LEU A 38 2.859 1.513 -1.012 1.00 0.00 C ATOM 602 C LEU A 38 3.847 2.442 -1.720 1.00 0.00 C ATOM 603 O LEU A 38 4.626 3.137 -1.070 1.00 0.00 O ATOM 604 CB LEU A 38 2.059 2.196 0.099 1.00 0.00 C ATOM 605 CG LEU A 38 0.719 2.805 -0.318 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.368 2.495 0.713 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.855 4.308 -0.573 1.00 0.00 C ATOM 0 H LEU A 38 4.168 0.558 0.317 1.00 0.00 H new ATOM 0 HA LEU A 38 2.125 1.201 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.875 1.467 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.675 2.984 0.531 1.00 0.00 H new ATOM 0 HG LEU A 38 0.413 2.346 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.310 2.939 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.488 1.415 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.082 2.909 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.112 4.716 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.195 4.802 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.579 4.478 -1.370 1.00 0.00 H new ATOM 619 N ARG A 39 3.781 2.426 -3.043 1.00 0.00 N ATOM 620 CA ARG A 39 4.660 3.258 -3.847 1.00 0.00 C ATOM 621 C ARG A 39 3.902 4.483 -4.366 1.00 0.00 C ATOM 622 O ARG A 39 2.880 4.346 -5.035 1.00 0.00 O ATOM 623 CB ARG A 39 5.226 2.477 -5.034 1.00 0.00 C ATOM 624 CG ARG A 39 6.245 1.434 -4.569 1.00 0.00 C ATOM 625 CD ARG A 39 7.482 1.437 -5.469 1.00 0.00 C ATOM 626 NE ARG A 39 8.709 1.421 -4.642 1.00 0.00 N ATOM 627 CZ ARG A 39 9.192 0.329 -4.034 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.554 -0.843 -4.156 1.00 0.00 N ATOM 629 NH2 ARG A 39 10.312 0.409 -3.304 1.00 0.00 N ATOM 0 H ARG A 39 3.132 1.850 -3.579 1.00 0.00 H new ATOM 0 HA ARG A 39 5.486 3.578 -3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.415 1.984 -5.570 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.699 3.165 -5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.539 1.641 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.788 0.445 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.465 0.568 -6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.475 2.320 -6.108 1.00 0.00 H new ATOM 0 HE ARG A 39 9.219 2.297 -4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.701 -0.904 -4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.922 -1.674 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.797 1.301 -3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.680 -0.422 -2.841 1.00 0.00 H new ATOM 643 N TYR A 40 4.434 5.651 -4.037 1.00 0.00 N ATOM 644 CA TYR A 40 3.821 6.898 -4.461 1.00 0.00 C ATOM 645 C TYR A 40 4.871 7.867 -5.008 1.00 0.00 C ATOM 646 O TYR A 40 5.997 7.913 -4.514 1.00 0.00 O ATOM 647 CB TYR A 40 3.189 7.505 -3.207 1.00 0.00 C ATOM 648 CG TYR A 40 4.168 7.694 -2.046 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.141 8.671 -2.116 1.00 0.00 C ATOM 650 CD2 TYR A 40 4.078 6.888 -0.929 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.062 8.848 -1.023 1.00 0.00 C ATOM 652 CE2 TYR A 40 4.999 7.066 0.163 1.00 0.00 C ATOM 653 CZ TYR A 40 5.945 8.038 0.062 1.00 0.00 C ATOM 654 OH TYR A 40 6.815 8.205 1.094 1.00 0.00 O ATOM 0 H TYR A 40 5.283 5.760 -3.482 1.00 0.00 H new ATOM 0 HA TYR A 40 3.092 6.718 -5.251 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.754 8.471 -3.463 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.371 6.864 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.211 9.302 -2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.317 6.124 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.829 9.608 -1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.940 6.442 1.042 1.00 0.00 H new ATOM 0 HH TYR A 40 6.612 7.558 1.801 1.00 0.00 H new ATOM 664 N TYR A 41 4.466 8.617 -6.023 1.00 0.00 N ATOM 665 CA TYR A 41 5.358 9.581 -6.643 1.00 0.00 C ATOM 666 C TYR A 41 4.636 10.903 -6.911 1.00 0.00 C ATOM 667 O TYR A 41 3.407 10.957 -6.897 1.00 0.00 O ATOM 668 CB TYR A 41 5.782 8.966 -7.978 1.00 0.00 C ATOM 669 CG TYR A 41 5.843 7.437 -7.967 1.00 0.00 C ATOM 670 CD1 TYR A 41 4.679 6.700 -8.046 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.062 6.796 -7.880 1.00 0.00 C ATOM 672 CE1 TYR A 41 4.736 5.261 -8.036 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.119 5.357 -7.870 1.00 0.00 C ATOM 674 CZ TYR A 41 5.953 4.661 -7.948 1.00 0.00 C ATOM 675 OH TYR A 41 6.007 3.302 -7.939 1.00 0.00 O ATOM 0 H TYR A 41 3.532 8.576 -6.431 1.00 0.00 H new ATOM 0 HA TYR A 41 6.206 9.792 -5.992 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.084 9.286 -8.752 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.762 9.357 -8.251 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.725 7.202 -8.115 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.973 7.373 -7.819 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.833 4.672 -8.097 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.066 4.842 -7.802 1.00 0.00 H new ATOM 0 HH TYR A 41 6.926 3.010 -8.114 1.00 0.00 H new ATOM 836 N VAL A 52 8.667 4.177 0.654 1.00 0.00 N ATOM 837 CA VAL A 52 7.543 3.288 0.412 1.00 0.00 C ATOM 838 C VAL A 52 6.867 2.953 1.743 1.00 0.00 C ATOM 839 O VAL A 52 7.356 3.336 2.805 1.00 0.00 O ATOM 840 CB VAL A 52 8.013 2.047 -0.349 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.758 2.437 -1.627 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.880 1.154 0.540 1.00 0.00 C ATOM 0 HA VAL A 52 6.798 3.776 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 52 7.130 1.476 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.081 1.536 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.095 3.013 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.629 3.040 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.201 0.279 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.755 1.712 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.303 0.834 1.407 1.00 0.00 H new ATOM 852 N ILE A 53 5.753 2.243 1.642 1.00 0.00 N ATOM 853 CA ILE A 53 5.005 1.852 2.824 1.00 0.00 C ATOM 854 C ILE A 53 4.732 0.348 2.776 1.00 0.00 C ATOM 855 O ILE A 53 3.812 -0.098 2.093 1.00 0.00 O ATOM 856 CB ILE A 53 3.740 2.702 2.964 1.00 0.00 C ATOM 857 CG1 ILE A 53 3.948 4.096 2.367 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.280 2.765 4.421 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.654 4.911 2.413 1.00 0.00 C ATOM 0 H ILE A 53 5.350 1.928 0.759 1.00 0.00 H new ATOM 0 HA ILE A 53 5.590 2.042 3.724 1.00 0.00 H new ATOM 0 HB ILE A 53 2.942 2.224 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.731 4.618 2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.289 4.007 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.380 3.375 4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.065 1.758 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.067 3.207 5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.830 5.897 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.880 4.398 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.329 5.019 3.448 1.00 0.00 H new ATOM 871 N ASP A 54 5.549 -0.393 3.510 1.00 0.00 N ATOM 872 CA ASP A 54 5.407 -1.839 3.560 1.00 0.00 C ATOM 873 C ASP A 54 4.039 -2.193 4.147 1.00 0.00 C ATOM 874 O ASP A 54 3.826 -2.067 5.352 1.00 0.00 O ATOM 875 CB ASP A 54 6.481 -2.467 4.450 1.00 0.00 C ATOM 876 CG ASP A 54 6.672 -3.974 4.266 1.00 0.00 C ATOM 877 OD1 ASP A 54 7.238 -4.351 3.217 1.00 0.00 O ATOM 878 OD2 ASP A 54 6.248 -4.715 5.179 1.00 0.00 O ATOM 0 H ASP A 54 6.312 -0.020 4.075 1.00 0.00 H new ATOM 0 HA ASP A 54 5.510 -2.223 2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.431 -1.969 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.228 -2.272 5.492 1.00 0.00 H new ATOM 883 N LEU A 55 3.148 -2.628 3.268 1.00 0.00 N ATOM 884 CA LEU A 55 1.807 -3.002 3.685 1.00 0.00 C ATOM 885 C LEU A 55 1.895 -4.092 4.754 1.00 0.00 C ATOM 886 O LEU A 55 0.984 -4.244 5.567 1.00 0.00 O ATOM 887 CB LEU A 55 0.960 -3.395 2.473 1.00 0.00 C ATOM 888 CG LEU A 55 0.848 -2.347 1.364 1.00 0.00 C ATOM 889 CD1 LEU A 55 0.296 -2.967 0.078 1.00 0.00 C ATOM 890 CD2 LEU A 55 0.017 -1.148 1.825 1.00 0.00 C ATOM 0 H LEU A 55 3.328 -2.730 2.269 1.00 0.00 H new ATOM 0 HA LEU A 55 1.298 -2.152 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.377 -4.306 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.045 -3.637 2.820 1.00 0.00 H new ATOM 0 HG LEU A 55 1.849 -1.978 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.226 -2.201 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.962 -3.762 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.694 -3.381 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.047 -0.418 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.985 -1.482 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.491 -0.689 2.693 1.00 0.00 H new ATOM 902 N ALA A 56 2.999 -4.823 4.719 1.00 0.00 N ATOM 903 CA ALA A 56 3.218 -5.895 5.676 1.00 0.00 C ATOM 904 C ALA A 56 3.432 -5.295 7.067 1.00 0.00 C ATOM 905 O ALA A 56 3.416 -6.014 8.066 1.00 0.00 O ATOM 906 CB ALA A 56 4.402 -6.751 5.222 1.00 0.00 C ATOM 0 H ALA A 56 3.752 -4.694 4.043 1.00 0.00 H new ATOM 0 HA ALA A 56 2.346 -6.547 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.566 -7.555 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.188 -7.178 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.297 -6.131 5.160 1.00 0.00 H new ATOM 912 N GLU A 57 3.627 -3.985 7.088 1.00 0.00 N ATOM 913 CA GLU A 57 3.843 -3.281 8.341 1.00 0.00 C ATOM 914 C GLU A 57 2.538 -2.649 8.827 1.00 0.00 C ATOM 915 O GLU A 57 2.408 -2.311 10.003 1.00 0.00 O ATOM 916 CB GLU A 57 4.942 -2.226 8.193 1.00 0.00 C ATOM 917 CG GLU A 57 6.322 -2.880 8.107 1.00 0.00 C ATOM 918 CD GLU A 57 6.910 -3.104 9.502 1.00 0.00 C ATOM 919 OE1 GLU A 57 7.143 -2.087 10.190 1.00 0.00 O ATOM 920 OE2 GLU A 57 7.114 -4.288 9.848 1.00 0.00 O ATOM 0 H GLU A 57 3.640 -3.392 6.258 1.00 0.00 H new ATOM 0 HA GLU A 57 4.174 -4.002 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.761 -1.631 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.912 -1.543 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.245 -3.833 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.992 -2.249 7.523 1.00 0.00 H new ATOM 927 N VAL A 58 1.603 -2.508 7.898 1.00 0.00 N ATOM 928 CA VAL A 58 0.312 -1.923 8.218 1.00 0.00 C ATOM 929 C VAL A 58 -0.468 -2.882 9.119 1.00 0.00 C ATOM 930 O VAL A 58 -0.491 -4.088 8.877 1.00 0.00 O ATOM 931 CB VAL A 58 -0.435 -1.570 6.931 1.00 0.00 C ATOM 932 CG1 VAL A 58 -1.845 -1.060 7.238 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.349 -0.550 6.103 1.00 0.00 C ATOM 0 H VAL A 58 1.714 -2.789 6.924 1.00 0.00 H new ATOM 0 HA VAL A 58 0.440 -0.991 8.769 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.529 -2.480 6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.355 -0.816 6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.404 -1.832 7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.782 -0.168 7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.205 -0.317 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.490 0.360 6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.321 -0.966 5.839 1.00 0.00 H new ATOM 943 N GLU A 59 -1.090 -2.310 10.140 1.00 0.00 N ATOM 944 CA GLU A 59 -1.869 -3.099 11.079 1.00 0.00 C ATOM 945 C GLU A 59 -3.348 -3.082 10.686 1.00 0.00 C ATOM 946 O GLU A 59 -4.075 -4.038 10.950 1.00 0.00 O ATOM 947 CB GLU A 59 -1.677 -2.595 12.511 1.00 0.00 C ATOM 948 CG GLU A 59 -0.257 -2.880 13.006 1.00 0.00 C ATOM 949 CD GLU A 59 -0.145 -2.645 14.514 1.00 0.00 C ATOM 950 OE1 GLU A 59 -0.223 -1.463 14.912 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.017 -3.654 15.234 1.00 0.00 O ATOM 0 H GLU A 59 -1.070 -1.309 10.337 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.514 -4.129 11.041 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.872 -1.523 12.553 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.399 -3.077 13.170 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.013 -3.910 12.774 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.451 -2.239 12.481 1.00 0.00 H new ATOM 958 N ALA A 60 -3.749 -1.984 10.062 1.00 0.00 N ATOM 959 CA ALA A 60 -5.128 -1.831 9.630 1.00 0.00 C ATOM 960 C ALA A 60 -5.384 -0.367 9.267 1.00 0.00 C ATOM 961 O ALA A 60 -4.528 0.490 9.486 1.00 0.00 O ATOM 962 CB ALA A 60 -6.066 -2.331 10.730 1.00 0.00 C ATOM 0 H ALA A 60 -3.144 -1.192 9.845 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.320 -2.430 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.100 -2.216 10.406 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.863 -3.383 10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.904 -1.751 11.638 1.00 0.00 H new ATOM 968 N VAL A 61 -6.565 -0.124 8.718 1.00 0.00 N ATOM 969 CA VAL A 61 -6.945 1.222 8.323 1.00 0.00 C ATOM 970 C VAL A 61 -8.379 1.497 8.778 1.00 0.00 C ATOM 971 O VAL A 61 -9.154 0.568 8.997 1.00 0.00 O ATOM 972 CB VAL A 61 -6.752 1.398 6.815 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.830 0.052 6.091 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.770 2.388 6.244 1.00 0.00 C ATOM 0 H VAL A 61 -7.272 -0.837 8.537 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.304 1.958 8.808 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.756 1.809 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.690 0.206 5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.050 -0.610 6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.806 -0.400 6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.611 2.495 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.779 2.018 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.646 3.357 6.728 1.00 0.00 H new ATOM 984 N ALA A 62 -8.689 2.779 8.908 1.00 0.00 N ATOM 985 CA ALA A 62 -10.016 3.189 9.333 1.00 0.00 C ATOM 986 C ALA A 62 -10.379 4.511 8.655 1.00 0.00 C ATOM 987 O ALA A 62 -9.517 5.364 8.447 1.00 0.00 O ATOM 988 CB ALA A 62 -10.055 3.286 10.860 1.00 0.00 C ATOM 0 H ALA A 62 -8.043 3.547 8.726 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.760 2.451 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.051 3.594 11.180 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.819 2.314 11.292 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.323 4.020 11.197 1.00 0.00 H new ATOM 994 N PRO A 63 -11.690 4.645 8.320 1.00 0.00 N ATOM 995 CA PRO A 63 -12.178 5.849 7.669 1.00 0.00 C ATOM 996 C PRO A 63 -12.279 7.007 8.664 1.00 0.00 C ATOM 997 O PRO A 63 -12.839 6.852 9.748 1.00 0.00 O ATOM 998 CB PRO A 63 -13.521 5.459 7.074 1.00 0.00 C ATOM 999 CG PRO A 63 -13.949 4.196 7.804 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.739 3.656 8.550 1.00 0.00 C ATOM 0 HA PRO A 63 -11.504 6.210 6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.254 6.255 7.208 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.436 5.281 6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.760 4.413 8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.324 3.455 7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.948 3.541 9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.448 2.675 8.175 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.727 8.142 8.260 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.748 9.326 9.102 1.00 0.00 C ATOM 1010 C GLY A 64 -12.633 10.416 8.494 1.00 0.00 C ATOM 1011 O GLY A 64 -13.407 10.152 7.575 1.00 0.00 O ATOM 0 H GLY A 64 -11.262 8.267 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.117 9.065 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.734 9.705 9.228 1.00 0.00 H new ATOM 1015 N THR A 65 -12.490 11.618 9.032 1.00 0.00 N ATOM 1016 CA THR A 65 -13.266 12.749 8.554 1.00 0.00 C ATOM 1017 C THR A 65 -12.350 13.790 7.908 1.00 0.00 C ATOM 1018 O THR A 65 -11.151 13.820 8.178 1.00 0.00 O ATOM 1019 CB THR A 65 -14.075 13.299 9.731 1.00 0.00 C ATOM 1020 OG1 THR A 65 -13.204 13.152 10.849 1.00 0.00 O ATOM 1021 CG2 THR A 65 -15.277 12.418 10.078 1.00 0.00 C ATOM 0 H THR A 65 -11.848 11.833 9.795 1.00 0.00 H new ATOM 0 HA THR A 65 -13.964 12.447 7.773 1.00 0.00 H new ATOM 0 HB THR A 65 -14.419 14.306 9.496 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.335 13.555 10.642 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.816 12.853 10.919 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.941 12.353 9.216 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.931 11.420 10.346 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.967 14.641 7.045 1.00 0.00 N ATOM 1030 CA PRO A 66 -12.220 15.681 6.358 1.00 0.00 C ATOM 1031 C PRO A 66 -11.884 16.833 7.307 1.00 0.00 C ATOM 1032 O PRO A 66 -12.752 17.634 7.649 1.00 0.00 O ATOM 1033 CB PRO A 66 -13.110 16.106 5.201 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.508 15.623 5.551 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.386 14.636 6.700 1.00 0.00 C ATOM 0 HA PRO A 66 -11.254 15.333 5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.092 17.188 5.071 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.768 15.667 4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.142 16.463 5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.975 15.148 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.001 14.938 7.548 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.718 13.641 6.404 1.00 0.00 H new ATOM 1043 N THR A 67 -10.621 16.880 7.706 1.00 0.00 N ATOM 1044 CA THR A 67 -10.160 17.920 8.609 1.00 0.00 C ATOM 1045 C THR A 67 -9.787 19.180 7.825 1.00 0.00 C ATOM 1046 O THR A 67 -9.972 19.237 6.611 1.00 0.00 O ATOM 1047 CB THR A 67 -9.002 17.352 9.433 1.00 0.00 C ATOM 1048 OG1 THR A 67 -8.094 16.851 8.456 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.407 16.114 10.235 1.00 0.00 C ATOM 0 H THR A 67 -9.903 16.214 7.420 1.00 0.00 H new ATOM 0 HA THR A 67 -10.949 18.225 9.297 1.00 0.00 H new ATOM 0 HB THR A 67 -8.629 18.119 10.112 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.312 16.466 8.903 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.549 15.751 10.802 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.213 16.373 10.922 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.748 15.335 9.554 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.267 20.158 8.552 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.867 21.414 7.940 1.00 0.00 C ATOM 1059 C ILE A 68 -7.605 21.189 7.104 1.00 0.00 C ATOM 1060 O ILE A 68 -6.704 20.461 7.517 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.714 22.503 9.003 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.071 22.881 9.601 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -7.977 23.720 8.439 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -10.039 22.797 11.128 1.00 0.00 C ATOM 0 H ILE A 68 -9.113 20.106 9.559 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.641 21.771 7.261 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.105 22.105 9.814 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.339 23.892 9.294 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.842 22.215 9.213 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.882 24.479 9.215 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.985 23.420 8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.539 24.128 7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.015 23.070 11.528 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.795 21.779 11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.284 23.482 11.514 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.581 21.827 5.943 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.445 21.706 5.046 1.00 0.00 C ATOM 1078 C GLY A 69 -6.765 20.767 3.880 1.00 0.00 C ATOM 1079 O GLY A 69 -6.349 21.013 2.749 1.00 0.00 O ATOM 0 H GLY A 69 -8.331 22.429 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.174 22.689 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.582 21.329 5.595 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.500 19.712 4.197 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.880 18.735 3.191 1.00 0.00 C ATOM 1085 C ALA A 70 -8.594 19.447 2.040 1.00 0.00 C ATOM 1086 O ALA A 70 -9.088 20.561 2.205 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.747 17.651 3.833 1.00 0.00 C ATOM 0 H ALA A 70 -7.843 19.512 5.137 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.998 18.245 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.032 16.918 3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.184 17.156 4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.644 18.105 4.255 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.627 18.756 0.869 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.273 19.310 -0.309 1.00 0.00 C ATOM 1095 C PRO A 71 -10.796 19.239 -0.184 1.00 0.00 C ATOM 1096 O PRO A 71 -11.319 18.578 0.712 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.734 18.495 -1.473 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.169 17.222 -0.864 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.053 17.434 0.636 1.00 0.00 C ATOM 0 HA PRO A 71 -9.057 20.369 -0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.523 18.268 -2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.963 19.046 -2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.819 16.374 -1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.194 16.994 -1.294 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.594 16.665 1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.014 17.390 0.963 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.465 19.929 -1.096 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.918 19.953 -1.099 1.00 0.00 C ATOM 1109 C LYS A 72 -13.440 18.871 -2.047 1.00 0.00 C ATOM 1110 O LYS A 72 -14.414 18.187 -1.738 1.00 0.00 O ATOM 1111 CB LYS A 72 -13.431 21.357 -1.427 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.514 22.219 -0.166 1.00 0.00 C ATOM 1113 CD LYS A 72 -14.944 22.710 0.070 1.00 0.00 C ATOM 1114 CE LYS A 72 -15.022 24.235 -0.025 1.00 0.00 C ATOM 1115 NZ LYS A 72 -16.427 24.672 -0.184 1.00 0.00 N ATOM 0 H LYS A 72 -11.028 20.476 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.304 19.722 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.769 21.830 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.415 21.289 -1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.177 21.643 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.843 23.073 -0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.612 22.261 -0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.287 22.385 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.594 24.684 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.428 24.584 -0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.463 25.709 -0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.823 24.259 -1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.984 24.356 0.635 1.00 0.00 H new ATOM 1129 N THR A 73 -12.767 18.750 -3.182 1.00 0.00 N ATOM 1130 CA THR A 73 -13.150 17.762 -4.177 1.00 0.00 C ATOM 1131 C THR A 73 -13.538 16.446 -3.500 1.00 0.00 C ATOM 1132 O THR A 73 -14.654 15.960 -3.674 1.00 0.00 O ATOM 1133 CB THR A 73 -11.995 17.618 -5.169 1.00 0.00 C ATOM 1134 OG1 THR A 73 -10.827 17.701 -4.357 1.00 0.00 O ATOM 1135 CG2 THR A 73 -11.879 18.818 -6.111 1.00 0.00 C ATOM 0 H THR A 73 -11.959 19.319 -3.435 1.00 0.00 H new ATOM 0 HA THR A 73 -14.034 18.079 -4.730 1.00 0.00 H new ATOM 0 HB THR A 73 -12.131 16.709 -5.754 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.030 17.615 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.044 18.665 -6.794 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.801 18.922 -6.683 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.709 19.723 -5.528 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.594 15.907 -2.743 1.00 0.00 N ATOM 1144 CA VAL A 74 -12.822 14.656 -2.039 1.00 0.00 C ATOM 1145 C VAL A 74 -13.982 14.833 -1.057 1.00 0.00 C ATOM 1146 O VAL A 74 -14.375 15.958 -0.751 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.531 14.193 -1.362 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.146 15.131 -0.217 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -11.657 12.750 -0.870 1.00 0.00 C ATOM 0 H VAL A 74 -11.669 16.314 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.105 13.870 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.733 14.225 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.225 14.779 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.995 16.138 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.944 15.146 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.726 12.446 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.473 12.681 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.863 12.094 -1.716 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.498 13.705 -0.591 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.605 13.721 0.350 1.00 0.00 C ATOM 1161 C ASP A 75 -15.135 13.159 1.693 1.00 0.00 C ATOM 1162 O ASP A 75 -13.969 12.800 1.846 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.763 12.853 -0.147 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.157 13.433 0.098 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.313 14.653 -0.130 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.036 12.644 0.507 1.00 0.00 O ATOM 0 H ASP A 75 -14.170 12.774 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.945 14.751 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.639 12.685 -1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.701 11.879 0.338 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.068 13.100 2.632 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.764 12.588 3.958 1.00 0.00 C ATOM 1173 C GLU A 76 -15.728 11.058 3.940 1.00 0.00 C ATOM 1174 O GLU A 76 -14.999 10.442 4.716 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.772 13.100 4.988 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.176 12.570 4.692 1.00 0.00 C ATOM 1177 CD GLU A 76 -19.231 13.655 4.918 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -19.514 14.384 3.943 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.732 13.731 6.061 1.00 0.00 O ATOM 0 H GLU A 76 -17.035 13.398 2.501 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.779 12.953 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.466 12.790 5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.782 14.190 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.226 12.218 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.388 11.713 5.332 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.523 10.490 3.046 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.591 9.044 2.917 1.00 0.00 C ATOM 1188 C LYS A 77 -15.465 8.565 1.999 1.00 0.00 C ATOM 1189 O LYS A 77 -15.706 7.810 1.058 1.00 0.00 O ATOM 1190 CB LYS A 77 -17.986 8.612 2.458 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.063 9.139 3.407 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.460 8.941 2.815 1.00 0.00 C ATOM 1193 CE LYS A 77 -20.825 7.457 2.755 1.00 0.00 C ATOM 1194 NZ LYS A 77 -22.294 7.286 2.699 1.00 0.00 N ATOM 0 H LYS A 77 -17.126 11.004 2.404 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.438 8.567 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.172 8.982 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.037 7.524 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.993 8.623 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.894 10.198 3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.194 9.475 3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.498 9.369 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.366 6.999 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.426 6.943 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.524 6.273 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.725 7.705 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.667 7.760 1.851 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.260 9.023 2.304 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.097 8.650 1.518 1.00 0.00 C ATOM 1210 C ALA A 78 -11.875 8.557 2.435 1.00 0.00 C ATOM 1211 O ALA A 78 -11.234 7.511 2.516 1.00 0.00 O ATOM 1212 CB ALA A 78 -12.900 9.661 0.386 1.00 0.00 C ATOM 0 H ALA A 78 -14.064 9.649 3.085 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.241 7.671 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.027 9.381 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.783 9.668 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -12.749 10.655 0.808 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.591 9.666 3.103 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.458 9.722 4.011 1.00 0.00 C ATOM 1220 C PHE A 79 -10.337 8.428 4.818 1.00 0.00 C ATOM 1221 O PHE A 79 -11.324 7.939 5.366 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.713 10.886 4.972 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.544 12.267 4.335 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -11.589 12.850 3.689 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -9.349 12.911 4.415 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -11.433 14.132 3.098 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -9.192 14.193 3.823 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.237 14.776 3.178 1.00 0.00 C ATOM 0 H PHE A 79 -12.126 10.532 3.033 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.535 9.854 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.725 10.801 5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.031 10.801 5.818 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.538 12.338 3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.519 12.448 4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.263 14.595 2.585 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.243 14.704 3.885 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.118 15.751 2.729 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.119 7.909 4.865 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.856 6.681 5.595 1.00 0.00 C ATOM 1240 C PHE A 80 -7.453 6.696 6.206 1.00 0.00 C ATOM 1241 O PHE A 80 -6.470 6.932 5.506 1.00 0.00 O ATOM 1242 CB PHE A 80 -8.948 5.533 4.588 1.00 0.00 C ATOM 1243 CG PHE A 80 -7.864 5.563 3.509 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.002 6.377 2.429 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.762 4.775 3.631 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -6.996 6.405 1.427 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.756 4.803 2.629 1.00 0.00 C ATOM 1248 CZ PHE A 80 -5.894 5.618 1.549 1.00 0.00 C ATOM 0 H PHE A 80 -8.303 8.317 4.409 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.576 6.569 6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.885 4.587 5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.926 5.563 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.877 7.003 2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.652 4.129 4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.106 7.051 0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.881 4.177 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.128 5.640 0.788 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.405 6.441 7.506 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.139 6.422 8.219 1.00 0.00 C ATOM 1260 C ASP A 81 -5.537 5.018 8.143 1.00 0.00 C ATOM 1261 O ASP A 81 -6.250 4.025 8.279 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.333 6.775 9.695 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.501 7.958 10.192 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -4.487 8.258 9.526 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -5.898 8.536 11.227 1.00 0.00 O ATOM 0 H ASP A 81 -8.223 6.246 8.084 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.480 7.157 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.387 6.995 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.089 5.900 10.297 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.231 4.980 7.926 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.525 3.713 7.831 1.00 0.00 C ATOM 1272 C VAL A 82 -2.650 3.527 9.073 1.00 0.00 C ATOM 1273 O VAL A 82 -1.710 4.288 9.294 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.729 3.655 6.525 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.691 2.532 6.566 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.660 3.498 5.322 1.00 0.00 C ATOM 0 H VAL A 82 -3.643 5.806 7.813 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.231 2.883 7.804 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.196 4.600 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.139 2.512 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.999 2.706 7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.195 1.576 6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.069 3.459 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.233 2.576 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.343 4.346 5.277 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.992 2.510 9.850 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.250 2.214 11.064 1.00 0.00 C ATOM 1288 C LYS A 83 -1.064 1.309 10.724 1.00 0.00 C ATOM 1289 O LYS A 83 -1.250 0.194 10.238 1.00 0.00 O ATOM 1290 CB LYS A 83 -3.179 1.635 12.133 1.00 0.00 C ATOM 1291 CG LYS A 83 -4.151 2.699 12.649 1.00 0.00 C ATOM 1292 CD LYS A 83 -5.154 2.093 13.632 1.00 0.00 C ATOM 1293 CE LYS A 83 -6.347 3.029 13.844 1.00 0.00 C ATOM 1294 NZ LYS A 83 -6.821 2.955 15.244 1.00 0.00 N ATOM 0 H LYS A 83 -3.773 1.881 9.663 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.841 3.129 11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.739 0.797 11.718 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.588 1.245 12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.595 3.499 13.138 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.684 3.148 11.810 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.504 1.132 13.255 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.663 1.901 14.586 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.060 4.053 13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.155 2.757 13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.630 3.596 15.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.113 1.981 15.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.053 3.236 15.886 1.00 0.00 H new ATOM 1308 N THR A 84 0.127 1.821 10.993 1.00 0.00 N ATOM 1309 CA THR A 84 1.343 1.073 10.722 1.00 0.00 C ATOM 1310 C THR A 84 2.218 1.004 11.975 1.00 0.00 C ATOM 1311 O THR A 84 1.883 1.589 13.003 1.00 0.00 O ATOM 1312 CB THR A 84 2.043 1.724 9.527 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.795 3.117 9.697 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.367 1.385 8.197 1.00 0.00 C ATOM 0 H THR A 84 0.277 2.746 11.396 1.00 0.00 H new ATOM 0 HA THR A 84 1.120 0.038 10.462 1.00 0.00 H new ATOM 0 HB THR A 84 3.084 1.403 9.497 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.783 3.556 8.821 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.903 1.872 7.382 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.381 0.306 8.047 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.335 1.736 8.213 1.00 0.00 H new ATOM 1322 N THR A 85 3.322 0.283 11.848 1.00 0.00 N ATOM 1323 CA THR A 85 4.248 0.130 12.957 1.00 0.00 C ATOM 1324 C THR A 85 4.962 1.453 13.242 1.00 0.00 C ATOM 1325 O THR A 85 5.006 1.904 14.386 1.00 0.00 O ATOM 1326 CB THR A 85 5.204 -1.016 12.621 1.00 0.00 C ATOM 1327 OG1 THR A 85 6.029 -0.488 11.585 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.491 -2.199 11.962 1.00 0.00 C ATOM 0 H THR A 85 3.596 -0.202 10.994 1.00 0.00 H new ATOM 0 HA THR A 85 3.723 -0.125 13.878 1.00 0.00 H new ATOM 0 HB THR A 85 5.701 -1.352 13.531 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.226 -1.192 10.933 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.215 -2.985 11.744 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.728 -2.586 12.637 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.022 -1.870 11.035 1.00 0.00 H new ATOM 1336 N ARG A 86 5.503 2.037 12.183 1.00 0.00 N ATOM 1337 CA ARG A 86 6.212 3.299 12.306 1.00 0.00 C ATOM 1338 C ARG A 86 5.306 4.359 12.936 1.00 0.00 C ATOM 1339 O ARG A 86 5.496 4.735 14.091 1.00 0.00 O ATOM 1340 CB ARG A 86 6.693 3.795 10.941 1.00 0.00 C ATOM 1341 CG ARG A 86 8.217 3.715 10.833 1.00 0.00 C ATOM 1342 CD ARG A 86 8.841 5.112 10.832 1.00 0.00 C ATOM 1343 NE ARG A 86 9.273 5.473 9.463 1.00 0.00 N ATOM 1344 CZ ARG A 86 10.344 4.949 8.852 1.00 0.00 C ATOM 1345 NH1 ARG A 86 11.099 4.040 9.483 1.00 0.00 N ATOM 1346 NH2 ARG A 86 10.661 5.336 7.608 1.00 0.00 N ATOM 0 H ARG A 86 5.465 1.660 11.236 1.00 0.00 H new ATOM 0 HA ARG A 86 7.079 3.131 12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.237 3.197 10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.368 4.824 10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.614 3.136 11.667 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.493 3.189 9.919 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.119 5.842 11.199 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.694 5.139 11.510 1.00 0.00 H new ATOM 0 HE ARG A 86 8.721 6.163 8.953 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.859 3.746 10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.914 3.642 9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.087 6.029 7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.476 4.938 7.142 1.00 0.00 H new ATOM 1360 N ARG A 87 4.341 4.810 12.149 1.00 0.00 N ATOM 1361 CA ARG A 87 3.405 5.818 12.615 1.00 0.00 C ATOM 1362 C ARG A 87 2.129 5.789 11.771 1.00 0.00 C ATOM 1363 O ARG A 87 2.132 5.281 10.651 1.00 0.00 O ATOM 1364 CB ARG A 87 4.022 7.217 12.546 1.00 0.00 C ATOM 1365 CG ARG A 87 4.299 7.622 11.097 1.00 0.00 C ATOM 1366 CD ARG A 87 5.184 8.869 11.037 1.00 0.00 C ATOM 1367 NE ARG A 87 5.153 9.446 9.674 1.00 0.00 N ATOM 1368 CZ ARG A 87 5.431 10.727 9.394 1.00 0.00 C ATOM 1369 NH1 ARG A 87 5.763 11.571 10.380 1.00 0.00 N ATOM 1370 NH2 ARG A 87 5.378 11.162 8.128 1.00 0.00 N ATOM 0 H ARG A 87 4.187 4.496 11.191 1.00 0.00 H new ATOM 0 HA ARG A 87 3.163 5.591 13.653 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.348 7.939 13.007 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.950 7.238 13.117 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.786 6.800 10.572 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.357 7.815 10.583 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.837 9.606 11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.208 8.612 11.309 1.00 0.00 H new ATOM 0 HE ARG A 87 4.905 8.830 8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.804 11.239 11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.975 12.546 10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.126 10.518 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.589 12.137 7.914 1.00 0.00 H new ATOM 1384 N VAL A 88 1.068 6.341 12.341 1.00 0.00 N ATOM 1385 CA VAL A 88 -0.213 6.385 11.655 1.00 0.00 C ATOM 1386 C VAL A 88 -0.121 7.355 10.476 1.00 0.00 C ATOM 1387 O VAL A 88 0.469 8.427 10.593 1.00 0.00 O ATOM 1388 CB VAL A 88 -1.323 6.748 12.643 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.493 7.428 11.928 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.795 5.514 13.415 1.00 0.00 C ATOM 0 H VAL A 88 1.069 6.762 13.270 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.464 5.404 11.251 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.912 7.457 13.362 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.268 7.676 12.653 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.143 8.340 11.445 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.902 6.753 11.176 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.584 5.800 14.110 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.179 4.772 12.715 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.958 5.090 13.970 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.715 6.943 9.365 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.708 7.762 8.165 1.00 0.00 C ATOM 1402 C TYR A 89 -2.121 8.235 7.816 1.00 0.00 C ATOM 1403 O TYR A 89 -3.046 7.429 7.731 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.193 6.860 7.042 1.00 0.00 C ATOM 1405 CG TYR A 89 1.186 6.255 7.312 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.163 7.012 7.925 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.452 4.952 6.944 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.461 6.442 8.180 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.749 4.382 7.199 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.690 5.156 7.804 1.00 0.00 C ATOM 1411 OH TYR A 89 4.916 4.618 8.045 1.00 0.00 O ATOM 0 H TYR A 89 -1.204 6.053 9.271 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.088 8.647 8.308 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.908 6.053 6.882 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.151 7.436 6.118 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.955 8.032 8.214 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.687 4.360 6.464 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.235 7.023 8.659 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.970 3.363 6.916 1.00 0.00 H new ATOM 0 HH TYR A 89 4.936 3.692 7.724 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.243 9.540 7.623 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.527 10.130 7.285 1.00 0.00 C ATOM 1423 C ASN A 90 -3.626 10.291 5.767 1.00 0.00 C ATOM 1424 O ASN A 90 -3.284 11.342 5.227 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.680 11.515 7.918 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.736 11.498 9.025 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.907 11.764 8.807 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -4.259 11.170 10.223 1.00 0.00 N ATOM 0 H ASN A 90 -1.473 10.206 7.694 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.310 9.472 7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.723 11.839 8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.961 12.239 7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.885 11.130 11.028 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.268 10.959 10.337 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.095 9.233 5.122 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.243 9.244 3.676 1.00 0.00 C ATOM 1437 C PHE A 91 -5.686 9.558 3.275 1.00 0.00 C ATOM 1438 O PHE A 91 -6.587 9.532 4.113 1.00 0.00 O ATOM 1439 CB PHE A 91 -3.882 7.842 3.179 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.380 7.555 3.165 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.507 8.519 2.769 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -1.917 6.335 3.549 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.112 8.253 2.756 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.522 6.068 3.536 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.351 7.033 3.140 1.00 0.00 C ATOM 0 H PHE A 91 -4.377 8.363 5.573 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.599 10.008 3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.377 7.105 3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.276 7.712 2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.875 9.488 2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.610 5.569 3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.581 9.019 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.155 5.099 3.840 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.412 6.831 3.130 1.00 0.00 H new ATOM 1455 N CYS A 92 -5.861 9.848 1.994 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.178 10.167 1.472 1.00 0.00 C ATOM 1457 C CYS A 92 -7.065 10.340 -0.044 1.00 0.00 C ATOM 1458 O CYS A 92 -6.157 11.013 -0.529 1.00 0.00 O ATOM 1459 CB CYS A 92 -7.769 11.407 2.146 1.00 0.00 C ATOM 1460 SG CYS A 92 -6.524 12.748 2.189 1.00 0.00 S ATOM 0 H CYS A 92 -5.112 9.869 1.302 1.00 0.00 H new ATOM 0 HA CYS A 92 -7.867 9.352 1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -8.655 11.739 1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.088 11.163 3.159 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.544 13.322 3.355 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.001 9.721 -0.749 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.018 9.799 -2.200 1.00 0.00 C ATOM 1468 C ALA A 93 -8.741 11.077 -2.630 1.00 0.00 C ATOM 1469 O ALA A 93 -8.614 12.114 -1.982 1.00 0.00 O ATOM 1470 CB ALA A 93 -8.671 8.539 -2.771 1.00 0.00 C ATOM 0 H ALA A 93 -8.752 9.164 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.003 9.847 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.684 8.597 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.102 7.662 -2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.693 8.459 -2.400 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.483 10.960 -3.721 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.227 12.093 -4.246 1.00 0.00 C ATOM 1478 C GLN A 94 -11.640 11.662 -4.644 1.00 0.00 C ATOM 1479 O GLN A 94 -12.270 12.295 -5.490 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.494 12.730 -5.428 1.00 0.00 C ATOM 1481 CG GLN A 94 -9.366 11.743 -6.590 1.00 0.00 C ATOM 1482 CD GLN A 94 -8.502 12.324 -7.711 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -7.733 13.253 -7.519 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.670 11.729 -8.888 1.00 0.00 N ATOM 0 H GLN A 94 -9.585 10.098 -4.256 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.306 12.846 -3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.032 13.618 -5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.503 13.057 -5.113 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.927 10.811 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -10.356 11.501 -6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.330 10.957 -8.979 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.139 12.045 -9.699 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.096 10.588 -4.016 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.422 10.065 -4.295 1.00 0.00 C ATOM 1495 C ASP A 95 -13.908 9.252 -3.093 1.00 0.00 C ATOM 1496 O ASP A 95 -13.105 8.805 -2.276 1.00 0.00 O ATOM 1497 CB ASP A 95 -13.406 9.142 -5.515 1.00 0.00 C ATOM 1498 CG ASP A 95 -14.376 9.529 -6.632 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -14.921 10.651 -6.547 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -14.552 8.695 -7.546 1.00 0.00 O ATOM 0 H ASP A 95 -11.570 10.066 -3.315 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.083 10.909 -4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.395 9.122 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.638 8.128 -5.188 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.221 9.085 -3.024 1.00 0.00 N ATOM 1506 CA VAL A 96 -15.823 8.334 -1.935 1.00 0.00 C ATOM 1507 C VAL A 96 -15.606 6.838 -2.173 1.00 0.00 C ATOM 1508 O VAL A 96 -15.201 6.114 -1.265 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.300 8.709 -1.795 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.145 7.484 -1.441 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.487 9.822 -0.762 1.00 0.00 C ATOM 0 H VAL A 96 -15.884 9.457 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.346 8.585 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.643 9.085 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.190 7.778 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.048 6.735 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.800 7.065 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.545 10.070 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.119 9.485 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.930 10.706 -1.074 1.00 0.00 H new ATOM 1521 N PRO A 97 -15.892 6.408 -3.431 1.00 0.00 N ATOM 1522 CA PRO A 97 -15.733 5.012 -3.799 1.00 0.00 C ATOM 1523 C PRO A 97 -14.255 4.657 -3.978 1.00 0.00 C ATOM 1524 O PRO A 97 -13.766 3.701 -3.379 1.00 0.00 O ATOM 1525 CB PRO A 97 -16.541 4.847 -5.076 1.00 0.00 C ATOM 1526 CG PRO A 97 -16.740 6.249 -5.628 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.374 7.237 -4.532 1.00 0.00 C ATOM 0 HA PRO A 97 -16.089 4.331 -3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.015 4.216 -5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -17.499 4.368 -4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.115 6.405 -6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -17.774 6.393 -5.942 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -15.607 7.934 -4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.236 7.832 -4.231 1.00 0.00 H new ATOM 1535 N SER A 98 -13.586 5.447 -4.804 1.00 0.00 N ATOM 1536 CA SER A 98 -12.174 5.229 -5.069 1.00 0.00 C ATOM 1537 C SER A 98 -11.437 4.925 -3.762 1.00 0.00 C ATOM 1538 O SER A 98 -10.513 4.114 -3.741 1.00 0.00 O ATOM 1539 CB SER A 98 -11.549 6.442 -5.761 1.00 0.00 C ATOM 1540 OG SER A 98 -12.011 6.589 -7.100 1.00 0.00 O ATOM 0 H SER A 98 -13.995 6.239 -5.299 1.00 0.00 H new ATOM 0 HA SER A 98 -12.080 4.375 -5.739 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.785 7.343 -5.195 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.464 6.340 -5.761 1.00 0.00 H new ATOM 0 HG SER A 98 -11.590 7.375 -7.507 1.00 0.00 H new ATOM 1546 N ALA A 99 -11.875 5.593 -2.705 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.269 5.404 -1.398 1.00 0.00 C ATOM 1548 C ALA A 99 -11.625 4.013 -0.871 1.00 0.00 C ATOM 1549 O ALA A 99 -10.741 3.235 -0.514 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.728 6.520 -0.456 1.00 0.00 C ATOM 0 H ALA A 99 -12.642 6.265 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.183 5.462 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.274 6.378 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.424 7.486 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.813 6.492 -0.360 1.00 0.00 H new ATOM 1556 N GLN A 100 -12.921 3.742 -0.838 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.405 2.457 -0.360 1.00 0.00 C ATOM 1558 C GLN A 100 -12.573 1.321 -0.958 1.00 0.00 C ATOM 1559 O GLN A 100 -12.274 0.342 -0.277 1.00 0.00 O ATOM 1560 CB GLN A 100 -14.890 2.277 -0.682 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.737 3.337 0.027 1.00 0.00 C ATOM 1562 CD GLN A 100 -16.965 2.706 0.687 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -16.960 1.556 1.096 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -18.014 3.519 0.768 1.00 0.00 N ATOM 0 H GLN A 100 -13.651 4.390 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.296 2.430 0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.043 2.345 -1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.214 1.282 -0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.135 3.844 0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.054 4.094 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.951 4.470 0.406 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.882 3.191 1.192 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.223 1.490 -2.225 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.432 0.490 -2.922 1.00 0.00 C ATOM 1575 C GLN A 101 -10.062 0.340 -2.257 1.00 0.00 C ATOM 1576 O GLN A 101 -9.527 -0.765 -2.171 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.286 0.842 -4.404 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.622 0.697 -5.135 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.407 0.541 -6.642 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -12.395 -0.551 -7.184 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -12.239 1.693 -7.286 1.00 0.00 N ATOM 0 H GLN A 101 -12.473 2.304 -2.787 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.952 -0.466 -2.859 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.921 1.864 -4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.543 0.191 -4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.160 -0.169 -4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.244 1.571 -4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.260 2.573 -6.771 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.089 1.696 -8.295 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.533 1.467 -1.803 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.236 1.474 -1.148 1.00 0.00 C ATOM 1592 C TRP A 102 -8.355 0.666 0.146 1.00 0.00 C ATOM 1593 O TRP A 102 -7.694 -0.360 0.304 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.747 2.905 -0.916 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.163 3.573 -2.163 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.721 4.521 -2.929 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.878 3.303 -2.761 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.893 4.880 -3.972 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.736 4.116 -3.867 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.868 2.402 -2.380 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.598 4.109 -4.683 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.738 2.407 -3.206 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.579 3.219 -4.323 1.00 0.00 C ATOM 0 H TRP A 102 -9.979 2.381 -1.876 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.482 1.007 -1.782 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.578 3.507 -0.549 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -6.989 2.897 -0.132 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.696 4.950 -2.752 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.093 5.578 -4.689 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -4.957 1.757 -1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.511 4.755 -5.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.932 1.732 -2.958 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.674 3.164 -4.910 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.201 1.159 1.038 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.415 0.495 2.313 1.00 0.00 C ATOM 1616 C VAL A 103 -9.458 -1.018 2.094 1.00 0.00 C ATOM 1617 O VAL A 103 -8.596 -1.745 2.587 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.680 1.039 2.980 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -11.056 0.203 4.205 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.512 2.513 3.353 1.00 0.00 C ATOM 0 H VAL A 103 -9.746 2.010 0.903 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.590 0.701 2.995 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.496 0.966 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.958 0.611 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -11.237 -0.828 3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -10.241 0.230 4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.425 2.875 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.678 2.620 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.313 3.096 2.453 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.470 -1.449 1.355 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.636 -2.863 1.066 1.00 0.00 C ATOM 1632 C ASP A 104 -9.280 -3.466 0.693 1.00 0.00 C ATOM 1633 O ASP A 104 -8.786 -4.361 1.377 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.588 -3.076 -0.113 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.301 -4.429 -0.133 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.009 -5.237 0.775 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.121 -4.625 -1.056 1.00 0.00 O ATOM 0 H ASP A 104 -11.183 -0.844 0.948 1.00 0.00 H new ATOM 0 HA ASP A 104 -11.048 -3.342 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.340 -2.287 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.025 -2.966 -1.040 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.717 -2.951 -0.390 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.428 -3.428 -0.861 1.00 0.00 C ATOM 1644 C ARG A 105 -6.455 -3.575 0.311 1.00 0.00 C ATOM 1645 O ARG A 105 -6.138 -4.690 0.723 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.830 -2.469 -1.893 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.172 -2.913 -3.316 1.00 0.00 C ATOM 1648 CD ARG A 105 -7.310 -1.708 -4.249 1.00 0.00 C ATOM 1649 NE ARG A 105 -8.136 -2.067 -5.422 1.00 0.00 N ATOM 1650 CZ ARG A 105 -9.468 -2.215 -5.387 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -10.131 -2.035 -4.236 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -10.136 -2.542 -6.501 1.00 0.00 N ATOM 0 H ARG A 105 -9.130 -2.208 -0.955 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.586 -4.399 -1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.209 -1.462 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.748 -2.427 -1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.394 -3.579 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.102 -3.481 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -7.766 -0.874 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.325 -1.376 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.662 -2.211 -6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -9.622 -1.786 -3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.144 -2.147 -4.208 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.631 -2.679 -7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -11.149 -2.654 -6.474 1.00 0.00 H new ATOM 1666 N ILE A 106 -6.009 -2.434 0.816 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.080 -2.422 1.932 1.00 0.00 C ATOM 1668 C ILE A 106 -5.553 -3.416 2.995 1.00 0.00 C ATOM 1669 O ILE A 106 -4.802 -4.301 3.401 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.894 -0.998 2.460 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.300 -0.088 1.384 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -4.058 -0.993 3.742 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.830 1.341 1.521 1.00 0.00 C ATOM 0 H ILE A 106 -6.274 -1.511 0.472 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.092 -2.748 1.608 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.875 -0.597 2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.213 -0.086 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.546 -0.478 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.941 0.031 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.560 -1.586 4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.076 -1.421 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.392 1.968 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.915 1.338 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.561 1.736 2.500 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.797 -3.235 3.416 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.379 -4.104 4.424 1.00 0.00 C ATOM 1687 C GLN A 107 -7.218 -5.571 4.018 1.00 0.00 C ATOM 1688 O GLN A 107 -7.147 -6.451 4.874 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.851 -3.760 4.660 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.992 -2.621 5.672 1.00 0.00 C ATOM 1691 CD GLN A 107 -10.378 -2.633 6.321 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -11.036 -3.655 6.422 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -10.782 -1.442 6.755 1.00 0.00 N ATOM 0 H GLN A 107 -7.417 -2.499 3.077 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.847 -3.946 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.317 -3.473 3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.381 -4.641 5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.225 -2.716 6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -8.828 -1.665 5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.181 -0.626 6.639 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.693 -1.345 7.204 1.00 0.00 H new ATOM 1702 N SER A 108 -7.164 -5.787 2.712 1.00 0.00 N ATOM 1703 CA SER A 108 -7.011 -7.132 2.182 1.00 0.00 C ATOM 1704 C SER A 108 -5.585 -7.631 2.423 1.00 0.00 C ATOM 1705 O SER A 108 -5.324 -8.831 2.356 1.00 0.00 O ATOM 1706 CB SER A 108 -7.345 -7.177 0.690 1.00 0.00 C ATOM 1707 OG SER A 108 -8.282 -8.206 0.383 1.00 0.00 O ATOM 0 H SER A 108 -7.223 -5.054 2.005 1.00 0.00 H new ATOM 0 HA SER A 108 -7.710 -7.786 2.703 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.750 -6.214 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.431 -7.337 0.119 1.00 0.00 H new ATOM 0 HG SER A 108 -8.470 -8.201 -0.579 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.700 -6.684 2.698 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.307 -7.013 2.948 1.00 0.00 C ATOM 1715 C CYS A 109 -2.830 -6.196 4.151 1.00 0.00 C ATOM 1716 O CYS A 109 -2.096 -5.221 3.993 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.437 -6.770 1.713 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.686 -8.344 1.158 1.00 0.00 S ATOM 0 H CYS A 109 -4.920 -5.690 2.753 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.216 -8.076 3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -3.040 -6.342 0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.656 -6.046 1.945 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.951 -8.128 0.108 1.00 0.00 H new