USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 400 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 44 SER OG : rot 180:sc=-0.00904 USER MOD Set 1.2: A 57 THR OG1 : rot -131:sc= 1.25 USER MOD Set 2.1: A 32 GLN : amide:sc= 1.1 K(o=0.09,f=-8.1!) USER MOD Set 2.2: A 49 ASN : amide:sc= -1.01 K(o=0.09,f=0.88) USER MOD Set 3.1: A 13 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.38) USER MOD Set 3.2: A 61 SER OG : rot 100:sc=-0.00784 USER MOD Single : A 16 SER OG : rot 0:sc= 1.79 USER MOD Single : A 20 THR OG1 : rot 118:sc= 1.36 USER MOD Single : A 21 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.29! K(o=-2.3!,f=-0.62) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc=-0.00703 (180deg=-0.0988) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.434 K(o=-0.43,f=-5.8!) USER MOD Single : A 41 SER OG : rot -30:sc= 0.409 USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.5) USER MOD Single : A 47 ASN : amide:sc= 0.00412 K(o=0.0041,f=-2!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 154 N ALA A 11 -6.585 -1.317 -13.480 1.00 2.23 N ATOM 155 CA ALA A 11 -6.078 -2.195 -12.435 1.00 34.23 C ATOM 156 C ALA A 11 -4.832 -1.599 -11.794 1.00 25.03 C ATOM 157 O ALA A 11 -4.126 -2.260 -11.032 1.00 72.24 O ATOM 158 CB ALA A 11 -5.772 -3.570 -13.007 1.00 60.44 C ATOM 0 HA ALA A 11 -6.844 -2.298 -11.667 1.00 34.23 H new ATOM 0 HB1 ALA A 11 -5.394 -4.217 -12.216 1.00 60.44 H new ATOM 0 HB2 ALA A 11 -6.682 -4.001 -13.424 1.00 60.44 H new ATOM 0 HB3 ALA A 11 -5.021 -3.479 -13.791 1.00 60.44 H new ATOM 164 N LEU A 12 -4.569 -0.340 -12.105 1.00 43.23 N ATOM 165 CA LEU A 12 -3.405 0.349 -11.570 1.00 31.32 C ATOM 166 C LEU A 12 -3.745 1.033 -10.251 1.00 22.21 C ATOM 167 O LEU A 12 -3.840 2.258 -10.188 1.00 15.42 O ATOM 168 CB LEU A 12 -2.888 1.386 -12.570 1.00 15.24 C ATOM 169 CG LEU A 12 -2.511 0.838 -13.947 1.00 41.52 C ATOM 170 CD1 LEU A 12 -2.072 1.963 -14.865 1.00 21.43 C ATOM 171 CD2 LEU A 12 -1.414 -0.207 -13.828 1.00 65.12 C ATOM 0 H LEU A 12 -5.147 0.227 -12.726 1.00 43.23 H new ATOM 0 HA LEU A 12 -2.626 -0.393 -11.393 1.00 31.32 H new ATOM 0 HB2 LEU A 12 -3.651 2.153 -12.700 1.00 15.24 H new ATOM 0 HB3 LEU A 12 -2.014 1.876 -12.141 1.00 15.24 H new ATOM 0 HG LEU A 12 -3.392 0.363 -14.378 1.00 41.52 H new ATOM 0 HD11 LEU A 12 -1.808 1.555 -15.840 1.00 21.43 H new ATOM 0 HD12 LEU A 12 -2.887 2.678 -14.980 1.00 21.43 H new ATOM 0 HD13 LEU A 12 -1.206 2.466 -14.435 1.00 21.43 H new ATOM 0 HD21 LEU A 12 -1.161 -0.584 -14.819 1.00 65.12 H new ATOM 0 HD22 LEU A 12 -0.531 0.243 -13.374 1.00 65.12 H new ATOM 0 HD23 LEU A 12 -1.762 -1.031 -13.205 1.00 65.12 H new ATOM 183 N ASN A 13 -3.975 0.237 -9.214 1.00 73.15 N ATOM 184 CA ASN A 13 -4.311 0.782 -7.902 1.00 54.15 C ATOM 185 C ASN A 13 -3.281 0.384 -6.853 1.00 50.11 C ATOM 186 O ASN A 13 -2.638 1.232 -6.244 1.00 51.51 O ATOM 187 CB ASN A 13 -5.697 0.304 -7.464 1.00 72.24 C ATOM 188 CG ASN A 13 -6.813 0.827 -8.350 1.00 75.54 C ATOM 189 OD1 ASN A 13 -7.813 0.148 -8.572 1.00 64.20 O ATOM 190 ND2 ASN A 13 -6.653 2.036 -8.860 1.00 32.44 N ATOM 0 H ASN A 13 -3.936 -0.781 -9.254 1.00 73.15 H new ATOM 0 HA ASN A 13 -4.312 1.868 -7.990 1.00 54.15 H new ATOM 0 HB2 ASN A 13 -5.718 -0.786 -7.469 1.00 72.24 H new ATOM 0 HB3 ASN A 13 -5.877 0.622 -6.437 1.00 72.24 H new ATOM 0 HD21 ASN A 13 -7.374 2.436 -9.461 1.00 32.44 H new ATOM 0 HD22 ASN A 13 -5.809 2.569 -8.653 1.00 32.44 H new ATOM 197 N VAL A 14 -3.110 -0.916 -6.661 1.00 62.35 N ATOM 198 CA VAL A 14 -2.233 -1.422 -5.615 1.00 11.23 C ATOM 199 C VAL A 14 -0.912 -1.909 -6.217 1.00 72.25 C ATOM 200 O VAL A 14 -0.442 -3.005 -5.920 1.00 64.04 O ATOM 201 CB VAL A 14 -2.909 -2.566 -4.825 1.00 62.41 C ATOM 202 CG1 VAL A 14 -2.213 -2.786 -3.491 1.00 34.32 C ATOM 203 CG2 VAL A 14 -4.390 -2.278 -4.612 1.00 2.12 C ATOM 0 H VAL A 14 -3.567 -1.640 -7.216 1.00 62.35 H new ATOM 0 HA VAL A 14 -2.029 -0.604 -4.924 1.00 11.23 H new ATOM 0 HB VAL A 14 -2.819 -3.479 -5.414 1.00 62.41 H new ATOM 0 HG11 VAL A 14 -2.706 -3.596 -2.953 1.00 34.32 H new ATOM 0 HG12 VAL A 14 -1.169 -3.048 -3.664 1.00 34.32 H new ATOM 0 HG13 VAL A 14 -2.264 -1.872 -2.899 1.00 34.32 H new ATOM 0 HG21 VAL A 14 -4.843 -3.097 -4.054 1.00 2.12 H new ATOM 0 HG22 VAL A 14 -4.503 -1.350 -4.051 1.00 2.12 H new ATOM 0 HG23 VAL A 14 -4.884 -2.180 -5.579 1.00 2.12 H new ATOM 213 N ARG A 15 -0.311 -1.070 -7.056 1.00 75.13 N ATOM 214 CA ARG A 15 0.858 -1.461 -7.848 1.00 2.43 C ATOM 215 C ARG A 15 2.161 -1.385 -7.042 1.00 4.21 C ATOM 216 O ARG A 15 3.184 -0.934 -7.553 1.00 20.30 O ATOM 217 CB ARG A 15 0.968 -0.569 -9.088 1.00 1.34 C ATOM 218 CG ARG A 15 -0.324 -0.467 -9.883 1.00 32.02 C ATOM 219 CD ARG A 15 -0.817 -1.826 -10.357 1.00 62.13 C ATOM 220 NE ARG A 15 -0.042 -2.342 -11.487 1.00 24.52 N ATOM 221 CZ ARG A 15 -0.326 -3.477 -12.126 1.00 31.02 C ATOM 222 NH1 ARG A 15 -1.350 -4.223 -11.731 1.00 11.35 N ATOM 223 NH2 ARG A 15 0.412 -3.860 -13.163 1.00 41.32 N ATOM 0 H ARG A 15 -0.615 -0.108 -7.208 1.00 75.13 H new ATOM 0 HA ARG A 15 0.715 -2.500 -8.144 1.00 2.43 H new ATOM 0 HB2 ARG A 15 1.275 0.431 -8.780 1.00 1.34 H new ATOM 0 HB3 ARG A 15 1.753 -0.958 -9.736 1.00 1.34 H new ATOM 0 HG2 ARG A 15 -1.092 0.001 -9.267 1.00 32.02 H new ATOM 0 HG3 ARG A 15 -0.168 0.182 -10.745 1.00 32.02 H new ATOM 0 HD2 ARG A 15 -0.765 -2.536 -9.531 1.00 62.13 H new ATOM 0 HD3 ARG A 15 -1.865 -1.748 -10.645 1.00 62.13 H new ATOM 0 HE ARG A 15 0.763 -1.801 -11.804 1.00 24.52 H new ATOM 0 HH11 ARG A 15 -1.920 -3.928 -10.938 1.00 11.35 H new ATOM 0 HH12 ARG A 15 -1.567 -5.091 -12.220 1.00 11.35 H new ATOM 0 HH21 ARG A 15 1.197 -3.285 -13.471 1.00 41.32 H new ATOM 0 HH22 ARG A 15 0.194 -4.729 -13.651 1.00 41.32 H new ATOM 237 N SER A 16 2.112 -1.852 -5.792 1.00 23.44 N ATOM 238 CA SER A 16 3.286 -1.937 -4.902 1.00 62.43 C ATOM 239 C SER A 16 4.021 -0.591 -4.754 1.00 34.32 C ATOM 240 O SER A 16 5.202 -0.553 -4.401 1.00 75.54 O ATOM 241 CB SER A 16 4.263 -3.012 -5.399 1.00 60.35 C ATOM 242 OG SER A 16 4.895 -2.628 -6.614 1.00 2.15 O ATOM 0 H SER A 16 1.251 -2.186 -5.360 1.00 23.44 H new ATOM 0 HA SER A 16 2.909 -2.211 -3.917 1.00 62.43 H new ATOM 0 HB2 SER A 16 5.021 -3.195 -4.637 1.00 60.35 H new ATOM 0 HB3 SER A 16 3.727 -3.950 -5.548 1.00 60.35 H new ATOM 0 HG SER A 16 4.573 -1.743 -6.885 1.00 2.15 H new ATOM 248 N GLY A 17 3.321 0.504 -5.010 1.00 72.21 N ATOM 249 CA GLY A 17 3.939 1.814 -4.933 1.00 54.02 C ATOM 250 C GLY A 17 4.111 2.432 -6.300 1.00 63.03 C ATOM 251 O GLY A 17 3.123 2.711 -6.981 1.00 12.34 O ATOM 0 H GLY A 17 2.335 0.510 -5.270 1.00 72.21 H new ATOM 0 HA2 GLY A 17 3.328 2.469 -4.312 1.00 54.02 H new ATOM 0 HA3 GLY A 17 4.911 1.730 -4.447 1.00 54.02 H new ATOM 255 N GLU A 18 5.358 2.645 -6.697 1.00 52.54 N ATOM 256 CA GLU A 18 5.661 3.150 -8.031 1.00 45.44 C ATOM 257 C GLU A 18 5.566 1.998 -9.020 1.00 41.23 C ATOM 258 O GLU A 18 4.626 1.893 -9.809 1.00 42.33 O ATOM 259 CB GLU A 18 7.083 3.723 -8.082 1.00 64.45 C ATOM 260 CG GLU A 18 7.531 4.434 -6.814 1.00 73.22 C ATOM 261 CD GLU A 18 6.804 5.736 -6.568 1.00 12.51 C ATOM 262 OE1 GLU A 18 7.256 6.778 -7.089 1.00 72.20 O ATOM 263 OE2 GLU A 18 5.793 5.730 -5.843 1.00 21.33 O ATOM 0 H GLU A 18 6.178 2.476 -6.114 1.00 52.54 H new ATOM 0 HA GLU A 18 4.951 3.939 -8.281 1.00 45.44 H new ATOM 0 HB2 GLU A 18 7.779 2.911 -8.292 1.00 64.45 H new ATOM 0 HB3 GLU A 18 7.148 4.422 -8.916 1.00 64.45 H new ATOM 0 HG2 GLU A 18 7.376 3.773 -5.961 1.00 73.22 H new ATOM 0 HG3 GLU A 18 8.602 4.630 -6.875 1.00 73.22 H new ATOM 270 N GLY A 19 6.557 1.130 -8.935 1.00 51.42 N ATOM 271 CA GLY A 19 6.596 -0.083 -9.716 1.00 30.05 C ATOM 272 C GLY A 19 7.547 -1.061 -9.072 1.00 64.03 C ATOM 273 O GLY A 19 8.173 -1.879 -9.741 1.00 51.42 O ATOM 0 H GLY A 19 7.360 1.251 -8.318 1.00 51.42 H new ATOM 0 HA2 GLY A 19 5.599 -0.518 -9.783 1.00 30.05 H new ATOM 0 HA3 GLY A 19 6.917 0.137 -10.734 1.00 30.05 H new ATOM 277 N THR A 20 7.630 -0.949 -7.748 1.00 64.53 N ATOM 278 CA THR A 20 8.603 -1.667 -6.933 1.00 65.11 C ATOM 279 C THR A 20 8.571 -3.169 -7.196 1.00 34.44 C ATOM 280 O THR A 20 9.608 -3.789 -7.437 1.00 22.44 O ATOM 281 CB THR A 20 8.318 -1.409 -5.443 1.00 72.50 C ATOM 282 OG1 THR A 20 7.742 -0.104 -5.285 1.00 53.42 O ATOM 283 CG2 THR A 20 9.596 -1.507 -4.619 1.00 44.25 C ATOM 0 H THR A 20 7.012 -0.347 -7.204 1.00 64.53 H new ATOM 0 HA THR A 20 9.593 -1.299 -7.202 1.00 65.11 H new ATOM 0 HB THR A 20 7.621 -2.168 -5.087 1.00 72.50 H new ATOM 0 HG1 THR A 20 6.842 -0.187 -4.907 1.00 53.42 H new ATOM 0 HG21 THR A 20 9.368 -1.321 -3.570 1.00 44.25 H new ATOM 0 HG22 THR A 20 10.022 -2.504 -4.726 1.00 44.25 H new ATOM 0 HG23 THR A 20 10.314 -0.766 -4.971 1.00 44.25 H new ATOM 291 N ASN A 21 7.377 -3.742 -7.144 1.00 40.30 N ATOM 292 CA ASN A 21 7.188 -5.168 -7.351 1.00 40.51 C ATOM 293 C ASN A 21 5.702 -5.449 -7.551 1.00 12.45 C ATOM 294 O ASN A 21 5.083 -6.187 -6.788 1.00 5.41 O ATOM 295 CB ASN A 21 7.726 -5.951 -6.148 1.00 21.53 C ATOM 296 CG ASN A 21 7.758 -7.448 -6.388 1.00 31.40 C ATOM 297 OD1 ASN A 21 7.896 -7.903 -7.524 1.00 61.23 O ATOM 298 ND2 ASN A 21 7.655 -8.218 -5.319 1.00 72.31 N ATOM 0 H ASN A 21 6.514 -3.231 -6.957 1.00 40.30 H new ATOM 0 HA ASN A 21 7.737 -5.487 -8.237 1.00 40.51 H new ATOM 0 HB2 ASN A 21 8.732 -5.603 -5.915 1.00 21.53 H new ATOM 0 HB3 ASN A 21 7.106 -5.740 -5.277 1.00 21.53 H new ATOM 0 HD21 ASN A 21 7.689 -9.233 -5.416 1.00 72.31 H new ATOM 0 HD22 ASN A 21 7.542 -7.798 -4.397 1.00 72.31 H new ATOM 305 N TYR A 22 5.132 -4.846 -8.589 1.00 60.25 N ATOM 306 CA TYR A 22 3.687 -4.899 -8.821 1.00 24.32 C ATOM 307 C TYR A 22 3.248 -6.263 -9.349 1.00 61.45 C ATOM 308 O TYR A 22 2.089 -6.458 -9.713 1.00 45.32 O ATOM 309 CB TYR A 22 3.255 -3.783 -9.779 1.00 74.31 C ATOM 310 CG TYR A 22 3.914 -3.824 -11.138 1.00 42.34 C ATOM 311 CD1 TYR A 22 5.120 -3.174 -11.367 1.00 51.51 C ATOM 312 CD2 TYR A 22 3.320 -4.499 -12.193 1.00 5.31 C ATOM 313 CE1 TYR A 22 5.716 -3.202 -12.612 1.00 75.00 C ATOM 314 CE2 TYR A 22 3.905 -4.527 -13.440 1.00 24.50 C ATOM 315 CZ TYR A 22 5.103 -3.877 -13.645 1.00 60.02 C ATOM 316 OH TYR A 22 5.684 -3.903 -14.888 1.00 15.44 O ATOM 0 H TYR A 22 5.649 -4.312 -9.288 1.00 60.25 H new ATOM 0 HA TYR A 22 3.194 -4.747 -7.861 1.00 24.32 H new ATOM 0 HB2 TYR A 22 2.175 -3.836 -9.913 1.00 74.31 H new ATOM 0 HB3 TYR A 22 3.471 -2.821 -9.315 1.00 74.31 H new ATOM 0 HD1 TYR A 22 5.598 -2.639 -10.560 1.00 51.51 H new ATOM 0 HD2 TYR A 22 2.383 -5.012 -12.035 1.00 5.31 H new ATOM 0 HE1 TYR A 22 6.657 -2.698 -12.775 1.00 75.00 H new ATOM 0 HE2 TYR A 22 3.428 -5.055 -14.252 1.00 24.50 H new ATOM 0 HH TYR A 22 5.123 -4.423 -15.501 1.00 15.44 H new ATOM 326 N ARG A 23 4.180 -7.202 -9.371 1.00 30.31 N ATOM 327 CA ARG A 23 3.887 -8.565 -9.770 1.00 51.24 C ATOM 328 C ARG A 23 3.143 -9.294 -8.648 1.00 12.31 C ATOM 329 O ARG A 23 2.406 -10.249 -8.896 1.00 10.42 O ATOM 330 CB ARG A 23 5.192 -9.292 -10.122 1.00 62.34 C ATOM 331 CG ARG A 23 4.997 -10.724 -10.597 1.00 54.54 C ATOM 332 CD ARG A 23 6.311 -11.355 -11.028 1.00 33.43 C ATOM 333 NE ARG A 23 7.289 -11.398 -9.937 1.00 62.45 N ATOM 334 CZ ARG A 23 8.528 -11.869 -10.058 1.00 35.33 C ATOM 335 NH1 ARG A 23 8.940 -12.395 -11.205 1.00 74.40 N ATOM 336 NH2 ARG A 23 9.353 -11.833 -9.016 1.00 40.43 N ATOM 0 H ARG A 23 5.154 -7.041 -9.114 1.00 30.31 H new ATOM 0 HA ARG A 23 3.246 -8.554 -10.651 1.00 51.24 H new ATOM 0 HB2 ARG A 23 5.710 -8.730 -10.899 1.00 62.34 H new ATOM 0 HB3 ARG A 23 5.841 -9.296 -9.246 1.00 62.34 H new ATOM 0 HG2 ARG A 23 4.554 -11.316 -9.796 1.00 54.54 H new ATOM 0 HG3 ARG A 23 4.295 -10.739 -11.431 1.00 54.54 H new ATOM 0 HD2 ARG A 23 6.125 -12.367 -11.387 1.00 33.43 H new ATOM 0 HD3 ARG A 23 6.726 -10.791 -11.864 1.00 33.43 H new ATOM 0 HE ARG A 23 7.001 -11.044 -9.025 1.00 62.45 H new ATOM 0 HH11 ARG A 23 8.305 -12.441 -12.002 1.00 74.40 H new ATOM 0 HH12 ARG A 23 9.891 -12.754 -11.289 1.00 74.40 H new ATOM 0 HH21 ARG A 23 9.036 -11.445 -8.127 1.00 40.43 H new ATOM 0 HH22 ARG A 23 10.303 -12.193 -9.105 1.00 40.43 H new ATOM 350 N ILE A 24 3.321 -8.822 -7.415 1.00 14.25 N ATOM 351 CA ILE A 24 2.674 -9.445 -6.261 1.00 41.25 C ATOM 352 C ILE A 24 1.212 -9.025 -6.139 1.00 74.02 C ATOM 353 O ILE A 24 0.335 -9.860 -5.920 1.00 73.45 O ATOM 354 CB ILE A 24 3.406 -9.130 -4.932 1.00 44.51 C ATOM 355 CG1 ILE A 24 3.504 -7.621 -4.696 1.00 34.22 C ATOM 356 CG2 ILE A 24 4.789 -9.745 -4.938 1.00 23.22 C ATOM 357 CD1 ILE A 24 4.188 -7.246 -3.398 1.00 60.24 C ATOM 0 H ILE A 24 3.904 -8.016 -7.190 1.00 14.25 H new ATOM 0 HA ILE A 24 2.725 -10.519 -6.437 1.00 41.25 H new ATOM 0 HB ILE A 24 2.825 -9.563 -4.118 1.00 44.51 H new ATOM 0 HG12 ILE A 24 4.047 -7.168 -5.525 1.00 34.22 H new ATOM 0 HG13 ILE A 24 2.500 -7.196 -4.702 1.00 34.22 H new ATOM 0 HG21 ILE A 24 5.293 -9.516 -3.999 1.00 23.22 H new ATOM 0 HG22 ILE A 24 4.706 -10.826 -5.052 1.00 23.22 H new ATOM 0 HG23 ILE A 24 5.365 -9.336 -5.768 1.00 23.22 H new ATOM 0 HD11 ILE A 24 4.219 -6.161 -3.303 1.00 60.24 H new ATOM 0 HD12 ILE A 24 3.634 -7.668 -2.560 1.00 60.24 H new ATOM 0 HD13 ILE A 24 5.205 -7.639 -3.396 1.00 60.24 H new ATOM 369 N ILE A 25 0.952 -7.732 -6.294 1.00 73.02 N ATOM 370 CA ILE A 25 -0.387 -7.194 -6.117 1.00 51.24 C ATOM 371 C ILE A 25 -0.735 -6.276 -7.281 1.00 30.33 C ATOM 372 O ILE A 25 0.101 -5.495 -7.739 1.00 54.43 O ATOM 373 CB ILE A 25 -0.517 -6.400 -4.794 1.00 65.50 C ATOM 374 CG1 ILE A 25 0.147 -7.144 -3.637 1.00 41.42 C ATOM 375 CG2 ILE A 25 -1.976 -6.136 -4.485 1.00 13.21 C ATOM 376 CD1 ILE A 25 0.425 -6.257 -2.442 1.00 74.43 C ATOM 0 H ILE A 25 1.655 -7.036 -6.543 1.00 73.02 H new ATOM 0 HA ILE A 25 -1.076 -8.038 -6.081 1.00 51.24 H new ATOM 0 HB ILE A 25 -0.003 -5.447 -4.918 1.00 65.50 H new ATOM 0 HG12 ILE A 25 -0.494 -7.969 -3.328 1.00 41.42 H new ATOM 0 HG13 ILE A 25 1.084 -7.581 -3.984 1.00 41.42 H new ATOM 0 HG21 ILE A 25 -2.055 -5.577 -3.553 1.00 13.21 H new ATOM 0 HG22 ILE A 25 -2.420 -5.556 -5.294 1.00 13.21 H new ATOM 0 HG23 ILE A 25 -2.504 -7.084 -4.386 1.00 13.21 H new ATOM 0 HD11 ILE A 25 0.897 -6.845 -1.655 1.00 74.43 H new ATOM 0 HD12 ILE A 25 1.090 -5.446 -2.738 1.00 74.43 H new ATOM 0 HD13 ILE A 25 -0.512 -5.841 -2.072 1.00 74.43 H new ATOM 388 N GLY A 26 -1.959 -6.384 -7.768 1.00 51.22 N ATOM 389 CA GLY A 26 -2.387 -5.562 -8.873 1.00 61.32 C ATOM 390 C GLY A 26 -3.465 -4.584 -8.467 1.00 55.24 C ATOM 391 O GLY A 26 -3.206 -3.387 -8.305 1.00 43.11 O ATOM 0 H GLY A 26 -2.665 -7.030 -7.415 1.00 51.22 H new ATOM 0 HA2 GLY A 26 -1.532 -5.015 -9.270 1.00 61.32 H new ATOM 0 HA3 GLY A 26 -2.759 -6.199 -9.676 1.00 61.32 H new ATOM 395 N ALA A 27 -4.675 -5.089 -8.297 1.00 44.41 N ATOM 396 CA ALA A 27 -5.795 -4.265 -7.887 1.00 43.42 C ATOM 397 C ALA A 27 -6.784 -5.073 -7.064 1.00 30.23 C ATOM 398 O ALA A 27 -7.561 -5.859 -7.606 1.00 24.51 O ATOM 399 CB ALA A 27 -6.489 -3.662 -9.101 1.00 43.54 C ATOM 0 H ALA A 27 -4.906 -6.072 -8.438 1.00 44.41 H new ATOM 0 HA ALA A 27 -5.411 -3.455 -7.268 1.00 43.42 H new ATOM 0 HB1 ALA A 27 -7.327 -3.047 -8.773 1.00 43.54 H new ATOM 0 HB2 ALA A 27 -5.782 -3.046 -9.656 1.00 43.54 H new ATOM 0 HB3 ALA A 27 -6.856 -4.461 -9.745 1.00 43.54 H new ATOM 405 N LEU A 28 -6.727 -4.902 -5.754 1.00 33.31 N ATOM 406 CA LEU A 28 -7.688 -5.529 -4.860 1.00 0.23 C ATOM 407 C LEU A 28 -8.068 -4.550 -3.756 1.00 35.21 C ATOM 408 O LEU A 28 -7.574 -4.637 -2.633 1.00 43.22 O ATOM 409 CB LEU A 28 -7.126 -6.825 -4.264 1.00 13.04 C ATOM 410 CG LEU A 28 -8.102 -7.615 -3.386 1.00 4.42 C ATOM 411 CD1 LEU A 28 -9.320 -8.047 -4.192 1.00 50.30 C ATOM 412 CD2 LEU A 28 -7.409 -8.822 -2.771 1.00 32.21 C ATOM 0 H LEU A 28 -6.023 -4.332 -5.284 1.00 33.31 H new ATOM 0 HA LEU A 28 -8.579 -5.790 -5.431 1.00 0.23 H new ATOM 0 HB2 LEU A 28 -6.794 -7.467 -5.080 1.00 13.04 H new ATOM 0 HB3 LEU A 28 -6.244 -6.581 -3.671 1.00 13.04 H new ATOM 0 HG LEU A 28 -8.441 -6.966 -2.579 1.00 4.42 H new ATOM 0 HD11 LEU A 28 -10.001 -8.607 -3.551 1.00 50.30 H new ATOM 0 HD12 LEU A 28 -9.830 -7.166 -4.581 1.00 50.30 H new ATOM 0 HD13 LEU A 28 -9.002 -8.678 -5.022 1.00 50.30 H new ATOM 0 HD21 LEU A 28 -8.117 -9.371 -2.151 1.00 32.21 H new ATOM 0 HD22 LEU A 28 -7.040 -9.473 -3.564 1.00 32.21 H new ATOM 0 HD23 LEU A 28 -6.572 -8.488 -2.157 1.00 32.21 H new ATOM 424 N PRO A 29 -8.907 -3.561 -4.088 1.00 0.24 N ATOM 425 CA PRO A 29 -9.358 -2.546 -3.145 1.00 43.01 C ATOM 426 C PRO A 29 -10.480 -3.073 -2.259 1.00 63.35 C ATOM 427 O PRO A 29 -11.555 -3.421 -2.755 1.00 43.11 O ATOM 428 CB PRO A 29 -9.857 -1.404 -4.049 1.00 55.04 C ATOM 429 CG PRO A 29 -9.578 -1.843 -5.454 1.00 34.45 C ATOM 430 CD PRO A 29 -9.491 -3.336 -5.410 1.00 0.54 C ATOM 0 HA PRO A 29 -8.571 -2.231 -2.460 1.00 43.01 H new ATOM 0 HB2 PRO A 29 -10.922 -1.224 -3.900 1.00 55.04 H new ATOM 0 HB3 PRO A 29 -9.341 -0.471 -3.821 1.00 55.04 H new ATOM 0 HG2 PRO A 29 -10.370 -1.518 -6.129 1.00 34.45 H new ATOM 0 HG3 PRO A 29 -8.648 -1.409 -5.821 1.00 34.45 H new ATOM 0 HD2 PRO A 29 -10.469 -3.806 -5.511 1.00 0.54 H new ATOM 0 HD3 PRO A 29 -8.863 -3.733 -6.208 1.00 0.54 H new ATOM 438 N GLN A 30 -10.207 -3.117 -0.953 1.00 60.50 N ATOM 439 CA GLN A 30 -11.113 -3.703 0.037 1.00 63.23 C ATOM 440 C GLN A 30 -11.058 -5.228 -0.044 1.00 40.13 C ATOM 441 O GLN A 30 -11.461 -5.835 -1.038 1.00 3.53 O ATOM 442 CB GLN A 30 -12.552 -3.174 -0.129 1.00 23.23 C ATOM 443 CG GLN A 30 -13.526 -3.635 0.949 1.00 54.32 C ATOM 444 CD GLN A 30 -14.161 -4.985 0.656 1.00 5.42 C ATOM 445 OE1 GLN A 30 -14.482 -5.740 1.571 1.00 14.42 O ATOM 446 NE2 GLN A 30 -14.361 -5.290 -0.617 1.00 74.15 N ATOM 0 H GLN A 30 -9.347 -2.745 -0.551 1.00 60.50 H new ATOM 0 HA GLN A 30 -10.782 -3.401 1.031 1.00 63.23 H new ATOM 0 HB2 GLN A 30 -12.526 -2.084 -0.135 1.00 23.23 H new ATOM 0 HB3 GLN A 30 -12.931 -3.489 -1.101 1.00 23.23 H new ATOM 0 HG2 GLN A 30 -13.001 -3.689 1.903 1.00 54.32 H new ATOM 0 HG3 GLN A 30 -14.313 -2.889 1.060 1.00 54.32 H new ATOM 0 HE21 GLN A 30 -14.081 -4.636 -1.348 1.00 74.15 H new ATOM 0 HE22 GLN A 30 -14.796 -6.178 -0.866 1.00 74.15 H new ATOM 455 N GLY A 31 -10.540 -5.836 1.010 1.00 23.42 N ATOM 456 CA GLY A 31 -10.375 -7.273 1.041 1.00 20.23 C ATOM 457 C GLY A 31 -9.923 -7.745 2.404 1.00 31.14 C ATOM 458 O GLY A 31 -10.520 -8.645 2.991 1.00 42.11 O ATOM 0 H GLY A 31 -10.228 -5.354 1.853 1.00 23.42 H new ATOM 0 HA2 GLY A 31 -11.317 -7.755 0.781 1.00 20.23 H new ATOM 0 HA3 GLY A 31 -9.645 -7.574 0.289 1.00 20.23 H new ATOM 462 N GLN A 32 -8.863 -7.130 2.912 1.00 5.44 N ATOM 463 CA GLN A 32 -8.392 -7.411 4.260 1.00 52.14 C ATOM 464 C GLN A 32 -8.079 -6.104 4.979 1.00 54.04 C ATOM 465 O GLN A 32 -8.928 -5.543 5.667 1.00 24.44 O ATOM 466 CB GLN A 32 -7.139 -8.289 4.231 1.00 60.10 C ATOM 467 CG GLN A 32 -7.286 -9.558 3.413 1.00 43.32 C ATOM 468 CD GLN A 32 -6.001 -10.347 3.355 1.00 13.13 C ATOM 469 OE1 GLN A 32 -5.163 -10.113 2.489 1.00 33.43 O ATOM 470 NE2 GLN A 32 -5.840 -11.287 4.270 1.00 4.32 N ATOM 0 H GLN A 32 -8.313 -6.433 2.410 1.00 5.44 H new ATOM 0 HA GLN A 32 -9.179 -7.946 4.792 1.00 52.14 H new ATOM 0 HB2 GLN A 32 -6.310 -7.706 3.830 1.00 60.10 H new ATOM 0 HB3 GLN A 32 -6.874 -8.558 5.254 1.00 60.10 H new ATOM 0 HG2 GLN A 32 -8.072 -10.178 3.844 1.00 43.32 H new ATOM 0 HG3 GLN A 32 -7.600 -9.302 2.401 1.00 43.32 H new ATOM 0 HE21 GLN A 32 -6.564 -11.446 4.971 1.00 4.32 H new ATOM 0 HE22 GLN A 32 -4.992 -11.853 4.275 1.00 4.32 H new ATOM 479 N LYS A 33 -6.862 -5.610 4.785 1.00 10.22 N ATOM 480 CA LYS A 33 -6.447 -4.339 5.360 1.00 32.13 C ATOM 481 C LYS A 33 -5.884 -3.445 4.265 1.00 3.12 C ATOM 482 O LYS A 33 -5.284 -2.402 4.528 1.00 15.32 O ATOM 483 CB LYS A 33 -5.394 -4.560 6.449 1.00 74.50 C ATOM 484 CG LYS A 33 -5.819 -5.543 7.525 1.00 1.43 C ATOM 485 CD LYS A 33 -4.743 -5.709 8.583 1.00 31.11 C ATOM 486 CE LYS A 33 -5.113 -6.785 9.588 1.00 63.54 C ATOM 487 NZ LYS A 33 -6.370 -6.470 10.317 1.00 32.55 N ATOM 0 H LYS A 33 -6.143 -6.074 4.231 1.00 10.22 H new ATOM 0 HA LYS A 33 -7.314 -3.857 5.812 1.00 32.13 H new ATOM 0 HB2 LYS A 33 -4.475 -4.919 5.985 1.00 74.50 H new ATOM 0 HB3 LYS A 33 -5.162 -3.603 6.916 1.00 74.50 H new ATOM 0 HG2 LYS A 33 -6.740 -5.196 7.993 1.00 1.43 H new ATOM 0 HG3 LYS A 33 -6.036 -6.510 7.071 1.00 1.43 H new ATOM 0 HD2 LYS A 33 -3.798 -5.966 8.105 1.00 31.11 H new ATOM 0 HD3 LYS A 33 -4.591 -4.762 9.101 1.00 31.11 H new ATOM 0 HE2 LYS A 33 -5.225 -7.738 9.071 1.00 63.54 H new ATOM 0 HE3 LYS A 33 -4.300 -6.904 10.305 1.00 63.54 H new ATOM 0 HZ1 LYS A 33 -6.518 -7.170 11.072 1.00 32.55 H new ATOM 0 HZ2 LYS A 33 -6.300 -5.520 10.735 1.00 32.55 H new ATOM 0 HZ3 LYS A 33 -7.172 -6.499 9.655 1.00 32.55 H new ATOM 501 N VAL A 34 -6.074 -3.873 3.027 1.00 71.25 N ATOM 502 CA VAL A 34 -5.605 -3.120 1.881 1.00 75.51 C ATOM 503 C VAL A 34 -6.641 -2.068 1.474 1.00 43.42 C ATOM 504 O VAL A 34 -7.489 -2.286 0.607 1.00 1.44 O ATOM 505 CB VAL A 34 -5.240 -4.061 0.701 1.00 34.45 C ATOM 506 CG1 VAL A 34 -6.392 -4.999 0.354 1.00 5.44 C ATOM 507 CG2 VAL A 34 -4.793 -3.264 -0.518 1.00 61.20 C ATOM 0 H VAL A 34 -6.553 -4.743 2.792 1.00 71.25 H new ATOM 0 HA VAL A 34 -4.691 -2.596 2.162 1.00 75.51 H new ATOM 0 HB VAL A 34 -4.402 -4.679 1.023 1.00 34.45 H new ATOM 0 HG11 VAL A 34 -6.100 -5.642 -0.476 1.00 5.44 H new ATOM 0 HG12 VAL A 34 -6.635 -5.613 1.221 1.00 5.44 H new ATOM 0 HG13 VAL A 34 -7.265 -4.413 0.069 1.00 5.44 H new ATOM 0 HG21 VAL A 34 -4.544 -3.948 -1.329 1.00 61.20 H new ATOM 0 HG22 VAL A 34 -5.599 -2.603 -0.836 1.00 61.20 H new ATOM 0 HG23 VAL A 34 -3.916 -2.670 -0.262 1.00 61.20 H new ATOM 517 N GLN A 35 -6.592 -0.940 2.168 1.00 11.42 N ATOM 518 CA GLN A 35 -7.499 0.168 1.914 1.00 65.43 C ATOM 519 C GLN A 35 -6.926 1.447 2.528 1.00 1.14 C ATOM 520 O GLN A 35 -7.636 2.210 3.179 1.00 31.01 O ATOM 521 CB GLN A 35 -8.894 -0.142 2.485 1.00 14.03 C ATOM 522 CG GLN A 35 -9.967 0.860 2.080 1.00 32.34 C ATOM 523 CD GLN A 35 -11.336 0.520 2.643 1.00 62.40 C ATOM 524 OE1 GLN A 35 -11.675 -0.650 2.835 1.00 41.35 O ATOM 525 NE2 GLN A 35 -12.126 1.544 2.924 1.00 22.32 N ATOM 0 H GLN A 35 -5.925 -0.768 2.920 1.00 11.42 H new ATOM 0 HA GLN A 35 -7.603 0.313 0.839 1.00 65.43 H new ATOM 0 HB2 GLN A 35 -9.197 -1.136 2.156 1.00 14.03 H new ATOM 0 HB3 GLN A 35 -8.831 -0.172 3.573 1.00 14.03 H new ATOM 0 HG2 GLN A 35 -9.676 1.854 2.421 1.00 32.34 H new ATOM 0 HG3 GLN A 35 -10.027 0.901 0.992 1.00 32.34 H new ATOM 0 HE21 GLN A 35 -11.807 2.497 2.750 1.00 22.32 H new ATOM 0 HE22 GLN A 35 -13.054 1.380 3.315 1.00 22.32 H new ATOM 534 N VAL A 36 -5.619 1.646 2.312 1.00 70.30 N ATOM 535 CA VAL A 36 -4.871 2.822 2.794 1.00 3.21 C ATOM 536 C VAL A 36 -5.206 3.198 4.245 1.00 62.14 C ATOM 537 O VAL A 36 -6.068 4.036 4.516 1.00 34.52 O ATOM 538 CB VAL A 36 -4.999 4.055 1.847 1.00 54.30 C ATOM 539 CG1 VAL A 36 -4.371 3.744 0.500 1.00 33.34 C ATOM 540 CG2 VAL A 36 -6.443 4.505 1.646 1.00 52.30 C ATOM 0 H VAL A 36 -5.041 0.987 1.791 1.00 70.30 H new ATOM 0 HA VAL A 36 -3.825 2.514 2.780 1.00 3.21 H new ATOM 0 HB VAL A 36 -4.470 4.877 2.330 1.00 54.30 H new ATOM 0 HG11 VAL A 36 -4.465 4.611 -0.154 1.00 33.34 H new ATOM 0 HG12 VAL A 36 -3.316 3.506 0.637 1.00 33.34 H new ATOM 0 HG13 VAL A 36 -4.880 2.892 0.049 1.00 33.34 H new ATOM 0 HG21 VAL A 36 -6.466 5.366 0.978 1.00 52.30 H new ATOM 0 HG22 VAL A 36 -7.020 3.691 1.208 1.00 52.30 H new ATOM 0 HG23 VAL A 36 -6.876 4.780 2.608 1.00 52.30 H new ATOM 550 N ILE A 37 -4.512 2.569 5.181 1.00 61.32 N ATOM 551 CA ILE A 37 -4.754 2.818 6.597 1.00 70.23 C ATOM 552 C ILE A 37 -4.171 4.169 7.007 1.00 51.44 C ATOM 553 O ILE A 37 -4.876 5.042 7.514 1.00 50.21 O ATOM 554 CB ILE A 37 -4.140 1.708 7.479 1.00 61.13 C ATOM 555 CG1 ILE A 37 -4.659 0.334 7.047 1.00 33.22 C ATOM 556 CG2 ILE A 37 -4.450 1.959 8.950 1.00 2.44 C ATOM 557 CD1 ILE A 37 -3.580 -0.729 6.997 1.00 41.14 C ATOM 0 H ILE A 37 -3.780 1.885 4.989 1.00 61.32 H new ATOM 0 HA ILE A 37 -5.834 2.823 6.748 1.00 70.23 H new ATOM 0 HB ILE A 37 -3.058 1.725 7.350 1.00 61.13 H new ATOM 0 HG12 ILE A 37 -5.440 0.016 7.737 1.00 33.22 H new ATOM 0 HG13 ILE A 37 -5.119 0.421 6.063 1.00 33.22 H new ATOM 0 HG21 ILE A 37 -4.009 1.167 9.555 1.00 2.44 H new ATOM 0 HG22 ILE A 37 -4.033 2.920 9.251 1.00 2.44 H new ATOM 0 HG23 ILE A 37 -5.530 1.970 9.098 1.00 2.44 H new ATOM 0 HD11 ILE A 37 -4.017 -1.677 6.684 1.00 41.14 H new ATOM 0 HD12 ILE A 37 -2.809 -0.432 6.285 1.00 41.14 H new ATOM 0 HD13 ILE A 37 -3.136 -0.843 7.986 1.00 41.14 H new ATOM 569 N SER A 38 -2.886 4.332 6.758 1.00 13.44 N ATOM 570 CA SER A 38 -2.178 5.562 7.069 1.00 73.50 C ATOM 571 C SER A 38 -1.182 5.858 5.961 1.00 24.11 C ATOM 572 O SER A 38 -0.994 5.044 5.061 1.00 53.14 O ATOM 573 CB SER A 38 -1.466 5.443 8.421 1.00 63.14 C ATOM 574 OG SER A 38 -0.610 4.313 8.448 1.00 42.10 O ATOM 0 H SER A 38 -2.300 3.613 6.333 1.00 13.44 H new ATOM 0 HA SER A 38 -2.891 6.384 7.138 1.00 73.50 H new ATOM 0 HB2 SER A 38 -0.887 6.347 8.612 1.00 63.14 H new ATOM 0 HB3 SER A 38 -2.204 5.363 9.219 1.00 63.14 H new ATOM 0 HG SER A 38 -0.166 4.260 9.320 1.00 42.10 H new ATOM 580 N GLU A 39 -0.565 7.023 6.005 1.00 3.13 N ATOM 581 CA GLU A 39 0.392 7.404 4.984 1.00 4.34 C ATOM 582 C GLU A 39 1.663 7.945 5.621 1.00 65.23 C ATOM 583 O GLU A 39 1.605 8.702 6.588 1.00 5.03 O ATOM 584 CB GLU A 39 -0.225 8.434 4.042 1.00 54.14 C ATOM 585 CG GLU A 39 -1.392 7.888 3.233 1.00 44.12 C ATOM 586 CD GLU A 39 -1.923 8.887 2.231 1.00 62.32 C ATOM 587 OE1 GLU A 39 -1.321 9.022 1.146 1.00 54.13 O ATOM 588 OE2 GLU A 39 -2.941 9.541 2.519 1.00 64.51 O ATOM 0 H GLU A 39 -0.709 7.721 6.735 1.00 3.13 H new ATOM 0 HA GLU A 39 0.655 6.520 4.402 1.00 4.34 H new ATOM 0 HB2 GLU A 39 -0.565 9.291 4.624 1.00 54.14 H new ATOM 0 HB3 GLU A 39 0.543 8.797 3.359 1.00 54.14 H new ATOM 0 HG2 GLU A 39 -1.075 6.986 2.709 1.00 44.12 H new ATOM 0 HG3 GLU A 39 -2.195 7.597 3.911 1.00 44.12 H new ATOM 595 N ASN A 40 2.805 7.543 5.083 1.00 12.22 N ATOM 596 CA ASN A 40 4.096 7.937 5.636 1.00 21.02 C ATOM 597 C ASN A 40 5.162 7.870 4.550 1.00 64.13 C ATOM 598 O ASN A 40 5.213 6.902 3.792 1.00 2.43 O ATOM 599 CB ASN A 40 4.471 7.013 6.809 1.00 21.40 C ATOM 600 CG ASN A 40 5.682 7.490 7.605 1.00 41.01 C ATOM 601 OD1 ASN A 40 6.603 8.104 7.072 1.00 64.43 O ATOM 602 ND2 ASN A 40 5.691 7.202 8.897 1.00 11.42 N ATOM 0 H ASN A 40 2.866 6.942 4.261 1.00 12.22 H new ATOM 0 HA ASN A 40 4.031 8.960 6.006 1.00 21.02 H new ATOM 0 HB2 ASN A 40 3.617 6.929 7.481 1.00 21.40 H new ATOM 0 HB3 ASN A 40 4.672 6.014 6.422 1.00 21.40 H new ATOM 0 HD21 ASN A 40 6.477 7.491 9.479 1.00 11.42 H new ATOM 0 HD22 ASN A 40 4.911 6.691 9.311 1.00 11.42 H new ATOM 609 N SER A 41 5.973 8.924 4.455 1.00 33.04 N ATOM 610 CA SER A 41 7.118 8.955 3.546 1.00 1.20 C ATOM 611 C SER A 41 6.667 9.075 2.087 1.00 4.33 C ATOM 612 O SER A 41 7.474 8.983 1.159 1.00 41.41 O ATOM 613 CB SER A 41 7.986 7.704 3.760 1.00 35.51 C ATOM 614 OG SER A 41 9.196 7.765 3.027 1.00 62.14 O ATOM 0 H SER A 41 5.855 9.776 5.003 1.00 33.04 H new ATOM 0 HA SER A 41 7.717 9.838 3.770 1.00 1.20 H new ATOM 0 HB2 SER A 41 8.210 7.596 4.821 1.00 35.51 H new ATOM 0 HB3 SER A 41 7.425 6.818 3.461 1.00 35.51 H new ATOM 0 HG SER A 41 9.057 8.287 2.209 1.00 62.14 H new ATOM 620 N GLY A 42 5.375 9.304 1.886 1.00 2.23 N ATOM 621 CA GLY A 42 4.846 9.455 0.546 1.00 20.13 C ATOM 622 C GLY A 42 3.998 8.276 0.126 1.00 20.21 C ATOM 623 O GLY A 42 3.033 8.426 -0.625 1.00 44.25 O ATOM 0 H GLY A 42 4.683 9.388 2.631 1.00 2.23 H new ATOM 0 HA2 GLY A 42 4.249 10.365 0.494 1.00 20.13 H new ATOM 0 HA3 GLY A 42 5.671 9.574 -0.156 1.00 20.13 H new ATOM 627 N TRP A 43 4.351 7.100 0.615 1.00 55.43 N ATOM 628 CA TRP A 43 3.601 5.895 0.311 1.00 11.42 C ATOM 629 C TRP A 43 2.538 5.639 1.373 1.00 62.24 C ATOM 630 O TRP A 43 2.627 6.143 2.494 1.00 63.21 O ATOM 631 CB TRP A 43 4.535 4.688 0.190 1.00 14.23 C ATOM 632 CG TRP A 43 5.194 4.563 -1.157 1.00 61.20 C ATOM 633 CD1 TRP A 43 4.955 5.323 -2.266 1.00 22.22 C ATOM 634 CD2 TRP A 43 6.189 3.606 -1.536 1.00 33.12 C ATOM 635 NE1 TRP A 43 5.740 4.895 -3.311 1.00 72.02 N ATOM 636 CE2 TRP A 43 6.507 3.841 -2.886 1.00 31.05 C ATOM 637 CE3 TRP A 43 6.840 2.570 -0.863 1.00 12.12 C ATOM 638 CZ2 TRP A 43 7.452 3.078 -3.572 1.00 35.20 C ATOM 639 CZ3 TRP A 43 7.776 1.816 -1.543 1.00 1.13 C ATOM 640 CH2 TRP A 43 8.073 2.072 -2.887 1.00 14.22 C ATOM 0 H TRP A 43 5.155 6.954 1.226 1.00 55.43 H new ATOM 0 HA TRP A 43 3.103 6.041 -0.648 1.00 11.42 H new ATOM 0 HB2 TRP A 43 5.307 4.759 0.956 1.00 14.23 H new ATOM 0 HB3 TRP A 43 3.968 3.780 0.392 1.00 14.23 H new ATOM 0 HD1 TRP A 43 4.252 6.141 -2.315 1.00 22.22 H new ATOM 0 HE1 TRP A 43 5.750 5.296 -4.249 1.00 72.02 H new ATOM 0 HE3 TRP A 43 6.615 2.362 0.173 1.00 12.12 H new ATOM 0 HZ2 TRP A 43 7.685 3.275 -4.608 1.00 35.20 H new ATOM 0 HZ3 TRP A 43 8.288 1.015 -1.029 1.00 1.13 H new ATOM 0 HH2 TRP A 43 8.807 1.462 -3.392 1.00 14.22 H new ATOM 651 N SER A 44 1.528 4.870 1.006 1.00 44.04 N ATOM 652 CA SER A 44 0.430 4.567 1.905 1.00 23.10 C ATOM 653 C SER A 44 0.604 3.188 2.543 1.00 35.02 C ATOM 654 O SER A 44 1.074 2.249 1.899 1.00 52.13 O ATOM 655 CB SER A 44 -0.893 4.631 1.146 1.00 31.25 C ATOM 656 OG SER A 44 -1.010 5.853 0.437 1.00 64.54 O ATOM 0 H SER A 44 1.446 4.441 0.084 1.00 44.04 H new ATOM 0 HA SER A 44 0.426 5.310 2.703 1.00 23.10 H new ATOM 0 HB2 SER A 44 -0.959 3.794 0.450 1.00 31.25 H new ATOM 0 HB3 SER A 44 -1.723 4.530 1.845 1.00 31.25 H new ATOM 0 HG SER A 44 -1.864 5.872 -0.043 1.00 64.54 H new ATOM 662 N LYS A 45 0.211 3.088 3.802 1.00 74.33 N ATOM 663 CA LYS A 45 0.325 1.871 4.575 1.00 20.25 C ATOM 664 C LYS A 45 -0.841 0.930 4.287 1.00 2.40 C ATOM 665 O LYS A 45 -2.007 1.295 4.475 1.00 24.51 O ATOM 666 CB LYS A 45 0.329 2.245 6.054 1.00 23.12 C ATOM 667 CG LYS A 45 1.686 2.673 6.577 1.00 25.43 C ATOM 668 CD LYS A 45 2.553 1.476 6.908 1.00 14.10 C ATOM 669 CE LYS A 45 1.925 0.642 8.009 1.00 31.24 C ATOM 670 NZ LYS A 45 2.850 -0.398 8.521 1.00 34.21 N ATOM 0 H LYS A 45 -0.202 3.864 4.320 1.00 74.33 H new ATOM 0 HA LYS A 45 1.247 1.356 4.305 1.00 20.25 H new ATOM 0 HB2 LYS A 45 -0.383 3.054 6.216 1.00 23.12 H new ATOM 0 HB3 LYS A 45 -0.021 1.392 6.635 1.00 23.12 H new ATOM 0 HG2 LYS A 45 2.186 3.292 5.832 1.00 25.43 H new ATOM 0 HG3 LYS A 45 1.557 3.288 7.468 1.00 25.43 H new ATOM 0 HD2 LYS A 45 2.691 0.864 6.017 1.00 14.10 H new ATOM 0 HD3 LYS A 45 3.542 1.813 7.220 1.00 14.10 H new ATOM 0 HE2 LYS A 45 1.624 1.294 8.829 1.00 31.24 H new ATOM 0 HE3 LYS A 45 1.020 0.167 7.631 1.00 31.24 H new ATOM 0 HZ1 LYS A 45 2.329 -1.287 8.661 1.00 34.21 H new ATOM 0 HZ2 LYS A 45 3.616 -0.549 7.834 1.00 34.21 H new ATOM 0 HZ3 LYS A 45 3.254 -0.087 9.428 1.00 34.21 H new ATOM 684 N ILE A 46 -0.523 -0.273 3.831 1.00 50.33 N ATOM 685 CA ILE A 46 -1.534 -1.287 3.548 1.00 24.43 C ATOM 686 C ILE A 46 -1.049 -2.652 4.006 1.00 3.03 C ATOM 687 O ILE A 46 0.155 -2.881 4.142 1.00 13.14 O ATOM 688 CB ILE A 46 -1.881 -1.374 2.042 1.00 55.42 C ATOM 689 CG1 ILE A 46 -0.622 -1.663 1.220 1.00 2.25 C ATOM 690 CG2 ILE A 46 -2.556 -0.095 1.563 1.00 4.10 C ATOM 691 CD1 ILE A 46 -0.901 -1.947 -0.239 1.00 52.03 C ATOM 0 H ILE A 46 0.434 -0.574 3.647 1.00 50.33 H new ATOM 0 HA ILE A 46 -2.431 -0.991 4.092 1.00 24.43 H new ATOM 0 HB ILE A 46 -2.583 -2.196 1.901 1.00 55.42 H new ATOM 0 HG12 ILE A 46 0.052 -0.810 1.293 1.00 2.25 H new ATOM 0 HG13 ILE A 46 -0.103 -2.517 1.655 1.00 2.25 H new ATOM 0 HG21 ILE A 46 -2.789 -0.182 0.502 1.00 4.10 H new ATOM 0 HG22 ILE A 46 -3.476 0.063 2.125 1.00 4.10 H new ATOM 0 HG23 ILE A 46 -1.886 0.750 1.719 1.00 4.10 H new ATOM 0 HD11 ILE A 46 0.038 -2.142 -0.758 1.00 52.03 H new ATOM 0 HD12 ILE A 46 -1.550 -2.819 -0.322 1.00 52.03 H new ATOM 0 HD13 ILE A 46 -1.392 -1.085 -0.690 1.00 52.03 H new ATOM 703 N ASN A 47 -1.984 -3.550 4.262 1.00 30.12 N ATOM 704 CA ASN A 47 -1.643 -4.917 4.620 1.00 61.01 C ATOM 705 C ASN A 47 -2.308 -5.885 3.654 1.00 62.32 C ATOM 706 O ASN A 47 -3.537 -5.939 3.558 1.00 25.41 O ATOM 707 CB ASN A 47 -2.062 -5.232 6.055 1.00 42.33 C ATOM 708 CG ASN A 47 -1.557 -6.586 6.518 1.00 14.14 C ATOM 709 OD1 ASN A 47 -2.227 -7.607 6.359 1.00 55.11 O ATOM 710 ND2 ASN A 47 -0.372 -6.599 7.105 1.00 43.43 N ATOM 0 H ASN A 47 -2.985 -3.358 4.229 1.00 30.12 H new ATOM 0 HA ASN A 47 -0.561 -5.029 4.554 1.00 61.01 H new ATOM 0 HB2 ASN A 47 -1.681 -4.458 6.721 1.00 42.33 H new ATOM 0 HB3 ASN A 47 -3.149 -5.208 6.127 1.00 42.33 H new ATOM 0 HD21 ASN A 47 0.019 -7.477 7.446 1.00 43.43 H new ATOM 0 HD22 ASN A 47 0.151 -5.731 7.217 1.00 43.43 H new ATOM 717 N TYR A 48 -1.490 -6.638 2.941 1.00 64.44 N ATOM 718 CA TYR A 48 -1.976 -7.534 1.902 1.00 35.11 C ATOM 719 C TYR A 48 -1.545 -8.962 2.209 1.00 72.43 C ATOM 720 O TYR A 48 -0.362 -9.271 2.186 1.00 54.33 O ATOM 721 CB TYR A 48 -1.421 -7.091 0.543 1.00 31.31 C ATOM 722 CG TYR A 48 -2.098 -7.734 -0.653 1.00 4.12 C ATOM 723 CD1 TYR A 48 -3.264 -7.201 -1.185 1.00 34.01 C ATOM 724 CD2 TYR A 48 -1.564 -8.867 -1.254 1.00 33.21 C ATOM 725 CE1 TYR A 48 -3.881 -7.778 -2.276 1.00 14.11 C ATOM 726 CE2 TYR A 48 -2.176 -9.449 -2.350 1.00 21.15 C ATOM 727 CZ TYR A 48 -3.335 -8.902 -2.856 1.00 15.33 C ATOM 728 OH TYR A 48 -3.949 -9.478 -3.947 1.00 21.03 O ATOM 0 H TYR A 48 -0.477 -6.648 3.063 1.00 64.44 H new ATOM 0 HA TYR A 48 -3.065 -7.497 1.870 1.00 35.11 H new ATOM 0 HB2 TYR A 48 -1.518 -6.008 0.461 1.00 31.31 H new ATOM 0 HB3 TYR A 48 -0.356 -7.319 0.508 1.00 31.31 H new ATOM 0 HD1 TYR A 48 -3.696 -6.319 -0.737 1.00 34.01 H new ATOM 0 HD2 TYR A 48 -0.657 -9.300 -0.859 1.00 33.21 H new ATOM 0 HE1 TYR A 48 -4.789 -7.350 -2.674 1.00 14.11 H new ATOM 0 HE2 TYR A 48 -1.747 -10.328 -2.807 1.00 21.15 H new ATOM 0 HH TYR A 48 -3.436 -10.261 -4.235 1.00 21.03 H new ATOM 738 N ASN A 49 -2.505 -9.816 2.527 1.00 34.32 N ATOM 739 CA ASN A 49 -2.232 -11.225 2.838 1.00 73.04 C ATOM 740 C ASN A 49 -1.291 -11.353 4.033 1.00 73.42 C ATOM 741 O ASN A 49 -0.504 -12.296 4.132 1.00 73.13 O ATOM 742 CB ASN A 49 -1.636 -11.950 1.623 1.00 73.21 C ATOM 743 CG ASN A 49 -2.666 -12.324 0.568 1.00 71.40 C ATOM 744 OD1 ASN A 49 -2.537 -13.352 -0.095 1.00 44.22 O ATOM 745 ND2 ASN A 49 -3.695 -11.508 0.400 1.00 1.30 N ATOM 0 H ASN A 49 -3.492 -9.562 2.579 1.00 34.32 H new ATOM 0 HA ASN A 49 -3.182 -11.693 3.094 1.00 73.04 H new ATOM 0 HB2 ASN A 49 -0.877 -11.314 1.168 1.00 73.21 H new ATOM 0 HB3 ASN A 49 -1.132 -12.855 1.962 1.00 73.21 H new ATOM 0 HD21 ASN A 49 -4.409 -11.724 -0.295 1.00 1.30 H new ATOM 0 HD22 ASN A 49 -3.773 -10.663 0.966 1.00 1.30 H new ATOM 752 N GLY A 50 -1.400 -10.410 4.957 1.00 33.22 N ATOM 753 CA GLY A 50 -0.626 -10.468 6.177 1.00 1.33 C ATOM 754 C GLY A 50 0.684 -9.703 6.104 1.00 2.12 C ATOM 755 O GLY A 50 1.264 -9.372 7.140 1.00 30.14 O ATOM 0 H GLY A 50 -2.016 -9.600 4.881 1.00 33.22 H new ATOM 0 HA2 GLY A 50 -1.224 -10.069 6.996 1.00 1.33 H new ATOM 0 HA3 GLY A 50 -0.415 -11.511 6.414 1.00 1.33 H new ATOM 759 N GLN A 51 1.155 -9.398 4.900 1.00 34.34 N ATOM 760 CA GLN A 51 2.422 -8.688 4.760 1.00 53.34 C ATOM 761 C GLN A 51 2.197 -7.188 4.684 1.00 44.34 C ATOM 762 O GLN A 51 1.240 -6.714 4.065 1.00 22.44 O ATOM 763 CB GLN A 51 3.217 -9.180 3.540 1.00 43.41 C ATOM 764 CG GLN A 51 2.481 -9.054 2.217 1.00 72.13 C ATOM 765 CD GLN A 51 3.164 -9.783 1.072 1.00 53.23 C ATOM 766 OE1 GLN A 51 2.503 -10.291 0.165 1.00 64.34 O ATOM 767 NE2 GLN A 51 4.485 -9.825 1.087 1.00 33.25 N ATOM 0 H GLN A 51 0.689 -9.626 4.022 1.00 34.34 H new ATOM 0 HA GLN A 51 3.015 -8.903 5.649 1.00 53.34 H new ATOM 0 HB2 GLN A 51 4.149 -8.618 3.478 1.00 43.41 H new ATOM 0 HB3 GLN A 51 3.485 -10.225 3.694 1.00 43.41 H new ATOM 0 HG2 GLN A 51 1.470 -9.444 2.334 1.00 72.13 H new ATOM 0 HG3 GLN A 51 2.388 -7.999 1.961 1.00 72.13 H new ATOM 0 HE21 GLN A 51 5.000 -9.394 1.854 1.00 33.25 H new ATOM 0 HE22 GLN A 51 4.989 -10.289 0.331 1.00 33.25 H new ATOM 776 N THR A 52 3.077 -6.458 5.343 1.00 3.12 N ATOM 777 CA THR A 52 3.025 -5.011 5.349 1.00 52.53 C ATOM 778 C THR A 52 3.603 -4.461 4.053 1.00 3.40 C ATOM 779 O THR A 52 4.745 -4.765 3.699 1.00 35.43 O ATOM 780 CB THR A 52 3.810 -4.439 6.547 1.00 35.05 C ATOM 781 OG1 THR A 52 3.259 -4.934 7.777 1.00 33.51 O ATOM 782 CG2 THR A 52 3.782 -2.919 6.549 1.00 31.52 C ATOM 0 H THR A 52 3.845 -6.851 5.887 1.00 3.12 H new ATOM 0 HA THR A 52 1.981 -4.710 5.438 1.00 52.53 H new ATOM 0 HB THR A 52 4.847 -4.762 6.455 1.00 35.05 H new ATOM 0 HG1 THR A 52 3.764 -4.568 8.533 1.00 33.51 H new ATOM 0 HG21 THR A 52 4.344 -2.546 7.405 1.00 31.52 H new ATOM 0 HG22 THR A 52 4.232 -2.546 5.629 1.00 31.52 H new ATOM 0 HG23 THR A 52 2.750 -2.574 6.614 1.00 31.52 H new ATOM 790 N GLY A 53 2.816 -3.667 3.349 1.00 53.31 N ATOM 791 CA GLY A 53 3.268 -3.098 2.101 1.00 54.52 C ATOM 792 C GLY A 53 2.935 -1.628 1.986 1.00 53.14 C ATOM 793 O GLY A 53 2.219 -1.075 2.826 1.00 23.41 O ATOM 0 H GLY A 53 1.868 -3.406 3.621 1.00 53.31 H new ATOM 0 HA2 GLY A 53 4.346 -3.232 2.013 1.00 54.52 H new ATOM 0 HA3 GLY A 53 2.811 -3.638 1.272 1.00 54.52 H new ATOM 797 N TYR A 54 3.463 -0.999 0.949 1.00 14.21 N ATOM 798 CA TYR A 54 3.215 0.409 0.684 1.00 4.32 C ATOM 799 C TYR A 54 2.812 0.590 -0.771 1.00 44.43 C ATOM 800 O TYR A 54 3.268 -0.152 -1.638 1.00 0.35 O ATOM 801 CB TYR A 54 4.469 1.245 0.957 1.00 35.51 C ATOM 802 CG TYR A 54 4.899 1.313 2.405 1.00 0.41 C ATOM 803 CD1 TYR A 54 5.770 0.370 2.938 1.00 34.40 C ATOM 804 CD2 TYR A 54 4.453 2.335 3.229 1.00 41.24 C ATOM 805 CE1 TYR A 54 6.177 0.443 4.255 1.00 72.44 C ATOM 806 CE2 TYR A 54 4.861 2.418 4.545 1.00 22.15 C ATOM 807 CZ TYR A 54 5.722 1.468 5.055 1.00 62.13 C ATOM 808 OH TYR A 54 6.134 1.547 6.367 1.00 23.15 O ATOM 0 H TYR A 54 4.075 -1.449 0.268 1.00 14.21 H new ATOM 0 HA TYR A 54 2.414 0.744 1.343 1.00 4.32 H new ATOM 0 HB2 TYR A 54 5.292 0.838 0.370 1.00 35.51 H new ATOM 0 HB3 TYR A 54 4.294 2.260 0.599 1.00 35.51 H new ATOM 0 HD1 TYR A 54 6.134 -0.432 2.312 1.00 34.40 H new ATOM 0 HD2 TYR A 54 3.776 3.078 2.835 1.00 41.24 H new ATOM 0 HE1 TYR A 54 6.849 -0.301 4.657 1.00 72.44 H new ATOM 0 HE2 TYR A 54 4.508 3.223 5.173 1.00 22.15 H new ATOM 0 HH TYR A 54 5.723 2.328 6.793 1.00 23.15 H new ATOM 818 N ILE A 55 1.954 1.562 -1.036 1.00 13.31 N ATOM 819 CA ILE A 55 1.591 1.906 -2.406 1.00 23.13 C ATOM 820 C ILE A 55 1.610 3.417 -2.597 1.00 21.13 C ATOM 821 O ILE A 55 1.565 4.169 -1.622 1.00 50.14 O ATOM 822 CB ILE A 55 0.215 1.323 -2.825 1.00 71.33 C ATOM 823 CG1 ILE A 55 -0.856 1.570 -1.759 1.00 10.04 C ATOM 824 CG2 ILE A 55 0.336 -0.163 -3.118 1.00 14.12 C ATOM 825 CD1 ILE A 55 -1.499 2.937 -1.837 1.00 4.22 C ATOM 0 H ILE A 55 1.495 2.128 -0.322 1.00 13.31 H new ATOM 0 HA ILE A 55 2.338 1.451 -3.056 1.00 23.13 H new ATOM 0 HB ILE A 55 -0.098 1.840 -3.732 1.00 71.33 H new ATOM 0 HG12 ILE A 55 -1.631 0.809 -1.854 1.00 10.04 H new ATOM 0 HG13 ILE A 55 -0.408 1.446 -0.773 1.00 10.04 H new ATOM 0 HG21 ILE A 55 -0.637 -0.557 -3.410 1.00 14.12 H new ATOM 0 HG22 ILE A 55 1.048 -0.317 -3.929 1.00 14.12 H new ATOM 0 HG23 ILE A 55 0.684 -0.683 -2.225 1.00 14.12 H new ATOM 0 HD11 ILE A 55 -2.246 3.033 -1.049 1.00 4.22 H new ATOM 0 HD12 ILE A 55 -0.737 3.706 -1.710 1.00 4.22 H new ATOM 0 HD13 ILE A 55 -1.979 3.059 -2.808 1.00 4.22 H new ATOM 837 N GLY A 56 1.687 3.858 -3.845 1.00 33.34 N ATOM 838 CA GLY A 56 1.775 5.276 -4.123 1.00 50.52 C ATOM 839 C GLY A 56 0.415 5.939 -4.143 1.00 4.01 C ATOM 840 O GLY A 56 -0.508 5.442 -4.781 1.00 74.41 O ATOM 0 H GLY A 56 1.690 3.258 -4.670 1.00 33.34 H new ATOM 0 HA2 GLY A 56 2.400 5.754 -3.369 1.00 50.52 H new ATOM 0 HA3 GLY A 56 2.265 5.426 -5.085 1.00 50.52 H new ATOM 844 N THR A 57 0.302 7.068 -3.453 1.00 63.30 N ATOM 845 CA THR A 57 -0.958 7.797 -3.338 1.00 45.44 C ATOM 846 C THR A 57 -1.451 8.311 -4.696 1.00 10.42 C ATOM 847 O THR A 57 -2.626 8.653 -4.852 1.00 15.12 O ATOM 848 CB THR A 57 -0.792 8.984 -2.368 1.00 11.13 C ATOM 849 OG1 THR A 57 -0.119 8.540 -1.180 1.00 21.51 O ATOM 850 CG2 THR A 57 -2.142 9.589 -1.996 1.00 74.13 C ATOM 0 H THR A 57 1.080 7.504 -2.958 1.00 63.30 H new ATOM 0 HA THR A 57 -1.703 7.101 -2.953 1.00 45.44 H new ATOM 0 HB THR A 57 -0.202 9.753 -2.866 1.00 11.13 H new ATOM 0 HG1 THR A 57 -0.614 8.843 -0.391 1.00 21.51 H new ATOM 0 HG21 THR A 57 -1.990 10.423 -1.311 1.00 74.13 H new ATOM 0 HG22 THR A 57 -2.642 9.945 -2.897 1.00 74.13 H new ATOM 0 HG23 THR A 57 -2.760 8.831 -1.514 1.00 74.13 H new ATOM 858 N ARG A 58 -0.552 8.348 -5.677 1.00 1.11 N ATOM 859 CA ARG A 58 -0.871 8.859 -7.000 1.00 21.42 C ATOM 860 C ARG A 58 -2.009 8.079 -7.643 1.00 34.12 C ATOM 861 O ARG A 58 -2.964 8.669 -8.148 1.00 55.22 O ATOM 862 CB ARG A 58 0.362 8.801 -7.893 1.00 4.05 C ATOM 863 CG ARG A 58 1.533 9.608 -7.363 1.00 65.41 C ATOM 864 CD ARG A 58 2.742 9.501 -8.272 1.00 72.40 C ATOM 865 NE ARG A 58 3.929 10.081 -7.652 1.00 14.54 N ATOM 866 CZ ARG A 58 5.032 9.391 -7.389 1.00 21.02 C ATOM 867 NH1 ARG A 58 5.105 8.114 -7.737 1.00 22.44 N ATOM 868 NH2 ARG A 58 6.060 9.972 -6.783 1.00 22.43 N ATOM 0 H ARG A 58 0.410 8.026 -5.575 1.00 1.11 H new ATOM 0 HA ARG A 58 -1.194 9.894 -6.887 1.00 21.42 H new ATOM 0 HB2 ARG A 58 0.670 7.762 -8.007 1.00 4.05 H new ATOM 0 HB3 ARG A 58 0.099 9.166 -8.886 1.00 4.05 H new ATOM 0 HG2 ARG A 58 1.241 10.654 -7.267 1.00 65.41 H new ATOM 0 HG3 ARG A 58 1.795 9.257 -6.365 1.00 65.41 H new ATOM 0 HD2 ARG A 58 2.929 8.454 -8.509 1.00 72.40 H new ATOM 0 HD3 ARG A 58 2.537 10.010 -9.214 1.00 72.40 H new ATOM 0 HE ARG A 58 3.910 11.071 -7.407 1.00 14.54 H new ATOM 0 HH11 ARG A 58 4.316 7.667 -8.204 1.00 22.44 H new ATOM 0 HH12 ARG A 58 5.950 7.579 -7.538 1.00 22.44 H new ATOM 0 HH21 ARG A 58 6.006 10.955 -6.516 1.00 22.43 H new ATOM 0 HH22 ARG A 58 6.904 9.436 -6.584 1.00 22.43 H new ATOM 882 N TYR A 59 -1.920 6.757 -7.626 1.00 22.23 N ATOM 883 CA TYR A 59 -2.960 5.941 -8.211 1.00 53.42 C ATOM 884 C TYR A 59 -3.636 5.070 -7.169 1.00 3.53 C ATOM 885 O TYR A 59 -3.022 4.186 -6.582 1.00 14.22 O ATOM 886 CB TYR A 59 -2.391 5.082 -9.336 1.00 52.51 C ATOM 887 CG TYR A 59 -2.527 5.721 -10.697 1.00 61.55 C ATOM 888 CD1 TYR A 59 -1.607 6.658 -11.145 1.00 11.41 C ATOM 889 CD2 TYR A 59 -3.587 5.390 -11.529 1.00 41.54 C ATOM 890 CE1 TYR A 59 -1.740 7.246 -12.389 1.00 22.14 C ATOM 891 CE2 TYR A 59 -3.728 5.973 -12.769 1.00 74.21 C ATOM 892 CZ TYR A 59 -2.803 6.900 -13.196 1.00 52.15 C ATOM 893 OH TYR A 59 -2.950 7.485 -14.431 1.00 41.43 O ATOM 0 H TYR A 59 -1.145 6.236 -7.217 1.00 22.23 H new ATOM 0 HA TYR A 59 -3.715 6.610 -8.624 1.00 53.42 H new ATOM 0 HB2 TYR A 59 -1.337 4.885 -9.137 1.00 52.51 H new ATOM 0 HB3 TYR A 59 -2.900 4.118 -9.342 1.00 52.51 H new ATOM 0 HD1 TYR A 59 -0.775 6.932 -10.513 1.00 11.41 H new ATOM 0 HD2 TYR A 59 -4.314 4.663 -11.199 1.00 41.54 H new ATOM 0 HE1 TYR A 59 -1.015 7.972 -12.727 1.00 22.14 H new ATOM 0 HE2 TYR A 59 -4.560 5.705 -13.403 1.00 74.21 H new ATOM 0 HH TYR A 59 -3.750 7.127 -14.869 1.00 41.43 H new ATOM 903 N LEU A 60 -4.919 5.325 -6.986 1.00 53.31 N ATOM 904 CA LEU A 60 -5.769 4.560 -6.084 1.00 10.32 C ATOM 905 C LEU A 60 -7.135 4.417 -6.728 1.00 60.34 C ATOM 906 O LEU A 60 -7.379 4.993 -7.790 1.00 10.53 O ATOM 907 CB LEU A 60 -5.923 5.242 -4.713 1.00 31.44 C ATOM 908 CG LEU A 60 -4.989 4.747 -3.597 1.00 34.03 C ATOM 909 CD1 LEU A 60 -4.967 3.224 -3.545 1.00 11.42 C ATOM 910 CD2 LEU A 60 -3.587 5.310 -3.766 1.00 15.23 C ATOM 0 H LEU A 60 -5.409 6.080 -7.466 1.00 53.31 H new ATOM 0 HA LEU A 60 -5.305 3.588 -5.914 1.00 10.32 H new ATOM 0 HB2 LEU A 60 -5.763 6.312 -4.843 1.00 31.44 H new ATOM 0 HB3 LEU A 60 -6.953 5.112 -4.380 1.00 31.44 H new ATOM 0 HG LEU A 60 -5.379 5.110 -2.646 1.00 34.03 H new ATOM 0 HD11 LEU A 60 -4.299 2.897 -2.748 1.00 11.42 H new ATOM 0 HD12 LEU A 60 -5.973 2.852 -3.351 1.00 11.42 H new ATOM 0 HD13 LEU A 60 -4.613 2.832 -4.499 1.00 11.42 H new ATOM 0 HD21 LEU A 60 -2.948 4.943 -2.963 1.00 15.23 H new ATOM 0 HD22 LEU A 60 -3.181 4.993 -4.726 1.00 15.23 H new ATOM 0 HD23 LEU A 60 -3.625 6.399 -3.730 1.00 15.23 H new ATOM 922 N SER A 61 -8.021 3.667 -6.099 1.00 74.25 N ATOM 923 CA SER A 61 -9.352 3.475 -6.635 1.00 63.03 C ATOM 924 C SER A 61 -10.236 4.647 -6.239 1.00 4.02 C ATOM 925 O SER A 61 -10.427 4.925 -5.056 1.00 21.33 O ATOM 926 CB SER A 61 -9.939 2.168 -6.105 1.00 33.51 C ATOM 927 OG SER A 61 -8.991 1.120 -6.202 1.00 3.30 O ATOM 0 H SER A 61 -7.842 3.183 -5.219 1.00 74.25 H new ATOM 0 HA SER A 61 -9.301 3.422 -7.722 1.00 63.03 H new ATOM 0 HB2 SER A 61 -10.244 2.295 -5.066 1.00 33.51 H new ATOM 0 HB3 SER A 61 -10.834 1.909 -6.671 1.00 33.51 H new ATOM 0 HG SER A 61 -8.571 0.977 -5.328 1.00 3.30 H new ATOM 933 N LYS A 62 -10.746 5.347 -7.237 1.00 11.05 N ATOM 934 CA LYS A 62 -11.641 6.466 -7.008 1.00 43.23 C ATOM 935 C LYS A 62 -13.073 5.987 -7.177 1.00 21.41 C ATOM 936 O LYS A 62 -13.351 5.180 -8.062 1.00 23.44 O ATOM 937 CB LYS A 62 -11.336 7.595 -7.997 1.00 62.53 C ATOM 938 CG LYS A 62 -11.720 8.974 -7.491 1.00 10.14 C ATOM 939 CD LYS A 62 -10.858 9.384 -6.305 1.00 74.52 C ATOM 940 CE LYS A 62 -11.302 10.713 -5.712 1.00 52.23 C ATOM 941 NZ LYS A 62 -10.405 11.155 -4.610 1.00 1.12 N ATOM 0 H LYS A 62 -10.553 5.158 -8.221 1.00 11.05 H new ATOM 0 HA LYS A 62 -11.501 6.852 -5.998 1.00 43.23 H new ATOM 0 HB2 LYS A 62 -10.270 7.586 -8.226 1.00 62.53 H new ATOM 0 HB3 LYS A 62 -11.865 7.401 -8.930 1.00 62.53 H new ATOM 0 HG2 LYS A 62 -11.609 9.703 -8.294 1.00 10.14 H new ATOM 0 HG3 LYS A 62 -12.770 8.978 -7.199 1.00 10.14 H new ATOM 0 HD2 LYS A 62 -10.905 8.611 -5.538 1.00 74.52 H new ATOM 0 HD3 LYS A 62 -9.817 9.457 -6.621 1.00 74.52 H new ATOM 0 HE2 LYS A 62 -11.318 11.472 -6.494 1.00 52.23 H new ATOM 0 HE3 LYS A 62 -12.321 10.621 -5.336 1.00 52.23 H new ATOM 0 HZ1 LYS A 62 -10.741 12.064 -4.232 1.00 1.12 H new ATOM 0 HZ2 LYS A 62 -10.409 10.443 -3.852 1.00 1.12 H new ATOM 0 HZ3 LYS A 62 -9.437 11.268 -4.974 1.00 1.12 H new