USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 416 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 28 THR OG1 : rot 180:sc= -1.19 USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.711 USER MOD Single : A 10 SER OG : rot 35:sc= 0.0958 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00549) USER MOD Single : A 13 SER OG : rot -85:sc= 0.319 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 34 SER OG : rot -8:sc= 0.557 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0349 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -3:sc= 0.622 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00417) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 161 N SER A 10 64.177 3.950 8.005 1.00 0.12 N ATOM 162 CA SER A 10 63.423 2.712 8.202 1.00 0.12 C ATOM 163 C SER A 10 63.649 1.749 7.038 1.00 0.10 C ATOM 164 O SER A 10 64.015 2.165 5.939 1.00 0.12 O ATOM 165 CB SER A 10 61.932 3.025 8.322 1.00 0.16 C ATOM 166 OG SER A 10 61.722 3.886 9.434 1.00 0.19 O ATOM 0 HA SER A 10 63.773 2.240 9.120 1.00 0.12 H new ATOM 0 HB2 SER A 10 61.573 3.498 7.408 1.00 0.16 H new ATOM 0 HB3 SER A 10 61.364 2.103 8.448 1.00 0.16 H new ATOM 0 HG SER A 10 62.480 4.502 9.519 1.00 0.19 H new ATOM 172 N LYS A 11 63.437 0.457 7.297 1.00 0.12 N ATOM 173 CA LYS A 11 63.586 -0.564 6.261 1.00 0.13 C ATOM 174 C LYS A 11 62.317 -0.655 5.417 1.00 0.12 C ATOM 175 O LYS A 11 61.209 -0.715 5.954 1.00 0.17 O ATOM 176 CB LYS A 11 63.865 -1.928 6.903 1.00 0.20 C ATOM 177 CG LYS A 11 65.115 -1.842 7.782 1.00 1.14 C ATOM 178 CD LYS A 11 65.454 -3.231 8.326 1.00 1.26 C ATOM 179 CE LYS A 11 66.623 -3.126 9.306 1.00 1.93 C ATOM 180 NZ LYS A 11 67.894 -2.956 8.546 1.00 2.07 N ATOM 0 H LYS A 11 63.163 0.095 8.211 1.00 0.12 H new ATOM 0 HA LYS A 11 64.423 -0.284 5.621 1.00 0.13 H new ATOM 0 HB2 LYS A 11 63.009 -2.240 7.502 1.00 0.20 H new ATOM 0 HB3 LYS A 11 64.005 -2.683 6.129 1.00 0.20 H new ATOM 0 HG2 LYS A 11 65.953 -1.452 7.204 1.00 1.14 H new ATOM 0 HG3 LYS A 11 64.946 -1.149 8.606 1.00 1.14 H new ATOM 0 HD2 LYS A 11 64.585 -3.659 8.825 1.00 1.26 H new ATOM 0 HD3 LYS A 11 65.713 -3.901 7.506 1.00 1.26 H new ATOM 0 HE2 LYS A 11 66.473 -2.281 9.979 1.00 1.93 H new ATOM 0 HE3 LYS A 11 66.674 -4.021 9.925 1.00 1.93 H new ATOM 0 HZ1 LYS A 11 68.693 -2.919 9.210 1.00 2.07 H new ATOM 0 HZ2 LYS A 11 68.020 -3.759 7.897 1.00 2.07 H new ATOM 0 HZ3 LYS A 11 67.856 -2.072 8.000 1.00 2.07 H new ATOM 194 N ILE A 12 62.485 -0.682 4.094 1.00 0.09 N ATOM 195 CA ILE A 12 61.338 -0.734 3.188 1.00 0.11 C ATOM 196 C ILE A 12 61.583 -1.752 2.075 1.00 0.08 C ATOM 197 O ILE A 12 62.720 -1.955 1.641 1.00 0.08 O ATOM 198 CB ILE A 12 61.077 0.653 2.576 1.00 0.14 C ATOM 199 CG1 ILE A 12 60.932 1.692 3.696 1.00 0.17 C ATOM 200 CG2 ILE A 12 59.783 0.620 1.753 1.00 0.18 C ATOM 201 CD1 ILE A 12 60.921 3.099 3.095 1.00 0.22 C ATOM 0 H ILE A 12 63.394 -0.669 3.631 1.00 0.09 H new ATOM 0 HA ILE A 12 60.462 -1.040 3.761 1.00 0.11 H new ATOM 0 HB ILE A 12 61.914 0.921 1.932 1.00 0.14 H new ATOM 0 HG12 ILE A 12 60.011 1.516 4.252 1.00 0.17 H new ATOM 0 HG13 ILE A 12 61.755 1.595 4.404 1.00 0.17 H new ATOM 0 HG21 ILE A 12 59.601 1.604 1.321 1.00 0.18 H new ATOM 0 HG22 ILE A 12 59.879 -0.115 0.954 1.00 0.18 H new ATOM 0 HG23 ILE A 12 58.948 0.347 2.399 1.00 0.18 H new ATOM 0 HD11 ILE A 12 60.818 3.835 3.893 1.00 0.22 H new ATOM 0 HD12 ILE A 12 61.854 3.273 2.559 1.00 0.22 H new ATOM 0 HD13 ILE A 12 60.083 3.193 2.404 1.00 0.22 H new ATOM 213 N SER A 13 60.503 -2.390 1.626 1.00 0.08 N ATOM 214 CA SER A 13 60.568 -3.311 0.498 1.00 0.08 C ATOM 215 C SER A 13 59.762 -2.757 -0.671 1.00 0.09 C ATOM 216 O SER A 13 58.625 -2.313 -0.495 1.00 0.12 O ATOM 217 CB SER A 13 60.012 -4.676 0.904 1.00 0.10 C ATOM 218 OG SER A 13 60.183 -5.591 -0.171 1.00 0.15 O ATOM 0 H SER A 13 59.572 -2.284 2.029 1.00 0.08 H new ATOM 0 HA SER A 13 61.609 -3.425 0.195 1.00 0.08 H new ATOM 0 HB2 SER A 13 60.526 -5.041 1.793 1.00 0.10 H new ATOM 0 HB3 SER A 13 58.956 -4.590 1.159 1.00 0.10 H new ATOM 0 HG SER A 13 59.431 -5.508 -0.794 1.00 0.15 H new ATOM 224 N LEU A 14 60.358 -2.777 -1.859 1.00 0.10 N ATOM 225 CA LEU A 14 59.730 -2.195 -3.041 1.00 0.11 C ATOM 226 C LEU A 14 59.630 -3.230 -4.158 1.00 0.10 C ATOM 227 O LEU A 14 60.574 -3.982 -4.401 1.00 0.10 O ATOM 228 CB LEU A 14 60.558 -1.003 -3.527 1.00 0.14 C ATOM 229 CG LEU A 14 59.676 -0.069 -4.355 1.00 0.23 C ATOM 230 CD1 LEU A 14 58.711 0.674 -3.429 1.00 0.33 C ATOM 231 CD2 LEU A 14 60.558 0.945 -5.091 1.00 0.34 C ATOM 0 H LEU A 14 61.275 -3.190 -2.029 1.00 0.10 H new ATOM 0 HA LEU A 14 58.726 -1.864 -2.775 1.00 0.11 H new ATOM 0 HB2 LEU A 14 60.975 -0.466 -2.675 1.00 0.14 H new ATOM 0 HB3 LEU A 14 61.399 -1.352 -4.126 1.00 0.14 H new ATOM 0 HG LEU A 14 59.108 -0.652 -5.080 1.00 0.23 H new ATOM 0 HD11 LEU A 14 58.081 1.340 -4.019 1.00 0.33 H new ATOM 0 HD12 LEU A 14 58.084 -0.046 -2.903 1.00 0.33 H new ATOM 0 HD13 LEU A 14 59.279 1.258 -2.705 1.00 0.33 H new ATOM 0 HD21 LEU A 14 59.930 1.612 -5.682 1.00 0.34 H new ATOM 0 HD22 LEU A 14 61.125 1.528 -4.365 1.00 0.34 H new ATOM 0 HD23 LEU A 14 61.247 0.417 -5.750 1.00 0.34 H new ATOM 243 N ILE A 15 58.483 -3.259 -4.835 1.00 0.10 N ATOM 244 CA ILE A 15 58.285 -4.171 -5.962 1.00 0.10 C ATOM 245 C ILE A 15 58.187 -3.364 -7.256 1.00 0.11 C ATOM 246 O ILE A 15 57.317 -2.500 -7.387 1.00 0.13 O ATOM 247 CB ILE A 15 57.004 -4.997 -5.763 1.00 0.13 C ATOM 248 CG1 ILE A 15 57.053 -5.711 -4.405 1.00 0.13 C ATOM 249 CG2 ILE A 15 56.887 -6.047 -6.873 1.00 0.15 C ATOM 250 CD1 ILE A 15 55.645 -6.167 -4.015 1.00 0.17 C ATOM 0 H ILE A 15 57.681 -2.665 -4.625 1.00 0.10 H new ATOM 0 HA ILE A 15 59.133 -4.854 -6.021 1.00 0.10 H new ATOM 0 HB ILE A 15 56.144 -4.329 -5.797 1.00 0.13 H new ATOM 0 HG12 ILE A 15 57.723 -6.569 -4.458 1.00 0.13 H new ATOM 0 HG13 ILE A 15 57.453 -5.041 -3.644 1.00 0.13 H new ATOM 0 HG21 ILE A 15 55.978 -6.630 -6.728 1.00 0.15 H new ATOM 0 HG22 ILE A 15 56.848 -5.549 -7.842 1.00 0.15 H new ATOM 0 HG23 ILE A 15 57.752 -6.709 -6.840 1.00 0.15 H new ATOM 0 HD11 ILE A 15 55.681 -6.674 -3.051 1.00 0.17 H new ATOM 0 HD12 ILE A 15 54.988 -5.300 -3.945 1.00 0.17 H new ATOM 0 HD13 ILE A 15 55.262 -6.852 -4.771 1.00 0.17 H new ATOM 262 N SER A 16 59.077 -3.660 -8.203 1.00 0.12 N ATOM 263 CA SER A 16 59.170 -2.876 -9.433 1.00 0.15 C ATOM 264 C SER A 16 58.317 -3.488 -10.542 1.00 0.17 C ATOM 265 O SER A 16 57.848 -4.620 -10.428 1.00 0.16 O ATOM 266 CB SER A 16 60.628 -2.802 -9.890 1.00 0.16 C ATOM 267 OG SER A 16 61.311 -1.818 -9.124 1.00 0.17 O ATOM 0 H SER A 16 59.740 -4.433 -8.142 1.00 0.12 H new ATOM 0 HA SER A 16 58.797 -1.873 -9.226 1.00 0.15 H new ATOM 0 HB2 SER A 16 61.109 -3.773 -9.768 1.00 0.16 H new ATOM 0 HB3 SER A 16 60.677 -2.553 -10.950 1.00 0.16 H new ATOM 0 HG SER A 16 62.246 -1.769 -9.413 1.00 0.17 H new ATOM 273 N LYS A 17 58.161 -2.744 -11.640 1.00 0.21 N ATOM 274 CA LYS A 17 57.335 -3.194 -12.765 1.00 0.24 C ATOM 275 C LYS A 17 57.844 -4.513 -13.359 1.00 0.21 C ATOM 276 O LYS A 17 57.088 -5.229 -14.019 1.00 0.22 O ATOM 277 CB LYS A 17 57.318 -2.122 -13.858 1.00 0.29 C ATOM 278 CG LYS A 17 56.165 -2.396 -14.826 1.00 0.97 C ATOM 279 CD LYS A 17 56.319 -1.511 -16.066 1.00 1.52 C ATOM 280 CE LYS A 17 55.965 -0.067 -15.711 1.00 2.11 C ATOM 281 NZ LYS A 17 56.565 0.854 -16.717 1.00 2.62 N ATOM 0 H LYS A 17 58.594 -1.830 -11.775 1.00 0.21 H new ATOM 0 HA LYS A 17 56.327 -3.361 -12.384 1.00 0.24 H new ATOM 0 HB2 LYS A 17 57.204 -1.134 -13.411 1.00 0.29 H new ATOM 0 HB3 LYS A 17 58.266 -2.121 -14.396 1.00 0.29 H new ATOM 0 HG2 LYS A 17 56.160 -3.447 -15.114 1.00 0.97 H new ATOM 0 HG3 LYS A 17 55.211 -2.195 -14.339 1.00 0.97 H new ATOM 0 HD2 LYS A 17 57.342 -1.564 -16.439 1.00 1.52 H new ATOM 0 HD3 LYS A 17 55.670 -1.870 -16.864 1.00 1.52 H new ATOM 0 HE2 LYS A 17 54.882 0.058 -15.688 1.00 2.11 H new ATOM 0 HE3 LYS A 17 56.335 0.175 -14.715 1.00 2.11 H new ATOM 0 HZ1 LYS A 17 56.324 1.836 -16.475 1.00 2.62 H new ATOM 0 HZ2 LYS A 17 57.599 0.741 -16.718 1.00 2.62 H new ATOM 0 HZ3 LYS A 17 56.191 0.628 -17.661 1.00 2.62 H new ATOM 295 N ALA A 18 59.118 -4.837 -13.118 1.00 0.19 N ATOM 296 CA ALA A 18 59.716 -6.043 -13.692 1.00 0.18 C ATOM 297 C ALA A 18 59.484 -7.279 -12.811 1.00 0.17 C ATOM 298 O ALA A 18 60.127 -8.310 -13.014 1.00 0.17 O ATOM 299 CB ALA A 18 61.221 -5.832 -13.876 1.00 0.19 C ATOM 0 H ALA A 18 59.749 -4.286 -12.535 1.00 0.19 H new ATOM 0 HA ALA A 18 59.235 -6.221 -14.654 1.00 0.18 H new ATOM 0 HB1 ALA A 18 61.665 -6.731 -14.304 1.00 0.19 H new ATOM 0 HB2 ALA A 18 61.391 -4.989 -14.546 1.00 0.19 H new ATOM 0 HB3 ALA A 18 61.680 -5.625 -12.909 1.00 0.19 H new ATOM 305 N GLU A 19 58.571 -7.180 -11.835 1.00 0.16 N ATOM 306 CA GLU A 19 58.252 -8.314 -10.961 1.00 0.15 C ATOM 307 C GLU A 19 59.479 -8.757 -10.154 1.00 0.13 C ATOM 308 O GLU A 19 59.569 -9.910 -9.731 1.00 0.15 O ATOM 309 CB GLU A 19 57.722 -9.494 -11.786 1.00 0.19 C ATOM 310 CG GLU A 19 56.479 -9.059 -12.564 1.00 0.30 C ATOM 311 CD GLU A 19 55.887 -10.249 -13.310 1.00 0.80 C ATOM 312 OE1 GLU A 19 54.883 -10.769 -12.853 1.00 1.38 O ATOM 313 OE2 GLU A 19 56.447 -10.625 -14.327 1.00 1.63 O ATOM 0 H GLU A 19 58.044 -6.331 -11.633 1.00 0.16 H new ATOM 0 HA GLU A 19 57.481 -7.987 -10.264 1.00 0.15 H new ATOM 0 HB2 GLU A 19 58.491 -9.843 -12.475 1.00 0.19 H new ATOM 0 HB3 GLU A 19 57.479 -10.330 -11.130 1.00 0.19 H new ATOM 0 HG2 GLU A 19 55.739 -8.644 -11.880 1.00 0.30 H new ATOM 0 HG3 GLU A 19 56.739 -8.270 -13.270 1.00 0.30 H new ATOM 320 N ILE A 20 60.417 -7.830 -9.938 1.00 0.12 N ATOM 321 CA ILE A 20 61.584 -8.105 -9.105 1.00 0.12 C ATOM 322 C ILE A 20 61.420 -7.411 -7.753 1.00 0.10 C ATOM 323 O ILE A 20 60.888 -6.302 -7.682 1.00 0.10 O ATOM 324 CB ILE A 20 62.860 -7.602 -9.798 1.00 0.14 C ATOM 325 CG1 ILE A 20 62.973 -8.232 -11.192 1.00 0.16 C ATOM 326 CG2 ILE A 20 64.089 -7.991 -8.969 1.00 0.16 C ATOM 327 CD1 ILE A 20 64.006 -7.463 -12.018 1.00 0.21 C ATOM 0 H ILE A 20 60.389 -6.888 -10.328 1.00 0.12 H new ATOM 0 HA ILE A 20 61.669 -9.181 -8.953 1.00 0.12 H new ATOM 0 HB ILE A 20 62.811 -6.517 -9.889 1.00 0.14 H new ATOM 0 HG12 ILE A 20 63.266 -9.278 -11.107 1.00 0.16 H new ATOM 0 HG13 ILE A 20 62.004 -8.212 -11.691 1.00 0.16 H new ATOM 0 HG21 ILE A 20 64.991 -7.632 -9.465 1.00 0.16 H new ATOM 0 HG22 ILE A 20 64.016 -7.542 -7.978 1.00 0.16 H new ATOM 0 HG23 ILE A 20 64.135 -9.076 -8.873 1.00 0.16 H new ATOM 0 HD11 ILE A 20 64.086 -7.911 -13.009 1.00 0.21 H new ATOM 0 HD12 ILE A 20 63.694 -6.423 -12.114 1.00 0.21 H new ATOM 0 HD13 ILE A 20 64.975 -7.506 -11.521 1.00 0.21 H new ATOM 339 N ARG A 21 61.874 -8.071 -6.689 1.00 0.10 N ATOM 340 CA ARG A 21 61.743 -7.520 -5.342 1.00 0.10 C ATOM 341 C ARG A 21 63.084 -6.980 -4.849 1.00 0.10 C ATOM 342 O ARG A 21 64.067 -7.717 -4.762 1.00 0.12 O ATOM 343 CB ARG A 21 61.243 -8.603 -4.383 1.00 0.12 C ATOM 344 CG ARG A 21 60.779 -7.956 -3.077 1.00 0.17 C ATOM 345 CD ARG A 21 60.308 -9.043 -2.109 1.00 0.37 C ATOM 346 NE ARG A 21 59.776 -8.439 -0.886 1.00 1.15 N ATOM 347 CZ ARG A 21 59.569 -9.147 0.234 1.00 1.73 C ATOM 348 NH1 ARG A 21 59.836 -10.431 0.288 1.00 2.39 N ATOM 349 NH2 ARG A 21 59.092 -8.548 1.290 1.00 2.29 N ATOM 0 H ARG A 21 62.332 -8.981 -6.733 1.00 0.10 H new ATOM 0 HA ARG A 21 61.025 -6.701 -5.373 1.00 0.10 H new ATOM 0 HB2 ARG A 21 60.422 -9.156 -4.839 1.00 0.12 H new ATOM 0 HB3 ARG A 21 62.038 -9.321 -4.183 1.00 0.12 H new ATOM 0 HG2 ARG A 21 61.594 -7.386 -2.632 1.00 0.17 H new ATOM 0 HG3 ARG A 21 59.969 -7.254 -3.274 1.00 0.17 H new ATOM 0 HD2 ARG A 21 59.541 -9.655 -2.584 1.00 0.37 H new ATOM 0 HD3 ARG A 21 61.138 -9.706 -1.864 1.00 0.37 H new ATOM 0 HE ARG A 21 59.555 -7.443 -0.886 1.00 1.15 H new ATOM 0 HH11 ARG A 21 60.209 -10.909 -0.532 1.00 2.39 H new ATOM 0 HH12 ARG A 21 59.671 -10.950 1.150 1.00 2.39 H new ATOM 0 HH21 ARG A 21 58.880 -7.551 1.259 1.00 2.29 H new ATOM 0 HH22 ARG A 21 58.931 -9.077 2.147 1.00 2.29 H new ATOM 363 N TYR A 22 63.110 -5.688 -4.524 1.00 0.10 N ATOM 364 CA TYR A 22 64.314 -5.055 -3.989 1.00 0.11 C ATOM 365 C TYR A 22 64.083 -4.627 -2.544 1.00 0.11 C ATOM 366 O TYR A 22 63.010 -4.130 -2.205 1.00 0.14 O ATOM 367 CB TYR A 22 64.671 -3.821 -4.821 1.00 0.12 C ATOM 368 CG TYR A 22 65.046 -4.127 -6.252 1.00 0.12 C ATOM 369 CD1 TYR A 22 66.410 -4.218 -6.622 1.00 0.11 C ATOM 370 CD2 TYR A 22 64.035 -4.311 -7.228 1.00 0.15 C ATOM 371 CE1 TYR A 22 66.762 -4.492 -7.966 1.00 0.13 C ATOM 372 CE2 TYR A 22 64.387 -4.586 -8.571 1.00 0.16 C ATOM 373 CZ TYR A 22 65.751 -4.676 -8.940 1.00 0.15 C ATOM 374 OH TYR A 22 66.095 -4.943 -10.249 1.00 0.16 O ATOM 0 H TYR A 22 62.312 -5.060 -4.622 1.00 0.10 H new ATOM 0 HA TYR A 22 65.131 -5.775 -4.031 1.00 0.11 H new ATOM 0 HB2 TYR A 22 63.823 -3.137 -4.818 1.00 0.12 H new ATOM 0 HB3 TYR A 22 65.501 -3.302 -4.343 1.00 0.12 H new ATOM 0 HD1 TYR A 22 67.182 -4.078 -5.879 1.00 0.11 H new ATOM 0 HD2 TYR A 22 62.995 -4.241 -6.947 1.00 0.15 H new ATOM 0 HE1 TYR A 22 67.802 -4.561 -8.248 1.00 0.13 H new ATOM 0 HE2 TYR A 22 63.616 -4.727 -9.314 1.00 0.16 H new ATOM 0 HH TYR A 22 65.282 -5.043 -10.787 1.00 0.16 H new ATOM 384 N GLU A 23 65.093 -4.818 -1.697 1.00 0.09 N ATOM 385 CA GLU A 23 65.024 -4.339 -0.316 1.00 0.08 C ATOM 386 C GLU A 23 66.174 -3.380 -0.036 1.00 0.06 C ATOM 387 O GLU A 23 67.301 -3.609 -0.474 1.00 0.07 O ATOM 388 CB GLU A 23 65.096 -5.524 0.653 1.00 0.10 C ATOM 389 CG GLU A 23 64.720 -5.060 2.062 1.00 0.80 C ATOM 390 CD GLU A 23 64.921 -6.197 3.058 1.00 0.96 C ATOM 391 OE1 GLU A 23 65.939 -6.865 2.968 1.00 1.59 O ATOM 392 OE2 GLU A 23 64.055 -6.384 3.896 1.00 1.51 O ATOM 0 H GLU A 23 65.961 -5.296 -1.938 1.00 0.09 H new ATOM 0 HA GLU A 23 64.079 -3.815 -0.174 1.00 0.08 H new ATOM 0 HB2 GLU A 23 64.420 -6.314 0.327 1.00 0.10 H new ATOM 0 HB3 GLU A 23 66.101 -5.945 0.654 1.00 0.10 H new ATOM 0 HG2 GLU A 23 65.332 -4.204 2.347 1.00 0.80 H new ATOM 0 HG3 GLU A 23 63.681 -4.730 2.080 1.00 0.80 H new ATOM 399 N GLY A 24 65.885 -2.320 0.715 1.00 0.06 N ATOM 400 CA GLY A 24 66.898 -1.319 1.037 1.00 0.06 C ATOM 401 C GLY A 24 66.409 -0.400 2.151 1.00 0.06 C ATOM 402 O GLY A 24 65.304 -0.576 2.665 1.00 0.07 O ATOM 0 H GLY A 24 64.963 -2.133 1.110 1.00 0.06 H new ATOM 0 HA2 GLY A 24 67.820 -1.813 1.344 1.00 0.06 H new ATOM 0 HA3 GLY A 24 67.131 -0.731 0.149 1.00 0.06 H new ATOM 406 N ILE A 25 67.236 0.578 2.524 1.00 0.07 N ATOM 407 CA ILE A 25 66.860 1.523 3.576 1.00 0.08 C ATOM 408 C ILE A 25 66.534 2.883 2.966 1.00 0.08 C ATOM 409 O ILE A 25 67.220 3.341 2.050 1.00 0.12 O ATOM 410 CB ILE A 25 67.996 1.685 4.601 1.00 0.09 C ATOM 411 CG1 ILE A 25 68.643 0.322 4.935 1.00 0.14 C ATOM 412 CG2 ILE A 25 67.435 2.309 5.884 1.00 0.12 C ATOM 413 CD1 ILE A 25 67.588 -0.680 5.431 1.00 0.20 C ATOM 0 H ILE A 25 68.159 0.735 2.119 1.00 0.07 H new ATOM 0 HA ILE A 25 65.981 1.128 4.085 1.00 0.08 H new ATOM 0 HB ILE A 25 68.760 2.332 4.170 1.00 0.09 H new ATOM 0 HG12 ILE A 25 69.140 -0.076 4.050 1.00 0.14 H new ATOM 0 HG13 ILE A 25 69.410 0.456 5.698 1.00 0.14 H new ATOM 0 HG21 ILE A 25 68.237 2.425 6.613 1.00 0.12 H new ATOM 0 HG22 ILE A 25 67.007 3.285 5.657 1.00 0.12 H new ATOM 0 HG23 ILE A 25 66.662 1.661 6.296 1.00 0.12 H new ATOM 0 HD11 ILE A 25 68.069 -1.631 5.659 1.00 0.20 H new ATOM 0 HD12 ILE A 25 67.110 -0.290 6.330 1.00 0.20 H new ATOM 0 HD13 ILE A 25 66.836 -0.830 4.656 1.00 0.20 H new ATOM 425 N LEU A 26 65.482 3.522 3.478 1.00 0.07 N ATOM 426 CA LEU A 26 65.064 4.828 2.969 1.00 0.09 C ATOM 427 C LEU A 26 66.126 5.881 3.265 1.00 0.09 C ATOM 428 O LEU A 26 66.313 6.273 4.416 1.00 0.13 O ATOM 429 CB LEU A 26 63.739 5.240 3.614 1.00 0.12 C ATOM 430 CG LEU A 26 63.134 6.417 2.846 1.00 0.19 C ATOM 431 CD1 LEU A 26 62.623 5.936 1.486 1.00 0.25 C ATOM 432 CD2 LEU A 26 61.968 7.002 3.649 1.00 0.21 C ATOM 0 H LEU A 26 64.908 3.160 4.239 1.00 0.07 H new ATOM 0 HA LEU A 26 64.934 4.753 1.889 1.00 0.09 H new ATOM 0 HB2 LEU A 26 63.046 4.398 3.613 1.00 0.12 H new ATOM 0 HB3 LEU A 26 63.902 5.518 4.655 1.00 0.12 H new ATOM 0 HG LEU A 26 63.896 7.182 2.696 1.00 0.19 H new ATOM 0 HD11 LEU A 26 62.193 6.776 0.941 1.00 0.25 H new ATOM 0 HD12 LEU A 26 63.451 5.518 0.913 1.00 0.25 H new ATOM 0 HD13 LEU A 26 61.861 5.171 1.634 1.00 0.25 H new ATOM 0 HD21 LEU A 26 61.535 7.841 3.104 1.00 0.21 H new ATOM 0 HD22 LEU A 26 61.208 6.235 3.798 1.00 0.21 H new ATOM 0 HD23 LEU A 26 62.330 7.347 4.618 1.00 0.21 H new ATOM 444 N TYR A 27 66.815 6.334 2.218 1.00 0.08 N ATOM 445 CA TYR A 27 67.907 7.289 2.383 1.00 0.10 C ATOM 446 C TYR A 27 67.396 8.723 2.265 1.00 0.11 C ATOM 447 O TYR A 27 67.649 9.552 3.140 1.00 0.14 O ATOM 448 CB TYR A 27 68.979 7.035 1.322 1.00 0.10 C ATOM 449 CG TYR A 27 70.219 7.880 1.499 1.00 0.13 C ATOM 450 CD1 TYR A 27 70.918 7.864 2.731 1.00 0.18 C ATOM 451 CD2 TYR A 27 70.682 8.688 0.433 1.00 0.11 C ATOM 452 CE1 TYR A 27 72.079 8.658 2.897 1.00 0.21 C ATOM 453 CE2 TYR A 27 71.843 9.482 0.598 1.00 0.14 C ATOM 454 CZ TYR A 27 72.541 9.467 1.831 1.00 0.19 C ATOM 455 OH TYR A 27 73.673 10.241 1.993 1.00 0.23 O ATOM 0 H TYR A 27 66.637 6.056 1.253 1.00 0.08 H new ATOM 0 HA TYR A 27 68.336 7.155 3.376 1.00 0.10 H new ATOM 0 HB2 TYR A 27 69.261 5.982 1.347 1.00 0.10 H new ATOM 0 HB3 TYR A 27 68.556 7.228 0.336 1.00 0.10 H new ATOM 0 HD1 TYR A 27 70.566 7.246 3.544 1.00 0.18 H new ATOM 0 HD2 TYR A 27 70.150 8.699 -0.507 1.00 0.11 H new ATOM 0 HE1 TYR A 27 72.612 8.646 3.836 1.00 0.21 H new ATOM 0 HE2 TYR A 27 72.196 10.099 -0.215 1.00 0.14 H new ATOM 0 HH TYR A 27 73.853 10.734 1.166 1.00 0.23 H new ATOM 465 N THR A 28 66.676 9.008 1.179 1.00 0.10 N ATOM 466 CA THR A 28 66.170 10.358 0.944 1.00 0.12 C ATOM 467 C THR A 28 64.866 10.322 0.151 1.00 0.11 C ATOM 468 O THR A 28 64.687 9.475 -0.725 1.00 0.09 O ATOM 469 CB THR A 28 67.210 11.179 0.179 1.00 0.14 C ATOM 470 OG1 THR A 28 67.572 10.491 -1.011 1.00 0.12 O ATOM 471 CG2 THR A 28 68.449 11.378 1.054 1.00 0.17 C ATOM 0 H THR A 28 66.433 8.330 0.457 1.00 0.10 H new ATOM 0 HA THR A 28 65.976 10.821 1.911 1.00 0.12 H new ATOM 0 HB THR A 28 66.790 12.152 -0.077 1.00 0.14 H new ATOM 0 HG1 THR A 28 68.237 11.016 -1.503 1.00 0.12 H new ATOM 0 HG21 THR A 28 69.190 11.963 0.508 1.00 0.17 H new ATOM 0 HG22 THR A 28 68.170 11.906 1.966 1.00 0.17 H new ATOM 0 HG23 THR A 28 68.872 10.407 1.312 1.00 0.17 H new ATOM 479 N ILE A 29 63.970 11.263 0.451 1.00 0.13 N ATOM 480 CA ILE A 29 62.683 11.341 -0.239 1.00 0.13 C ATOM 481 C ILE A 29 62.562 12.676 -0.975 1.00 0.12 C ATOM 482 O ILE A 29 62.691 13.739 -0.366 1.00 0.14 O ATOM 483 CB ILE A 29 61.528 11.206 0.769 1.00 0.18 C ATOM 484 CG1 ILE A 29 61.730 9.958 1.638 1.00 0.19 C ATOM 485 CG2 ILE A 29 60.199 11.080 0.019 1.00 0.19 C ATOM 486 CD1 ILE A 29 60.773 10.005 2.832 1.00 0.25 C ATOM 0 H ILE A 29 64.111 11.979 1.164 1.00 0.13 H new ATOM 0 HA ILE A 29 62.627 10.525 -0.959 1.00 0.13 H new ATOM 0 HB ILE A 29 61.512 12.092 1.403 1.00 0.18 H new ATOM 0 HG12 ILE A 29 61.549 9.059 1.049 1.00 0.19 H new ATOM 0 HG13 ILE A 29 62.761 9.908 1.987 1.00 0.19 H new ATOM 0 HG21 ILE A 29 59.384 10.985 0.736 1.00 0.19 H new ATOM 0 HG22 ILE A 29 60.041 11.968 -0.593 1.00 0.19 H new ATOM 0 HG23 ILE A 29 60.224 10.198 -0.621 1.00 0.19 H new ATOM 0 HD11 ILE A 29 60.917 9.118 3.449 1.00 0.25 H new ATOM 0 HD12 ILE A 29 60.975 10.897 3.426 1.00 0.25 H new ATOM 0 HD13 ILE A 29 59.744 10.034 2.473 1.00 0.25 H new ATOM 498 N ASP A 30 62.315 12.613 -2.284 1.00 0.11 N ATOM 499 CA ASP A 30 62.132 13.822 -3.085 1.00 0.11 C ATOM 500 C ASP A 30 60.686 13.919 -3.564 1.00 0.12 C ATOM 501 O ASP A 30 60.323 13.334 -4.584 1.00 0.12 O ATOM 502 CB ASP A 30 63.074 13.798 -4.290 1.00 0.10 C ATOM 503 CG ASP A 30 63.127 15.177 -4.938 1.00 0.11 C ATOM 504 OD1 ASP A 30 63.929 15.985 -4.501 1.00 1.10 O ATOM 505 OD2 ASP A 30 62.363 15.406 -5.862 1.00 1.06 O ATOM 0 H ASP A 30 62.238 11.742 -2.809 1.00 0.11 H new ATOM 0 HA ASP A 30 62.362 14.691 -2.468 1.00 0.11 H new ATOM 0 HB2 ASP A 30 64.073 13.496 -3.975 1.00 0.10 H new ATOM 0 HB3 ASP A 30 62.732 13.059 -5.015 1.00 0.10 H new ATOM 510 N THR A 31 59.866 14.655 -2.813 1.00 0.14 N ATOM 511 CA THR A 31 58.446 14.778 -3.137 1.00 0.16 C ATOM 512 C THR A 31 58.252 15.561 -4.433 1.00 0.16 C ATOM 513 O THR A 31 57.431 15.191 -5.273 1.00 0.17 O ATOM 514 CB THR A 31 57.709 15.486 -1.996 1.00 0.19 C ATOM 515 OG1 THR A 31 58.111 14.923 -0.756 1.00 0.20 O ATOM 516 CG2 THR A 31 56.200 15.309 -2.172 1.00 0.22 C ATOM 0 H THR A 31 60.158 15.171 -1.983 1.00 0.14 H new ATOM 0 HA THR A 31 58.038 13.776 -3.269 1.00 0.16 H new ATOM 0 HB THR A 31 57.951 16.549 -2.011 1.00 0.19 H new ATOM 0 HG1 THR A 31 57.642 15.375 -0.024 1.00 0.20 H new ATOM 0 HG21 THR A 31 55.677 15.813 -1.359 1.00 0.22 H new ATOM 0 HG22 THR A 31 55.892 15.740 -3.124 1.00 0.22 H new ATOM 0 HG23 THR A 31 55.954 14.247 -2.158 1.00 0.22 H new ATOM 524 N GLU A 32 59.068 16.597 -4.625 1.00 0.16 N ATOM 525 CA GLU A 32 58.887 17.517 -5.752 1.00 0.17 C ATOM 526 C GLU A 32 58.954 16.784 -7.095 1.00 0.16 C ATOM 527 O GLU A 32 58.286 17.177 -8.053 1.00 0.18 O ATOM 528 CB GLU A 32 59.962 18.607 -5.713 1.00 0.18 C ATOM 529 CG GLU A 32 59.574 19.747 -6.658 1.00 1.13 C ATOM 530 CD GLU A 32 60.707 20.765 -6.743 1.00 1.44 C ATOM 531 OE1 GLU A 32 61.848 20.345 -6.856 1.00 1.97 O ATOM 532 OE2 GLU A 32 60.418 21.949 -6.694 1.00 1.91 O ATOM 0 H GLU A 32 59.857 16.821 -4.019 1.00 0.16 H new ATOM 0 HA GLU A 32 57.898 17.966 -5.658 1.00 0.17 H new ATOM 0 HB2 GLU A 32 60.073 18.986 -4.697 1.00 0.18 H new ATOM 0 HB3 GLU A 32 60.926 18.191 -6.006 1.00 0.18 H new ATOM 0 HG2 GLU A 32 59.356 19.350 -7.649 1.00 1.13 H new ATOM 0 HG3 GLU A 32 58.665 20.232 -6.302 1.00 1.13 H new ATOM 539 N ASN A 33 59.759 15.721 -7.157 1.00 0.14 N ATOM 540 CA ASN A 33 59.975 15.008 -8.420 1.00 0.15 C ATOM 541 C ASN A 33 59.381 13.593 -8.395 1.00 0.15 C ATOM 542 O ASN A 33 59.693 12.781 -9.266 1.00 0.16 O ATOM 543 CB ASN A 33 61.475 14.919 -8.710 1.00 0.16 C ATOM 544 CG ASN A 33 62.068 16.317 -8.858 1.00 0.19 C ATOM 545 OD1 ASN A 33 61.383 17.244 -9.290 1.00 0.35 O ATOM 546 ND2 ASN A 33 63.313 16.525 -8.525 1.00 0.47 N ATOM 0 H ASN A 33 60.267 15.338 -6.359 1.00 0.14 H new ATOM 0 HA ASN A 33 59.467 15.570 -9.204 1.00 0.15 H new ATOM 0 HB2 ASN A 33 61.978 14.387 -7.903 1.00 0.16 H new ATOM 0 HB3 ASN A 33 61.643 14.347 -9.622 1.00 0.16 H new ATOM 0 HD21 ASN A 33 63.718 17.456 -8.623 1.00 0.47 H new ATOM 0 HD22 ASN A 33 63.880 15.757 -8.167 1.00 0.47 H new ATOM 553 N SER A 34 58.528 13.298 -7.404 1.00 0.15 N ATOM 554 CA SER A 34 57.899 11.975 -7.292 1.00 0.16 C ATOM 555 C SER A 34 58.936 10.846 -7.388 1.00 0.13 C ATOM 556 O SER A 34 58.702 9.823 -8.038 1.00 0.13 O ATOM 557 CB SER A 34 56.839 11.811 -8.388 1.00 0.20 C ATOM 558 OG SER A 34 57.478 11.617 -9.643 1.00 1.14 O ATOM 0 H SER A 34 58.259 13.955 -6.671 1.00 0.15 H new ATOM 0 HA SER A 34 57.426 11.908 -6.312 1.00 0.16 H new ATOM 0 HB2 SER A 34 56.195 10.961 -8.161 1.00 0.20 H new ATOM 0 HB3 SER A 34 56.201 12.694 -8.426 1.00 0.20 H new ATOM 0 HG SER A 34 58.442 11.766 -9.546 1.00 1.14 H new ATOM 564 N THR A 35 60.077 11.034 -6.723 1.00 0.11 N ATOM 565 CA THR A 35 61.169 10.062 -6.797 1.00 0.10 C ATOM 566 C THR A 35 61.687 9.715 -5.404 1.00 0.08 C ATOM 567 O THR A 35 61.667 10.546 -4.496 1.00 0.09 O ATOM 568 CB THR A 35 62.315 10.630 -7.639 1.00 0.10 C ATOM 569 OG1 THR A 35 62.500 12.001 -7.320 1.00 0.13 O ATOM 570 CG2 THR A 35 61.983 10.491 -9.128 1.00 0.13 C ATOM 0 H THR A 35 60.268 11.843 -6.132 1.00 0.11 H new ATOM 0 HA THR A 35 60.785 9.154 -7.262 1.00 0.10 H new ATOM 0 HB THR A 35 63.230 10.078 -7.423 1.00 0.10 H new ATOM 0 HG1 THR A 35 63.234 12.366 -7.857 1.00 0.13 H new ATOM 0 HG21 THR A 35 62.801 10.897 -9.723 1.00 0.13 H new ATOM 0 HG22 THR A 35 61.844 9.438 -9.373 1.00 0.13 H new ATOM 0 HG23 THR A 35 61.067 11.039 -9.349 1.00 0.13 H new ATOM 578 N VAL A 36 62.167 8.481 -5.250 1.00 0.08 N ATOM 579 CA VAL A 36 62.719 8.029 -3.973 1.00 0.08 C ATOM 580 C VAL A 36 64.095 7.402 -4.191 1.00 0.07 C ATOM 581 O VAL A 36 64.300 6.660 -5.154 1.00 0.07 O ATOM 582 CB VAL A 36 61.777 7.005 -3.320 1.00 0.10 C ATOM 583 CG1 VAL A 36 62.267 6.675 -1.907 1.00 0.12 C ATOM 584 CG2 VAL A 36 60.361 7.585 -3.232 1.00 0.12 C ATOM 0 H VAL A 36 62.185 7.779 -5.990 1.00 0.08 H new ATOM 0 HA VAL A 36 62.819 8.889 -3.311 1.00 0.08 H new ATOM 0 HB VAL A 36 61.767 6.099 -3.926 1.00 0.10 H new ATOM 0 HG11 VAL A 36 61.595 5.949 -1.449 1.00 0.12 H new ATOM 0 HG12 VAL A 36 63.272 6.257 -1.959 1.00 0.12 H new ATOM 0 HG13 VAL A 36 62.283 7.584 -1.306 1.00 0.12 H new ATOM 0 HG21 VAL A 36 59.697 6.855 -2.768 1.00 0.12 H new ATOM 0 HG22 VAL A 36 60.377 8.494 -2.631 1.00 0.12 H new ATOM 0 HG23 VAL A 36 60.001 7.818 -4.234 1.00 0.12 H new ATOM 594 N ALA A 37 65.035 7.711 -3.297 1.00 0.06 N ATOM 595 CA ALA A 37 66.386 7.161 -3.391 1.00 0.05 C ATOM 596 C ALA A 37 66.665 6.230 -2.215 1.00 0.05 C ATOM 597 O ALA A 37 66.501 6.617 -1.056 1.00 0.06 O ATOM 598 CB ALA A 37 67.416 8.296 -3.404 1.00 0.07 C ATOM 0 H ALA A 37 64.886 8.336 -2.504 1.00 0.06 H new ATOM 0 HA ALA A 37 66.464 6.593 -4.318 1.00 0.05 H new ATOM 0 HB1 ALA A 37 68.419 7.876 -3.474 1.00 0.07 H new ATOM 0 HB2 ALA A 37 67.233 8.944 -4.261 1.00 0.07 H new ATOM 0 HB3 ALA A 37 67.329 8.877 -2.486 1.00 0.07 H new ATOM 604 N LEU A 38 67.111 5.011 -2.524 1.00 0.05 N ATOM 605 CA LEU A 38 67.414 4.024 -1.489 1.00 0.04 C ATOM 606 C LEU A 38 68.897 3.669 -1.520 1.00 0.04 C ATOM 607 O LEU A 38 69.485 3.530 -2.593 1.00 0.06 O ATOM 608 CB LEU A 38 66.587 2.752 -1.710 1.00 0.05 C ATOM 609 CG LEU A 38 65.093 3.087 -1.706 1.00 0.19 C ATOM 610 CD1 LEU A 38 64.295 1.853 -2.132 1.00 0.09 C ATOM 611 CD2 LEU A 38 64.663 3.504 -0.297 1.00 0.42 C ATOM 0 H LEU A 38 67.269 4.686 -3.478 1.00 0.05 H new ATOM 0 HA LEU A 38 67.163 4.454 -0.519 1.00 0.04 H new ATOM 0 HB2 LEU A 38 66.861 2.291 -2.659 1.00 0.05 H new ATOM 0 HB3 LEU A 38 66.807 2.026 -0.927 1.00 0.05 H new ATOM 0 HG LEU A 38 64.905 3.905 -2.401 1.00 0.19 H new ATOM 0 HD11 LEU A 38 63.231 2.089 -2.130 1.00 0.09 H new ATOM 0 HD12 LEU A 38 64.598 1.552 -3.135 1.00 0.09 H new ATOM 0 HD13 LEU A 38 64.487 1.037 -1.435 1.00 0.09 H new ATOM 0 HD21 LEU A 38 63.599 3.742 -0.297 1.00 0.42 H new ATOM 0 HD22 LEU A 38 64.852 2.686 0.398 1.00 0.42 H new ATOM 0 HD23 LEU A 38 65.231 4.381 0.012 1.00 0.42 H new ATOM 623 N ALA A 39 69.494 3.529 -0.337 1.00 0.04 N ATOM 624 CA ALA A 39 70.900 3.149 -0.236 1.00 0.04 C ATOM 625 C ALA A 39 71.031 1.806 0.474 1.00 0.04 C ATOM 626 O ALA A 39 70.110 1.374 1.170 1.00 0.04 O ATOM 627 CB ALA A 39 71.677 4.217 0.537 1.00 0.06 C ATOM 0 H ALA A 39 69.028 3.672 0.559 1.00 0.04 H new ATOM 0 HA ALA A 39 71.312 3.063 -1.241 1.00 0.04 H new ATOM 0 HB1 ALA A 39 72.725 3.925 0.607 1.00 0.06 H new ATOM 0 HB2 ALA A 39 71.600 5.171 0.016 1.00 0.06 H new ATOM 0 HB3 ALA A 39 71.260 4.316 1.539 1.00 0.06 H new ATOM 633 N LYS A 40 72.170 1.134 0.274 1.00 0.04 N ATOM 634 CA LYS A 40 72.397 -0.187 0.867 1.00 0.05 C ATOM 635 C LYS A 40 71.280 -1.156 0.462 1.00 0.05 C ATOM 636 O LYS A 40 70.624 -1.766 1.311 1.00 0.07 O ATOM 637 CB LYS A 40 72.469 -0.070 2.396 1.00 0.06 C ATOM 638 CG LYS A 40 73.036 -1.364 2.981 1.00 0.98 C ATOM 639 CD LYS A 40 73.051 -1.270 4.508 1.00 1.21 C ATOM 640 CE LYS A 40 73.775 -2.486 5.089 1.00 2.08 C ATOM 641 NZ LYS A 40 74.067 -2.249 6.531 1.00 2.43 N ATOM 0 H LYS A 40 72.945 1.481 -0.291 1.00 0.04 H new ATOM 0 HA LYS A 40 73.344 -0.578 0.496 1.00 0.05 H new ATOM 0 HB2 LYS A 40 73.098 0.775 2.677 1.00 0.06 H new ATOM 0 HB3 LYS A 40 71.476 0.122 2.804 1.00 0.06 H new ATOM 0 HG2 LYS A 40 72.432 -2.214 2.664 1.00 0.98 H new ATOM 0 HG3 LYS A 40 74.046 -1.533 2.606 1.00 0.98 H new ATOM 0 HD2 LYS A 40 73.550 -0.353 4.821 1.00 1.21 H new ATOM 0 HD3 LYS A 40 72.031 -1.224 4.890 1.00 1.21 H new ATOM 0 HE2 LYS A 40 73.160 -3.378 4.974 1.00 2.08 H new ATOM 0 HE3 LYS A 40 74.702 -2.665 4.544 1.00 2.08 H new ATOM 0 HZ1 LYS A 40 74.559 -3.076 6.926 1.00 2.43 H new ATOM 0 HZ2 LYS A 40 74.670 -1.407 6.629 1.00 2.43 H new ATOM 0 HZ3 LYS A 40 73.176 -2.098 7.045 1.00 2.43 H new ATOM 655 N VAL A 41 71.077 -1.291 -0.848 1.00 0.06 N ATOM 656 CA VAL A 41 69.944 -2.052 -1.370 1.00 0.06 C ATOM 657 C VAL A 41 70.438 -3.229 -2.216 1.00 0.09 C ATOM 658 O VAL A 41 71.434 -3.115 -2.932 1.00 0.11 O ATOM 659 CB VAL A 41 69.041 -1.116 -2.197 1.00 0.07 C ATOM 660 CG1 VAL A 41 69.798 -0.597 -3.425 1.00 0.09 C ATOM 661 CG2 VAL A 41 67.777 -1.859 -2.652 1.00 0.08 C ATOM 0 H VAL A 41 71.680 -0.885 -1.564 1.00 0.06 H new ATOM 0 HA VAL A 41 69.364 -2.459 -0.542 1.00 0.06 H new ATOM 0 HB VAL A 41 68.754 -0.273 -1.569 1.00 0.07 H new ATOM 0 HG11 VAL A 41 69.149 0.063 -4.000 1.00 0.09 H new ATOM 0 HG12 VAL A 41 70.681 -0.046 -3.102 1.00 0.09 H new ATOM 0 HG13 VAL A 41 70.103 -1.439 -4.047 1.00 0.09 H new ATOM 0 HG21 VAL A 41 67.149 -1.185 -3.235 1.00 0.08 H new ATOM 0 HG22 VAL A 41 68.059 -2.714 -3.266 1.00 0.08 H new ATOM 0 HG23 VAL A 41 67.224 -2.206 -1.779 1.00 0.08 H new ATOM 671 N ARG A 42 69.739 -4.356 -2.115 1.00 0.11 N ATOM 672 CA ARG A 42 70.093 -5.547 -2.885 1.00 0.15 C ATOM 673 C ARG A 42 68.844 -6.179 -3.497 1.00 0.11 C ATOM 674 O ARG A 42 67.748 -6.059 -2.948 1.00 0.11 O ATOM 675 CB ARG A 42 70.808 -6.565 -1.986 1.00 0.21 C ATOM 676 CG ARG A 42 69.937 -6.899 -0.769 1.00 1.33 C ATOM 677 CD ARG A 42 70.751 -7.721 0.233 1.00 1.29 C ATOM 678 NE ARG A 42 69.902 -8.152 1.345 1.00 2.16 N ATOM 679 CZ ARG A 42 70.410 -8.623 2.494 1.00 2.81 C ATOM 680 NH1 ARG A 42 71.705 -8.722 2.678 1.00 3.55 N ATOM 681 NH2 ARG A 42 69.598 -8.990 3.447 1.00 3.18 N ATOM 0 H ARG A 42 68.926 -4.471 -1.510 1.00 0.11 H new ATOM 0 HA ARG A 42 70.765 -5.250 -3.690 1.00 0.15 H new ATOM 0 HB2 ARG A 42 71.021 -7.473 -2.550 1.00 0.21 H new ATOM 0 HB3 ARG A 42 71.766 -6.162 -1.657 1.00 0.21 H new ATOM 0 HG2 ARG A 42 69.583 -5.981 -0.300 1.00 1.33 H new ATOM 0 HG3 ARG A 42 69.055 -7.458 -1.082 1.00 1.33 H new ATOM 0 HD2 ARG A 42 71.181 -8.591 -0.264 1.00 1.29 H new ATOM 0 HD3 ARG A 42 71.583 -7.127 0.611 1.00 1.29 H new ATOM 0 HE ARG A 42 68.889 -8.092 1.243 1.00 2.16 H new ATOM 0 HH11 ARG A 42 72.348 -8.438 1.939 1.00 3.55 H new ATOM 0 HH12 ARG A 42 72.069 -9.083 3.560 1.00 3.55 H new ATOM 0 HH21 ARG A 42 68.589 -8.917 3.314 1.00 3.18 H new ATOM 0 HH22 ARG A 42 69.972 -9.350 4.325 1.00 3.18 H new ATOM 695 N SER A 43 69.019 -6.839 -4.641 1.00 0.13 N ATOM 696 CA SER A 43 67.907 -7.509 -5.310 1.00 0.13 C ATOM 697 C SER A 43 67.884 -8.991 -4.939 1.00 0.14 C ATOM 698 O SER A 43 68.897 -9.683 -5.063 1.00 0.14 O ATOM 699 CB SER A 43 68.043 -7.345 -6.827 1.00 0.17 C ATOM 700 OG SER A 43 69.053 -8.221 -7.316 1.00 0.20 O ATOM 0 H SER A 43 69.915 -6.923 -5.121 1.00 0.13 H new ATOM 0 HA SER A 43 66.970 -7.056 -4.985 1.00 0.13 H new ATOM 0 HB2 SER A 43 67.092 -7.564 -7.313 1.00 0.17 H new ATOM 0 HB3 SER A 43 68.295 -6.313 -7.070 1.00 0.17 H new ATOM 0 HG SER A 43 69.465 -8.697 -6.565 1.00 0.20 H new ATOM 706 N PHE A 44 66.726 -9.472 -4.486 1.00 0.17 N ATOM 707 CA PHE A 44 66.621 -10.842 -3.986 1.00 0.21 C ATOM 708 C PHE A 44 66.764 -11.847 -5.124 1.00 0.23 C ATOM 709 O PHE A 44 67.409 -12.885 -4.966 1.00 0.26 O ATOM 710 CB PHE A 44 65.272 -11.047 -3.295 1.00 0.25 C ATOM 711 CG PHE A 44 65.155 -10.324 -1.974 1.00 0.31 C ATOM 712 CD1 PHE A 44 66.044 -10.633 -0.916 1.00 0.69 C ATOM 713 CD2 PHE A 44 64.155 -9.338 -1.793 1.00 0.63 C ATOM 714 CE1 PHE A 44 65.933 -9.956 0.323 1.00 0.79 C ATOM 715 CE2 PHE A 44 64.043 -8.661 -0.554 1.00 0.72 C ATOM 716 CZ PHE A 44 64.932 -8.970 0.504 1.00 0.60 C ATOM 0 H PHE A 44 65.856 -8.940 -4.455 1.00 0.17 H new ATOM 0 HA PHE A 44 67.427 -11.004 -3.270 1.00 0.21 H new ATOM 0 HB2 PHE A 44 64.477 -10.706 -3.958 1.00 0.25 H new ATOM 0 HB3 PHE A 44 65.115 -12.113 -3.132 1.00 0.25 H new ATOM 0 HD1 PHE A 44 66.807 -11.385 -1.054 1.00 0.69 H new ATOM 0 HD2 PHE A 44 63.477 -9.102 -2.600 1.00 0.63 H new ATOM 0 HE1 PHE A 44 66.611 -10.191 1.130 1.00 0.79 H new ATOM 0 HE2 PHE A 44 63.280 -7.909 -0.416 1.00 0.72 H new ATOM 0 HZ PHE A 44 64.847 -8.454 1.449 1.00 0.60 H new ATOM 984 N PHE A 62 74.297 -2.647 -4.018 1.00 0.12 N ATOM 985 CA PHE A 62 74.490 -1.334 -4.629 1.00 0.12 C ATOM 986 C PHE A 62 74.365 -0.235 -3.579 1.00 0.10 C ATOM 987 O PHE A 62 73.425 -0.233 -2.781 1.00 0.09 O ATOM 988 CB PHE A 62 73.453 -1.112 -5.728 1.00 0.17 C ATOM 989 CG PHE A 62 73.579 -2.083 -6.879 1.00 0.21 C ATOM 990 CD1 PHE A 62 74.507 -1.830 -7.920 1.00 0.34 C ATOM 991 CD2 PHE A 62 72.771 -3.245 -6.917 1.00 0.29 C ATOM 992 CE1 PHE A 62 74.625 -2.741 -8.998 1.00 0.38 C ATOM 993 CE2 PHE A 62 72.890 -4.155 -7.995 1.00 0.33 C ATOM 994 CZ PHE A 62 73.817 -3.903 -9.036 1.00 0.32 C ATOM 0 HA PHE A 62 75.490 -1.297 -5.062 1.00 0.12 H new ATOM 0 HB2 PHE A 62 72.455 -1.198 -5.298 1.00 0.17 H new ATOM 0 HB3 PHE A 62 73.550 -0.095 -6.108 1.00 0.17 H new ATOM 0 HD1 PHE A 62 75.123 -0.944 -7.891 1.00 0.34 H new ATOM 0 HD2 PHE A 62 72.064 -3.437 -6.124 1.00 0.29 H new ATOM 0 HE1 PHE A 62 75.332 -2.549 -9.792 1.00 0.38 H new ATOM 0 HE2 PHE A 62 72.274 -5.042 -8.024 1.00 0.33 H new ATOM 0 HZ PHE A 62 73.907 -4.597 -9.858 1.00 0.32 H new ATOM 1004 N GLU A 63 75.322 0.692 -3.582 1.00 0.10 N ATOM 1005 CA GLU A 63 75.336 1.776 -2.602 1.00 0.09 C ATOM 1006 C GLU A 63 74.146 2.717 -2.799 1.00 0.09 C ATOM 1007 O GLU A 63 73.538 3.165 -1.826 1.00 0.09 O ATOM 1008 CB GLU A 63 76.640 2.570 -2.719 1.00 0.11 C ATOM 1009 CG GLU A 63 76.808 3.468 -1.491 1.00 1.18 C ATOM 1010 CD GLU A 63 78.026 4.371 -1.666 1.00 1.88 C ATOM 1011 OE1 GLU A 63 78.188 4.911 -2.748 1.00 2.54 O ATOM 1012 OE2 GLU A 63 78.777 4.508 -0.716 1.00 2.36 O ATOM 0 H GLU A 63 76.094 0.714 -4.249 1.00 0.10 H new ATOM 0 HA GLU A 63 75.263 1.332 -1.609 1.00 0.09 H new ATOM 0 HB2 GLU A 63 77.486 1.888 -2.802 1.00 0.11 H new ATOM 0 HB3 GLU A 63 76.629 3.175 -3.625 1.00 0.11 H new ATOM 0 HG2 GLU A 63 75.913 4.074 -1.349 1.00 1.18 H new ATOM 0 HG3 GLU A 63 76.924 2.856 -0.596 1.00 1.18 H new ATOM 1019 N TYR A 64 73.820 3.012 -4.058 1.00 0.10 N ATOM 1020 CA TYR A 64 72.779 3.994 -4.358 1.00 0.10 C ATOM 1021 C TYR A 64 72.024 3.621 -5.633 1.00 0.11 C ATOM 1022 O TYR A 64 72.622 3.485 -6.702 1.00 0.12 O ATOM 1023 CB TYR A 64 73.418 5.374 -4.527 1.00 0.12 C ATOM 1024 CG TYR A 64 72.474 6.524 -4.263 1.00 0.11 C ATOM 1025 CD1 TYR A 64 71.510 6.888 -5.235 1.00 0.13 C ATOM 1026 CD2 TYR A 64 72.559 7.245 -3.047 1.00 0.11 C ATOM 1027 CE1 TYR A 64 70.633 7.971 -4.990 1.00 0.13 C ATOM 1028 CE2 TYR A 64 71.680 8.327 -2.803 1.00 0.11 C ATOM 1029 CZ TYR A 64 70.717 8.690 -3.774 1.00 0.11 C ATOM 1030 OH TYR A 64 69.862 9.747 -3.535 1.00 0.12 O ATOM 0 H TYR A 64 74.256 2.590 -4.878 1.00 0.10 H new ATOM 0 HA TYR A 64 72.069 4.009 -3.531 1.00 0.10 H new ATOM 0 HB2 TYR A 64 74.270 5.454 -3.852 1.00 0.12 H new ATOM 0 HB3 TYR A 64 73.806 5.462 -5.542 1.00 0.12 H new ATOM 0 HD1 TYR A 64 71.444 6.339 -6.163 1.00 0.13 H new ATOM 0 HD2 TYR A 64 73.295 6.969 -2.306 1.00 0.11 H new ATOM 0 HE1 TYR A 64 69.899 8.249 -5.732 1.00 0.13 H new ATOM 0 HE2 TYR A 64 71.744 8.876 -1.875 1.00 0.11 H new ATOM 0 HH TYR A 64 70.053 10.130 -2.653 1.00 0.12 H new ATOM 1040 N ILE A 65 70.705 3.456 -5.510 1.00 0.10 N ATOM 1041 CA ILE A 65 69.846 3.261 -6.680 1.00 0.10 C ATOM 1042 C ILE A 65 68.604 4.147 -6.572 1.00 0.09 C ATOM 1043 O ILE A 65 68.071 4.351 -5.479 1.00 0.08 O ATOM 1044 CB ILE A 65 69.432 1.784 -6.807 1.00 0.12 C ATOM 1045 CG1 ILE A 65 70.691 0.906 -6.874 1.00 0.14 C ATOM 1046 CG2 ILE A 65 68.606 1.580 -8.086 1.00 0.14 C ATOM 1047 CD1 ILE A 65 70.297 -0.576 -6.866 1.00 0.16 C ATOM 0 H ILE A 65 70.211 3.453 -4.618 1.00 0.10 H new ATOM 0 HA ILE A 65 70.406 3.541 -7.572 1.00 0.10 H new ATOM 0 HB ILE A 65 68.831 1.505 -5.941 1.00 0.12 H new ATOM 0 HG12 ILE A 65 71.257 1.136 -7.777 1.00 0.14 H new ATOM 0 HG13 ILE A 65 71.341 1.123 -6.026 1.00 0.14 H new ATOM 0 HG21 ILE A 65 68.317 0.532 -8.169 1.00 0.14 H new ATOM 0 HG22 ILE A 65 67.711 2.201 -8.044 1.00 0.14 H new ATOM 0 HG23 ILE A 65 69.203 1.861 -8.953 1.00 0.14 H new ATOM 0 HD11 ILE A 65 71.195 -1.192 -6.914 1.00 0.16 H new ATOM 0 HD12 ILE A 65 69.750 -0.802 -5.951 1.00 0.16 H new ATOM 0 HD13 ILE A 65 69.665 -0.789 -7.728 1.00 0.16 H new ATOM 1059 N ILE A 66 68.149 4.668 -7.714 1.00 0.09 N ATOM 1060 CA ILE A 66 66.987 5.557 -7.739 1.00 0.08 C ATOM 1061 C ILE A 66 65.815 4.881 -8.451 1.00 0.09 C ATOM 1062 O ILE A 66 65.995 4.227 -9.480 1.00 0.12 O ATOM 1063 CB ILE A 66 67.342 6.869 -8.458 1.00 0.09 C ATOM 1064 CG1 ILE A 66 68.560 7.511 -7.787 1.00 0.10 C ATOM 1065 CG2 ILE A 66 66.162 7.846 -8.381 1.00 0.09 C ATOM 1066 CD1 ILE A 66 69.125 8.607 -8.693 1.00 0.13 C ATOM 0 H ILE A 66 68.565 4.491 -8.628 1.00 0.09 H new ATOM 0 HA ILE A 66 66.697 5.777 -6.712 1.00 0.08 H new ATOM 0 HB ILE A 66 67.566 6.648 -9.502 1.00 0.09 H new ATOM 0 HG12 ILE A 66 68.277 7.932 -6.822 1.00 0.10 H new ATOM 0 HG13 ILE A 66 69.322 6.756 -7.594 1.00 0.10 H new ATOM 0 HG21 ILE A 66 66.423 8.772 -8.893 1.00 0.09 H new ATOM 0 HG22 ILE A 66 65.289 7.401 -8.859 1.00 0.09 H new ATOM 0 HG23 ILE A 66 65.934 8.060 -7.337 1.00 0.09 H new ATOM 0 HD11 ILE A 66 69.992 9.063 -8.215 1.00 0.13 H new ATOM 0 HD12 ILE A 66 69.424 8.172 -9.647 1.00 0.13 H new ATOM 0 HD13 ILE A 66 68.363 9.367 -8.864 1.00 0.13 H new ATOM 1078 N PHE A 67 64.617 5.044 -7.890 1.00 0.08 N ATOM 1079 CA PHE A 67 63.403 4.522 -8.513 1.00 0.10 C ATOM 1080 C PHE A 67 62.336 5.610 -8.585 1.00 0.10 C ATOM 1081 O PHE A 67 62.195 6.410 -7.659 1.00 0.10 O ATOM 1082 CB PHE A 67 62.870 3.335 -7.707 1.00 0.11 C ATOM 1083 CG PHE A 67 63.819 2.161 -7.664 1.00 0.11 C ATOM 1084 CD1 PHE A 67 63.852 1.237 -8.737 1.00 0.13 C ATOM 1085 CD2 PHE A 67 64.675 1.982 -6.549 1.00 0.11 C ATOM 1086 CE1 PHE A 67 64.741 0.135 -8.696 1.00 0.14 C ATOM 1087 CE2 PHE A 67 65.563 0.881 -6.508 1.00 0.12 C ATOM 1088 CZ PHE A 67 65.597 -0.042 -7.581 1.00 0.14 C ATOM 0 H PHE A 67 64.462 5.532 -7.008 1.00 0.08 H new ATOM 0 HA PHE A 67 63.645 4.193 -9.524 1.00 0.10 H new ATOM 0 HB2 PHE A 67 62.663 3.662 -6.688 1.00 0.11 H new ATOM 0 HB3 PHE A 67 61.922 3.010 -8.137 1.00 0.11 H new ATOM 0 HD1 PHE A 67 63.199 1.373 -9.587 1.00 0.13 H new ATOM 0 HD2 PHE A 67 64.650 2.686 -5.730 1.00 0.11 H new ATOM 0 HE1 PHE A 67 64.766 -0.570 -9.514 1.00 0.14 H new ATOM 0 HE2 PHE A 67 66.215 0.745 -5.658 1.00 0.12 H new ATOM 0 HZ PHE A 67 66.276 -0.881 -7.550 1.00 0.14 H new ATOM 1098 N ARG A 68 61.593 5.639 -9.690 1.00 0.10 N ATOM 1099 CA ARG A 68 60.538 6.634 -9.872 1.00 0.11 C ATOM 1100 C ARG A 68 59.170 6.009 -9.611 1.00 0.10 C ATOM 1101 O ARG A 68 58.963 4.823 -9.865 1.00 0.10 O ATOM 1102 CB ARG A 68 60.580 7.193 -11.297 1.00 0.13 C ATOM 1103 CG ARG A 68 61.946 7.832 -11.560 1.00 0.13 C ATOM 1104 CD ARG A 68 61.928 8.540 -12.916 1.00 0.22 C ATOM 1105 NE ARG A 68 61.632 7.584 -13.986 1.00 0.91 N ATOM 1106 CZ ARG A 68 61.266 7.975 -15.216 1.00 1.41 C ATOM 1107 NH1 ARG A 68 61.157 9.246 -15.525 1.00 2.11 N ATOM 1108 NH2 ARG A 68 61.015 7.073 -16.124 1.00 1.62 N ATOM 0 H ARG A 68 61.701 4.989 -10.469 1.00 0.10 H new ATOM 0 HA ARG A 68 60.702 7.445 -9.162 1.00 0.11 H new ATOM 0 HB2 ARG A 68 60.396 6.395 -12.017 1.00 0.13 H new ATOM 0 HB3 ARG A 68 59.790 7.932 -11.432 1.00 0.13 H new ATOM 0 HG2 ARG A 68 62.184 8.544 -10.770 1.00 0.13 H new ATOM 0 HG3 ARG A 68 62.724 7.069 -11.547 1.00 0.13 H new ATOM 0 HD2 ARG A 68 61.180 9.332 -12.910 1.00 0.22 H new ATOM 0 HD3 ARG A 68 62.892 9.014 -13.099 1.00 0.22 H new ATOM 0 HE ARG A 68 61.707 6.586 -13.789 1.00 0.91 H new ATOM 0 HH11 ARG A 68 61.352 9.960 -14.823 1.00 2.11 H new ATOM 0 HH12 ARG A 68 60.877 9.520 -16.467 1.00 2.11 H new ATOM 0 HH21 ARG A 68 61.098 6.082 -15.895 1.00 1.62 H new ATOM 0 HH22 ARG A 68 60.736 7.358 -17.063 1.00 1.62 H new ATOM 1122 N GLY A 69 58.232 6.820 -9.118 1.00 0.11 N ATOM 1123 CA GLY A 69 56.887 6.333 -8.801 1.00 0.11 C ATOM 1124 C GLY A 69 56.220 5.665 -10.009 1.00 0.11 C ATOM 1125 O GLY A 69 55.374 4.784 -9.847 1.00 0.11 O ATOM 0 H GLY A 69 58.377 7.812 -8.930 1.00 0.11 H new ATOM 0 HA2 GLY A 69 56.944 5.621 -7.978 1.00 0.11 H new ATOM 0 HA3 GLY A 69 56.271 7.165 -8.460 1.00 0.11 H new ATOM 1129 N SER A 70 56.606 6.090 -11.213 1.00 0.12 N ATOM 1130 CA SER A 70 56.006 5.556 -12.435 1.00 0.14 C ATOM 1131 C SER A 70 56.369 4.084 -12.630 1.00 0.14 C ATOM 1132 O SER A 70 55.518 3.275 -13.006 1.00 0.17 O ATOM 1133 CB SER A 70 56.481 6.360 -13.646 1.00 0.16 C ATOM 1134 OG SER A 70 56.209 7.739 -13.429 1.00 1.24 O ATOM 0 H SER A 70 57.325 6.797 -11.367 1.00 0.12 H new ATOM 0 HA SER A 70 54.923 5.637 -12.340 1.00 0.14 H new ATOM 0 HB2 SER A 70 57.549 6.208 -13.802 1.00 0.16 H new ATOM 0 HB3 SER A 70 55.975 6.015 -14.548 1.00 0.16 H new ATOM 0 HG SER A 70 56.514 8.258 -14.202 1.00 1.24 H new ATOM 1140 N ASP A 71 57.631 3.742 -12.371 1.00 0.13 N ATOM 1141 CA ASP A 71 58.110 2.380 -12.603 1.00 0.13 C ATOM 1142 C ASP A 71 57.744 1.458 -11.438 1.00 0.12 C ATOM 1143 O ASP A 71 57.510 0.265 -11.635 1.00 0.14 O ATOM 1144 CB ASP A 71 59.631 2.379 -12.809 1.00 0.14 C ATOM 1145 CG ASP A 71 60.337 3.007 -11.609 1.00 0.12 C ATOM 1146 OD1 ASP A 71 60.450 2.337 -10.597 1.00 1.09 O ATOM 1147 OD2 ASP A 71 60.754 4.147 -11.723 1.00 1.07 O ATOM 0 H ASP A 71 58.334 4.383 -12.004 1.00 0.13 H new ATOM 0 HA ASP A 71 57.624 2.004 -13.503 1.00 0.13 H new ATOM 0 HB2 ASP A 71 59.983 1.357 -12.951 1.00 0.14 H new ATOM 0 HB3 ASP A 71 59.881 2.931 -13.715 1.00 0.14 H new ATOM 1152 N ILE A 72 57.699 2.017 -10.228 1.00 0.10 N ATOM 1153 CA ILE A 72 57.354 1.233 -9.040 1.00 0.10 C ATOM 1154 C ILE A 72 55.905 0.747 -9.124 1.00 0.11 C ATOM 1155 O ILE A 72 55.034 1.449 -9.640 1.00 0.12 O ATOM 1156 CB ILE A 72 57.549 2.080 -7.771 1.00 0.11 C ATOM 1157 CG1 ILE A 72 58.995 2.580 -7.703 1.00 0.11 C ATOM 1158 CG2 ILE A 72 57.256 1.235 -6.526 1.00 0.13 C ATOM 1159 CD1 ILE A 72 59.081 3.763 -6.737 1.00 0.12 C ATOM 0 H ILE A 72 57.895 3.001 -10.045 1.00 0.10 H new ATOM 0 HA ILE A 72 58.013 0.366 -8.994 1.00 0.10 H new ATOM 0 HB ILE A 72 56.864 2.928 -7.805 1.00 0.11 H new ATOM 0 HG12 ILE A 72 59.653 1.777 -7.371 1.00 0.11 H new ATOM 0 HG13 ILE A 72 59.334 2.881 -8.694 1.00 0.11 H new ATOM 0 HG21 ILE A 72 57.397 1.843 -5.632 1.00 0.13 H new ATOM 0 HG22 ILE A 72 56.227 0.877 -6.563 1.00 0.13 H new ATOM 0 HG23 ILE A 72 57.936 0.383 -6.496 1.00 0.13 H new ATOM 0 HD11 ILE A 72 60.110 4.119 -6.688 1.00 0.12 H new ATOM 0 HD12 ILE A 72 58.435 4.567 -7.088 1.00 0.12 H new ATOM 0 HD13 ILE A 72 58.759 3.447 -5.745 1.00 0.12 H new ATOM 1171 N LYS A 73 55.662 -0.461 -8.613 1.00 0.13 N ATOM 1172 CA LYS A 73 54.322 -1.041 -8.633 1.00 0.15 C ATOM 1173 C LYS A 73 53.680 -0.961 -7.250 1.00 0.15 C ATOM 1174 O LYS A 73 52.518 -0.571 -7.121 1.00 0.17 O ATOM 1175 CB LYS A 73 54.395 -2.503 -9.080 1.00 0.19 C ATOM 1176 CG LYS A 73 52.991 -3.004 -9.429 1.00 0.22 C ATOM 1177 CD LYS A 73 53.058 -4.486 -9.806 1.00 0.52 C ATOM 1178 CE LYS A 73 51.684 -4.950 -10.293 1.00 0.62 C ATOM 1179 NZ LYS A 73 51.501 -4.556 -11.718 1.00 1.35 N ATOM 0 H LYS A 73 56.373 -1.053 -8.183 1.00 0.13 H new ATOM 0 HA LYS A 73 53.711 -0.474 -9.336 1.00 0.15 H new ATOM 0 HB2 LYS A 73 55.051 -2.597 -9.945 1.00 0.19 H new ATOM 0 HB3 LYS A 73 54.824 -3.115 -8.287 1.00 0.19 H new ATOM 0 HG2 LYS A 73 52.322 -2.863 -8.580 1.00 0.22 H new ATOM 0 HG3 LYS A 73 52.582 -2.425 -10.257 1.00 0.22 H new ATOM 0 HD2 LYS A 73 53.804 -4.641 -10.586 1.00 0.52 H new ATOM 0 HD3 LYS A 73 53.370 -5.078 -8.945 1.00 0.52 H new ATOM 0 HE2 LYS A 73 51.596 -6.032 -10.190 1.00 0.62 H new ATOM 0 HE3 LYS A 73 50.900 -4.507 -9.679 1.00 0.62 H new ATOM 0 HZ1 LYS A 73 50.588 -4.916 -12.063 1.00 1.35 H new ATOM 0 HZ2 LYS A 73 51.516 -3.519 -11.796 1.00 1.35 H new ATOM 0 HZ3 LYS A 73 52.271 -4.958 -12.291 1.00 1.35 H new ATOM 1193 N ASP A 74 54.444 -1.330 -6.222 1.00 0.17 N ATOM 1194 CA ASP A 74 53.918 -1.338 -4.855 1.00 0.21 C ATOM 1195 C ASP A 74 55.015 -1.018 -3.841 1.00 0.18 C ATOM 1196 O ASP A 74 56.181 -1.351 -4.048 1.00 0.15 O ATOM 1197 CB ASP A 74 53.314 -2.708 -4.539 1.00 0.25 C ATOM 1198 CG ASP A 74 52.466 -2.626 -3.275 1.00 0.31 C ATOM 1199 OD1 ASP A 74 52.979 -2.958 -2.218 1.00 1.13 O ATOM 1200 OD2 ASP A 74 51.316 -2.233 -3.381 1.00 1.06 O ATOM 0 H ASP A 74 55.417 -1.624 -6.306 1.00 0.17 H new ATOM 0 HA ASP A 74 53.148 -0.570 -4.784 1.00 0.21 H new ATOM 0 HB2 ASP A 74 52.703 -3.047 -5.375 1.00 0.25 H new ATOM 0 HB3 ASP A 74 54.108 -3.443 -4.407 1.00 0.25 H new ATOM 1205 N LEU A 75 54.621 -0.385 -2.733 1.00 0.21 N ATOM 1206 CA LEU A 75 55.562 -0.044 -1.666 1.00 0.19 C ATOM 1207 C LEU A 75 55.002 -0.477 -0.311 1.00 0.19 C ATOM 1208 O LEU A 75 53.861 -0.158 0.026 1.00 0.22 O ATOM 1209 CB LEU A 75 55.808 1.471 -1.659 1.00 0.23 C ATOM 1210 CG LEU A 75 57.002 1.807 -0.757 1.00 0.23 C ATOM 1211 CD1 LEU A 75 57.638 3.120 -1.220 1.00 0.51 C ATOM 1212 CD2 LEU A 75 56.530 1.961 0.693 1.00 0.45 C ATOM 0 H LEU A 75 53.659 -0.099 -2.553 1.00 0.21 H new ATOM 0 HA LEU A 75 56.502 -0.565 -1.845 1.00 0.19 H new ATOM 0 HB2 LEU A 75 55.999 1.821 -2.673 1.00 0.23 H new ATOM 0 HB3 LEU A 75 54.917 1.990 -1.305 1.00 0.23 H new ATOM 0 HG LEU A 75 57.733 1.001 -0.817 1.00 0.23 H new ATOM 0 HD11 LEU A 75 58.487 3.359 -0.579 1.00 0.51 H new ATOM 0 HD12 LEU A 75 57.979 3.016 -2.250 1.00 0.51 H new ATOM 0 HD13 LEU A 75 56.902 3.922 -1.161 1.00 0.51 H new ATOM 0 HD21 LEU A 75 57.382 2.200 1.330 1.00 0.45 H new ATOM 0 HD22 LEU A 75 55.796 2.764 0.753 1.00 0.45 H new ATOM 0 HD23 LEU A 75 56.076 1.029 1.029 1.00 0.45 H new ATOM 1224 N THR A 76 55.811 -1.205 0.461 1.00 0.17 N ATOM 1225 CA THR A 76 55.400 -1.646 1.794 1.00 0.17 C ATOM 1226 C THR A 76 56.500 -1.363 2.816 1.00 0.16 C ATOM 1227 O THR A 76 57.676 -1.622 2.558 1.00 0.12 O ATOM 1228 CB THR A 76 55.092 -3.145 1.775 1.00 0.19 C ATOM 1229 OG1 THR A 76 54.281 -3.445 0.646 1.00 0.23 O ATOM 1230 CG2 THR A 76 54.350 -3.534 3.055 1.00 0.23 C ATOM 0 H THR A 76 56.749 -1.500 0.188 1.00 0.17 H new ATOM 0 HA THR A 76 54.504 -1.094 2.079 1.00 0.17 H new ATOM 0 HB THR A 76 56.024 -3.706 1.715 1.00 0.19 H new ATOM 0 HG1 THR A 76 54.084 -4.405 0.631 1.00 0.23 H new ATOM 0 HG21 THR A 76 54.132 -4.602 3.039 1.00 0.23 H new ATOM 0 HG22 THR A 76 54.972 -3.304 3.920 1.00 0.23 H new ATOM 0 HG23 THR A 76 53.417 -2.974 3.119 1.00 0.23 H new