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 13 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.72) USER MOD Set 1.2: A 61 SER OG : rot -120:sc= 0 USER MOD Set 2.1: A 20 THR OG1 : rot 140:sc= 0.0366 USER MOD Set 2.2: A 21 ASN : amide:sc= 0 X(o=0.037,f=0.037) USER MOD Single : A 16 SER OG : rot 112:sc= 1.05 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.435 F(o=-2.2!,f=-0.44) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.486 K(o=-0.49,f=-1.4) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0264 K(o=-0.026,f=-3.8!) USER MOD Single : A 41 SER OG : rot -51:sc= 0.479 USER MOD Single : A 44 SER OG : rot -128:sc= -0.883 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0926 K(o=-0.093,f=-0.85) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.307 F(o=-1.2,f=-0.31) USER MOD Single : A 51 GLN : amide:sc=-0.00604 X(o=-0.006,f=-0.3) 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 57 THR OG1 : rot -136:sc= 0.275 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 -7.501 -0.614 -14.773 1.00 43.14 N ATOM 155 CA ALA A 11 -7.721 -1.974 -14.299 1.00 75.12 C ATOM 156 C ALA A 11 -6.654 -2.338 -13.273 1.00 21.22 C ATOM 157 O ALA A 11 -6.961 -2.685 -12.132 1.00 20.24 O ATOM 158 CB ALA A 11 -7.706 -2.954 -15.466 1.00 15.10 C ATOM 0 HA ALA A 11 -8.700 -2.033 -13.824 1.00 75.12 H new ATOM 0 HB1 ALA A 11 -7.872 -3.965 -15.094 1.00 15.10 H new ATOM 0 HB2 ALA A 11 -8.495 -2.693 -16.171 1.00 15.10 H new ATOM 0 HB3 ALA A 11 -6.740 -2.906 -15.969 1.00 15.10 H new ATOM 164 N LEU A 12 -5.395 -2.247 -13.688 1.00 15.14 N ATOM 165 CA LEU A 12 -4.269 -2.413 -12.776 1.00 5.22 C ATOM 166 C LEU A 12 -4.034 -1.090 -12.059 1.00 63.54 C ATOM 167 O LEU A 12 -3.111 -0.349 -12.394 1.00 64.11 O ATOM 168 CB LEU A 12 -2.991 -2.838 -13.527 1.00 55.01 C ATOM 169 CG LEU A 12 -3.025 -4.207 -14.234 1.00 5.42 C ATOM 170 CD1 LEU A 12 -3.473 -5.304 -13.282 1.00 31.44 C ATOM 171 CD2 LEU A 12 -3.910 -4.178 -15.471 1.00 65.32 C ATOM 0 H LEU A 12 -5.128 -2.058 -14.654 1.00 15.14 H new ATOM 0 HA LEU A 12 -4.504 -3.201 -12.061 1.00 5.22 H new ATOM 0 HB2 LEU A 12 -2.766 -2.076 -14.273 1.00 55.01 H new ATOM 0 HB3 LEU A 12 -2.165 -2.843 -12.816 1.00 55.01 H new ATOM 0 HG LEU A 12 -2.008 -4.428 -14.558 1.00 5.42 H new ATOM 0 HD11 LEU A 12 -3.488 -6.259 -13.808 1.00 31.44 H new ATOM 0 HD12 LEU A 12 -2.780 -5.363 -12.443 1.00 31.44 H new ATOM 0 HD13 LEU A 12 -4.473 -5.078 -12.912 1.00 31.44 H new ATOM 0 HD21 LEU A 12 -3.909 -5.161 -15.942 1.00 65.32 H new ATOM 0 HD22 LEU A 12 -4.928 -3.914 -15.184 1.00 65.32 H new ATOM 0 HD23 LEU A 12 -3.528 -3.438 -16.174 1.00 65.32 H new ATOM 183 N ASN A 13 -4.902 -0.785 -11.100 1.00 52.13 N ATOM 184 CA ASN A 13 -4.939 0.545 -10.498 1.00 54.22 C ATOM 185 C ASN A 13 -3.939 0.700 -9.358 1.00 72.02 C ATOM 186 O ASN A 13 -3.323 1.754 -9.214 1.00 14.55 O ATOM 187 CB ASN A 13 -6.349 0.876 -9.994 1.00 3.43 C ATOM 188 CG ASN A 13 -7.382 0.898 -11.107 1.00 72.04 C ATOM 189 OD1 ASN A 13 -7.059 1.130 -12.271 1.00 2.04 O ATOM 190 ND2 ASN A 13 -8.640 0.671 -10.757 1.00 51.24 N ATOM 0 H ASN A 13 -5.588 -1.439 -10.723 1.00 52.13 H new ATOM 0 HA ASN A 13 -4.657 1.246 -11.283 1.00 54.22 H new ATOM 0 HB2 ASN A 13 -6.644 0.141 -9.245 1.00 3.43 H new ATOM 0 HB3 ASN A 13 -6.334 1.847 -9.499 1.00 3.43 H new ATOM 0 HD21 ASN A 13 -9.376 0.685 -11.463 1.00 51.24 H new ATOM 0 HD22 ASN A 13 -8.872 0.482 -9.782 1.00 51.24 H new ATOM 197 N VAL A 14 -3.766 -0.339 -8.554 1.00 50.34 N ATOM 198 CA VAL A 14 -2.922 -0.226 -7.374 1.00 41.50 C ATOM 199 C VAL A 14 -1.439 -0.279 -7.740 1.00 42.40 C ATOM 200 O VAL A 14 -0.722 0.706 -7.572 1.00 55.23 O ATOM 201 CB VAL A 14 -3.245 -1.324 -6.347 1.00 3.43 C ATOM 202 CG1 VAL A 14 -2.408 -1.148 -5.097 1.00 3.33 C ATOM 203 CG2 VAL A 14 -4.726 -1.319 -6.003 1.00 74.23 C ATOM 0 H VAL A 14 -4.191 -1.256 -8.693 1.00 50.34 H new ATOM 0 HA VAL A 14 -3.134 0.744 -6.925 1.00 41.50 H new ATOM 0 HB VAL A 14 -3.000 -2.289 -6.791 1.00 3.43 H new ATOM 0 HG11 VAL A 14 -2.651 -1.934 -4.383 1.00 3.33 H new ATOM 0 HG12 VAL A 14 -1.351 -1.207 -5.356 1.00 3.33 H new ATOM 0 HG13 VAL A 14 -2.619 -0.176 -4.652 1.00 3.33 H new ATOM 0 HG21 VAL A 14 -4.933 -2.103 -5.275 1.00 74.23 H new ATOM 0 HG22 VAL A 14 -4.998 -0.351 -5.581 1.00 74.23 H new ATOM 0 HG23 VAL A 14 -5.310 -1.499 -6.906 1.00 74.23 H new ATOM 213 N ARG A 15 -0.986 -1.432 -8.240 1.00 13.42 N ATOM 214 CA ARG A 15 0.422 -1.630 -8.625 1.00 43.42 C ATOM 215 C ARG A 15 1.396 -1.291 -7.491 1.00 2.13 C ATOM 216 O ARG A 15 2.576 -1.038 -7.744 1.00 0.14 O ATOM 217 CB ARG A 15 0.765 -0.793 -9.860 1.00 10.21 C ATOM 218 CG ARG A 15 0.184 -1.334 -11.152 1.00 31.54 C ATOM 219 CD ARG A 15 0.678 -2.744 -11.439 1.00 42.23 C ATOM 220 NE ARG A 15 0.419 -3.134 -12.825 1.00 30.33 N ATOM 221 CZ ARG A 15 0.509 -4.381 -13.292 1.00 44.41 C ATOM 222 NH1 ARG A 15 0.812 -5.382 -12.473 1.00 32.41 N ATOM 223 NH2 ARG A 15 0.289 -4.629 -14.579 1.00 14.22 N ATOM 0 H ARG A 15 -1.576 -2.251 -8.390 1.00 13.42 H new ATOM 0 HA ARG A 15 0.535 -2.690 -8.853 1.00 43.42 H new ATOM 0 HB2 ARG A 15 0.404 0.224 -9.709 1.00 10.21 H new ATOM 0 HB3 ARG A 15 1.849 -0.735 -9.957 1.00 10.21 H new ATOM 0 HG2 ARG A 15 -0.904 -1.334 -11.091 1.00 31.54 H new ATOM 0 HG3 ARG A 15 0.457 -0.677 -11.978 1.00 31.54 H new ATOM 0 HD2 ARG A 15 1.748 -2.803 -11.238 1.00 42.23 H new ATOM 0 HD3 ARG A 15 0.187 -3.446 -10.765 1.00 42.23 H new ATOM 0 HE ARG A 15 0.151 -2.401 -13.481 1.00 30.33 H new ATOM 0 HH11 ARG A 15 0.977 -5.199 -11.483 1.00 32.41 H new ATOM 0 HH12 ARG A 15 0.880 -6.334 -12.834 1.00 32.41 H new ATOM 0 HH21 ARG A 15 0.051 -3.866 -15.212 1.00 14.22 H new ATOM 0 HH22 ARG A 15 0.358 -5.583 -14.934 1.00 14.22 H new ATOM 237 N SER A 16 0.897 -1.296 -6.257 1.00 44.33 N ATOM 238 CA SER A 16 1.702 -0.986 -5.073 1.00 33.33 C ATOM 239 C SER A 16 2.261 0.442 -5.128 1.00 44.13 C ATOM 240 O SER A 16 3.290 0.744 -4.523 1.00 55.23 O ATOM 241 CB SER A 16 2.838 -2.003 -4.921 1.00 30.11 C ATOM 242 OG SER A 16 2.342 -3.331 -4.984 1.00 23.35 O ATOM 0 H SER A 16 -0.077 -1.515 -6.047 1.00 44.33 H new ATOM 0 HA SER A 16 1.051 -1.051 -4.201 1.00 33.33 H new ATOM 0 HB2 SER A 16 3.577 -1.849 -5.708 1.00 30.11 H new ATOM 0 HB3 SER A 16 3.347 -1.846 -3.970 1.00 30.11 H new ATOM 0 HG SER A 16 2.662 -3.761 -5.804 1.00 23.35 H new ATOM 248 N GLY A 17 1.576 1.321 -5.850 1.00 55.03 N ATOM 249 CA GLY A 17 1.977 2.711 -5.895 1.00 33.12 C ATOM 250 C GLY A 17 2.529 3.112 -7.243 1.00 31.10 C ATOM 251 O GLY A 17 1.812 3.107 -8.242 1.00 73.14 O ATOM 0 H GLY A 17 0.750 1.094 -6.404 1.00 55.03 H new ATOM 0 HA2 GLY A 17 1.120 3.341 -5.655 1.00 33.12 H new ATOM 0 HA3 GLY A 17 2.731 2.893 -5.129 1.00 33.12 H new ATOM 255 N GLU A 18 3.815 3.426 -7.280 1.00 20.14 N ATOM 256 CA GLU A 18 4.448 3.927 -8.497 1.00 64.55 C ATOM 257 C GLU A 18 4.640 2.809 -9.520 1.00 23.35 C ATOM 258 O GLU A 18 5.063 3.058 -10.651 1.00 23.42 O ATOM 259 CB GLU A 18 5.805 4.556 -8.174 1.00 24.23 C ATOM 260 CG GLU A 18 5.780 5.541 -7.015 1.00 12.24 C ATOM 261 CD GLU A 18 4.734 6.623 -7.176 1.00 30.24 C ATOM 262 OE1 GLU A 18 4.948 7.546 -7.992 1.00 72.33 O ATOM 263 OE2 GLU A 18 3.702 6.554 -6.481 1.00 71.40 O ATOM 0 H GLU A 18 4.444 3.344 -6.481 1.00 20.14 H new ATOM 0 HA GLU A 18 3.789 4.683 -8.924 1.00 64.55 H new ATOM 0 HB2 GLU A 18 6.515 3.761 -7.945 1.00 24.23 H new ATOM 0 HB3 GLU A 18 6.175 5.068 -9.062 1.00 24.23 H new ATOM 0 HG2 GLU A 18 5.592 4.998 -6.089 1.00 12.24 H new ATOM 0 HG3 GLU A 18 6.762 6.005 -6.919 1.00 12.24 H new ATOM 270 N GLY A 19 4.329 1.584 -9.113 1.00 53.01 N ATOM 271 CA GLY A 19 4.501 0.440 -9.986 1.00 15.33 C ATOM 272 C GLY A 19 5.830 -0.249 -9.770 1.00 14.03 C ATOM 273 O GLY A 19 6.385 -0.846 -10.690 1.00 62.44 O ATOM 0 H GLY A 19 3.959 1.363 -8.189 1.00 53.01 H new ATOM 0 HA2 GLY A 19 3.693 -0.271 -9.814 1.00 15.33 H new ATOM 0 HA3 GLY A 19 4.426 0.763 -11.024 1.00 15.33 H new ATOM 277 N THR A 20 6.342 -0.165 -8.552 1.00 14.34 N ATOM 278 CA THR A 20 7.616 -0.778 -8.218 1.00 72.55 C ATOM 279 C THR A 20 7.473 -2.291 -8.075 1.00 70.44 C ATOM 280 O THR A 20 8.069 -3.064 -8.828 1.00 61.23 O ATOM 281 CB THR A 20 8.176 -0.195 -6.911 1.00 5.22 C ATOM 282 OG1 THR A 20 7.147 -0.165 -5.912 1.00 11.23 O ATOM 283 CG2 THR A 20 8.722 1.208 -7.121 1.00 33.12 C ATOM 0 H THR A 20 5.893 0.323 -7.777 1.00 14.34 H new ATOM 0 HA THR A 20 8.307 -0.562 -9.032 1.00 72.55 H new ATOM 0 HB THR A 20 8.994 -0.834 -6.580 1.00 5.22 H new ATOM 0 HG1 THR A 20 7.524 -0.425 -5.046 1.00 11.23 H new ATOM 0 HG21 THR A 20 9.111 1.592 -6.178 1.00 33.12 H new ATOM 0 HG22 THR A 20 9.524 1.180 -7.859 1.00 33.12 H new ATOM 0 HG23 THR A 20 7.924 1.860 -7.477 1.00 33.12 H new ATOM 291 N ASN A 21 6.661 -2.706 -7.114 1.00 0.21 N ATOM 292 CA ASN A 21 6.417 -4.120 -6.879 1.00 21.12 C ATOM 293 C ASN A 21 5.059 -4.519 -7.425 1.00 44.23 C ATOM 294 O ASN A 21 4.039 -4.392 -6.751 1.00 70.24 O ATOM 295 CB ASN A 21 6.504 -4.459 -5.385 1.00 52.00 C ATOM 296 CG ASN A 21 7.933 -4.523 -4.878 1.00 33.44 C ATOM 297 OD1 ASN A 21 8.570 -5.575 -4.925 1.00 33.14 O ATOM 298 ND2 ASN A 21 8.442 -3.411 -4.374 1.00 52.33 N ATOM 0 H ASN A 21 6.159 -2.081 -6.483 1.00 0.21 H new ATOM 0 HA ASN A 21 7.191 -4.684 -7.401 1.00 21.12 H new ATOM 0 HB2 ASN A 21 5.954 -3.710 -4.815 1.00 52.00 H new ATOM 0 HB3 ASN A 21 6.017 -5.417 -5.206 1.00 52.00 H new ATOM 0 HD21 ASN A 21 9.394 -3.406 -4.007 1.00 52.33 H new ATOM 0 HD22 ASN A 21 7.883 -2.558 -4.352 1.00 52.33 H new ATOM 305 N TYR A 22 5.044 -4.996 -8.657 1.00 40.43 N ATOM 306 CA TYR A 22 3.798 -5.382 -9.301 1.00 54.44 C ATOM 307 C TYR A 22 3.513 -6.863 -9.097 1.00 63.31 C ATOM 308 O TYR A 22 2.487 -7.373 -9.540 1.00 73.10 O ATOM 309 CB TYR A 22 3.826 -5.032 -10.795 1.00 20.34 C ATOM 310 CG TYR A 22 5.136 -5.344 -11.492 1.00 4.04 C ATOM 311 CD1 TYR A 22 5.447 -6.638 -11.896 1.00 2.44 C ATOM 312 CD2 TYR A 22 6.056 -4.335 -11.758 1.00 13.01 C ATOM 313 CE1 TYR A 22 6.637 -6.916 -12.544 1.00 11.24 C ATOM 314 CE2 TYR A 22 7.247 -4.607 -12.401 1.00 2.23 C ATOM 315 CZ TYR A 22 7.533 -5.896 -12.792 1.00 71.10 C ATOM 316 OH TYR A 22 8.718 -6.165 -13.441 1.00 61.53 O ATOM 0 H TYR A 22 5.877 -5.126 -9.231 1.00 40.43 H new ATOM 0 HA TYR A 22 2.990 -4.818 -8.835 1.00 54.44 H new ATOM 0 HB2 TYR A 22 3.025 -5.574 -11.297 1.00 20.34 H new ATOM 0 HB3 TYR A 22 3.613 -3.969 -10.910 1.00 20.34 H new ATOM 0 HD1 TYR A 22 4.748 -7.438 -11.701 1.00 2.44 H new ATOM 0 HD2 TYR A 22 5.835 -3.322 -11.456 1.00 13.01 H new ATOM 0 HE1 TYR A 22 6.864 -7.925 -12.854 1.00 11.24 H new ATOM 0 HE2 TYR A 22 7.951 -3.812 -12.597 1.00 2.23 H new ATOM 0 HH TYR A 22 9.234 -5.337 -13.537 1.00 61.53 H new ATOM 326 N ARG A 23 4.422 -7.545 -8.412 1.00 50.11 N ATOM 327 CA ARG A 23 4.262 -8.967 -8.131 1.00 12.22 C ATOM 328 C ARG A 23 3.375 -9.194 -6.906 1.00 33.42 C ATOM 329 O ARG A 23 2.768 -10.253 -6.762 1.00 62.45 O ATOM 330 CB ARG A 23 5.626 -9.630 -7.918 1.00 70.34 C ATOM 331 CG ARG A 23 6.456 -8.988 -6.817 1.00 51.11 C ATOM 332 CD ARG A 23 7.770 -9.720 -6.615 1.00 40.15 C ATOM 333 NE ARG A 23 7.574 -11.093 -6.146 1.00 2.45 N ATOM 334 CZ ARG A 23 8.553 -11.863 -5.672 1.00 22.44 C ATOM 335 NH1 ARG A 23 9.797 -11.402 -5.600 1.00 22.34 N ATOM 336 NH2 ARG A 23 8.288 -13.095 -5.265 1.00 53.12 N ATOM 0 H ARG A 23 5.279 -7.136 -8.040 1.00 50.11 H new ATOM 0 HA ARG A 23 3.776 -9.422 -8.994 1.00 12.22 H new ATOM 0 HB2 ARG A 23 5.474 -10.683 -7.679 1.00 70.34 H new ATOM 0 HB3 ARG A 23 6.187 -9.593 -8.852 1.00 70.34 H new ATOM 0 HG2 ARG A 23 6.653 -7.946 -7.069 1.00 51.11 H new ATOM 0 HG3 ARG A 23 5.890 -8.989 -5.885 1.00 51.11 H new ATOM 0 HD2 ARG A 23 8.323 -9.735 -7.554 1.00 40.15 H new ATOM 0 HD3 ARG A 23 8.380 -9.176 -5.894 1.00 40.15 H new ATOM 0 HE ARG A 23 6.632 -11.483 -6.184 1.00 2.45 H new ATOM 0 HH11 ARG A 23 10.008 -10.453 -5.909 1.00 22.34 H new ATOM 0 HH12 ARG A 23 10.541 -11.997 -5.236 1.00 22.34 H new ATOM 0 HH21 ARG A 23 7.335 -13.454 -5.314 1.00 53.12 H new ATOM 0 HH22 ARG A 23 9.037 -13.684 -4.902 1.00 53.12 H new ATOM 350 N ILE A 24 3.303 -8.199 -6.029 1.00 51.05 N ATOM 351 CA ILE A 24 2.523 -8.327 -4.802 1.00 31.21 C ATOM 352 C ILE A 24 1.101 -7.791 -4.988 1.00 30.11 C ATOM 353 O ILE A 24 0.129 -8.508 -4.752 1.00 75.32 O ATOM 354 CB ILE A 24 3.218 -7.625 -3.606 1.00 22.31 C ATOM 355 CG1 ILE A 24 2.301 -7.606 -2.378 1.00 52.02 C ATOM 356 CG2 ILE A 24 3.665 -6.217 -3.974 1.00 5.42 C ATOM 357 CD1 ILE A 24 2.901 -6.908 -1.176 1.00 62.44 C ATOM 0 H ILE A 24 3.772 -7.300 -6.143 1.00 51.05 H new ATOM 0 HA ILE A 24 2.459 -9.391 -4.574 1.00 31.21 H new ATOM 0 HB ILE A 24 4.110 -8.199 -3.355 1.00 22.31 H new ATOM 0 HG12 ILE A 24 1.366 -7.113 -2.643 1.00 52.02 H new ATOM 0 HG13 ILE A 24 2.055 -8.632 -2.105 1.00 52.02 H new ATOM 0 HG21 ILE A 24 4.148 -5.752 -3.115 1.00 5.42 H new ATOM 0 HG22 ILE A 24 4.369 -6.264 -4.805 1.00 5.42 H new ATOM 0 HG23 ILE A 24 2.798 -5.625 -4.267 1.00 5.42 H new ATOM 0 HD11 ILE A 24 2.193 -6.936 -0.348 1.00 62.44 H new ATOM 0 HD12 ILE A 24 3.821 -7.414 -0.884 1.00 62.44 H new ATOM 0 HD13 ILE A 24 3.122 -5.871 -1.430 1.00 62.44 H new ATOM 369 N ILE A 25 0.981 -6.542 -5.419 1.00 0.43 N ATOM 370 CA ILE A 25 -0.320 -5.936 -5.660 1.00 23.24 C ATOM 371 C ILE A 25 -0.334 -5.307 -7.050 1.00 13.42 C ATOM 372 O ILE A 25 0.652 -4.694 -7.464 1.00 64.31 O ATOM 373 CB ILE A 25 -0.651 -4.844 -4.614 1.00 54.30 C ATOM 374 CG1 ILE A 25 -0.211 -5.258 -3.210 1.00 51.15 C ATOM 375 CG2 ILE A 25 -2.137 -4.536 -4.636 1.00 15.12 C ATOM 376 CD1 ILE A 25 -0.225 -4.115 -2.213 1.00 52.44 C ATOM 0 H ILE A 25 1.773 -5.928 -5.609 1.00 0.43 H new ATOM 0 HA ILE A 25 -1.072 -6.722 -5.582 1.00 23.24 H new ATOM 0 HB ILE A 25 -0.096 -3.944 -4.880 1.00 54.30 H new ATOM 0 HG12 ILE A 25 -0.866 -6.052 -2.851 1.00 51.15 H new ATOM 0 HG13 ILE A 25 0.795 -5.674 -3.260 1.00 51.15 H new ATOM 0 HG21 ILE A 25 -2.360 -3.767 -3.897 1.00 15.12 H new ATOM 0 HG22 ILE A 25 -2.420 -4.180 -5.627 1.00 15.12 H new ATOM 0 HG23 ILE A 25 -2.699 -5.440 -4.400 1.00 15.12 H new ATOM 0 HD11 ILE A 25 0.098 -4.479 -1.238 1.00 52.44 H new ATOM 0 HD12 ILE A 25 0.452 -3.330 -2.550 1.00 52.44 H new ATOM 0 HD13 ILE A 25 -1.235 -3.713 -2.134 1.00 52.44 H new ATOM 388 N GLY A 26 -1.431 -5.464 -7.778 1.00 15.53 N ATOM 389 CA GLY A 26 -1.493 -4.929 -9.126 1.00 35.24 C ATOM 390 C GLY A 26 -2.855 -4.379 -9.499 1.00 3.41 C ATOM 391 O GLY A 26 -3.028 -3.162 -9.611 1.00 14.53 O ATOM 0 H GLY A 26 -2.273 -5.947 -7.464 1.00 15.53 H new ATOM 0 HA2 GLY A 26 -0.751 -4.138 -9.228 1.00 35.24 H new ATOM 0 HA3 GLY A 26 -1.222 -5.714 -9.832 1.00 35.24 H new ATOM 395 N ALA A 27 -3.816 -5.273 -9.692 1.00 74.33 N ATOM 396 CA ALA A 27 -5.141 -4.904 -10.191 1.00 32.15 C ATOM 397 C ALA A 27 -5.991 -4.215 -9.128 1.00 33.02 C ATOM 398 O ALA A 27 -5.476 -3.692 -8.142 1.00 20.13 O ATOM 399 CB ALA A 27 -5.858 -6.143 -10.713 1.00 63.23 C ATOM 0 H ALA A 27 -3.703 -6.270 -9.509 1.00 74.33 H new ATOM 0 HA ALA A 27 -4.999 -4.189 -11.001 1.00 32.15 H new ATOM 0 HB1 ALA A 27 -6.844 -5.864 -11.084 1.00 63.23 H new ATOM 0 HB2 ALA A 27 -5.278 -6.585 -11.523 1.00 63.23 H new ATOM 0 HB3 ALA A 27 -5.966 -6.868 -9.906 1.00 63.23 H new ATOM 405 N LEU A 28 -7.297 -4.190 -9.377 1.00 71.41 N ATOM 406 CA LEU A 28 -8.278 -3.633 -8.451 1.00 1.00 C ATOM 407 C LEU A 28 -8.798 -4.743 -7.535 1.00 53.02 C ATOM 408 O LEU A 28 -9.766 -5.427 -7.865 1.00 75.52 O ATOM 409 CB LEU A 28 -9.441 -2.996 -9.228 1.00 32.25 C ATOM 410 CG LEU A 28 -10.131 -1.798 -8.558 1.00 43.15 C ATOM 411 CD1 LEU A 28 -11.255 -1.280 -9.441 1.00 14.10 C ATOM 412 CD2 LEU A 28 -10.673 -2.160 -7.181 1.00 74.23 C ATOM 0 H LEU A 28 -7.708 -4.559 -10.235 1.00 71.41 H new ATOM 0 HA LEU A 28 -7.804 -2.860 -7.846 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -9.068 -2.676 -10.201 1.00 32.25 H new ATOM 0 HB3 LEU A 28 -10.192 -3.765 -9.412 1.00 32.25 H new ATOM 0 HG LEU A 28 -9.384 -1.015 -8.427 1.00 43.15 H new ATOM 0 HD11 LEU A 28 -11.737 -0.431 -8.956 1.00 14.10 H new ATOM 0 HD12 LEU A 28 -10.847 -0.966 -10.402 1.00 14.10 H new ATOM 0 HD13 LEU A 28 -11.988 -2.071 -9.599 1.00 14.10 H new ATOM 0 HD21 LEU A 28 -11.154 -1.288 -6.738 1.00 74.23 H new ATOM 0 HD22 LEU A 28 -11.401 -2.966 -7.277 1.00 74.23 H new ATOM 0 HD23 LEU A 28 -9.853 -2.486 -6.541 1.00 74.23 H new ATOM 424 N PRO A 29 -8.144 -4.956 -6.385 1.00 73.02 N ATOM 425 CA PRO A 29 -8.393 -6.120 -5.532 1.00 4.04 C ATOM 426 C PRO A 29 -9.607 -5.944 -4.614 1.00 63.40 C ATOM 427 O PRO A 29 -9.857 -6.778 -3.738 1.00 54.21 O ATOM 428 CB PRO A 29 -7.102 -6.193 -4.724 1.00 72.41 C ATOM 429 CG PRO A 29 -6.717 -4.770 -4.530 1.00 32.24 C ATOM 430 CD PRO A 29 -7.138 -4.054 -5.786 1.00 72.51 C ATOM 0 HA PRO A 29 -8.627 -7.019 -6.102 1.00 4.04 H new ATOM 0 HB2 PRO A 29 -7.256 -6.698 -3.771 1.00 72.41 H new ATOM 0 HB3 PRO A 29 -6.329 -6.747 -5.257 1.00 72.41 H new ATOM 0 HG2 PRO A 29 -7.211 -4.347 -3.655 1.00 32.24 H new ATOM 0 HG3 PRO A 29 -5.643 -4.674 -4.367 1.00 32.24 H new ATOM 0 HD2 PRO A 29 -7.560 -3.074 -5.565 1.00 72.51 H new ATOM 0 HD3 PRO A 29 -6.294 -3.894 -6.457 1.00 72.51 H new ATOM 438 N GLN A 30 -10.335 -4.841 -4.816 1.00 44.33 N ATOM 439 CA GLN A 30 -11.493 -4.472 -3.991 1.00 25.24 C ATOM 440 C GLN A 30 -11.060 -4.038 -2.591 1.00 22.05 C ATOM 441 O GLN A 30 -11.201 -2.874 -2.225 1.00 73.11 O ATOM 442 CB GLN A 30 -12.517 -5.615 -3.902 1.00 31.32 C ATOM 443 CG GLN A 30 -13.347 -5.810 -5.163 1.00 0.34 C ATOM 444 CD GLN A 30 -14.109 -4.559 -5.553 1.00 2.33 C ATOM 445 OE1 GLN A 30 -13.560 -3.797 -6.480 1.00 14.44 O flip ATOM 446 NE2 GLN A 30 -15.204 -4.302 -5.055 1.00 64.32 N flip ATOM 0 H GLN A 30 -10.137 -4.174 -5.561 1.00 44.33 H new ATOM 0 HA GLN A 30 -11.975 -3.626 -4.481 1.00 25.24 H new ATOM 0 HB2 GLN A 30 -11.990 -6.543 -3.680 1.00 31.32 H new ATOM 0 HB3 GLN A 30 -13.188 -5.422 -3.065 1.00 31.32 H new ATOM 0 HG2 GLN A 30 -12.692 -6.104 -5.984 1.00 0.34 H new ATOM 0 HG3 GLN A 30 -14.051 -6.628 -5.008 1.00 0.34 H new ATOM 0 HE21 GLN A 30 -15.596 -4.915 -4.340 1.00 64.32 H new ATOM 0 HE22 GLN A 30 -15.720 -3.476 -5.357 1.00 64.32 H new ATOM 455 N GLY A 31 -10.534 -4.975 -1.816 1.00 63.54 N ATOM 456 CA GLY A 31 -10.065 -4.656 -0.485 1.00 1.15 C ATOM 457 C GLY A 31 -10.626 -5.581 0.568 1.00 0.40 C ATOM 458 O GLY A 31 -11.548 -5.214 1.294 1.00 52.22 O ATOM 0 H GLY A 31 -10.424 -5.952 -2.087 1.00 63.54 H new ATOM 0 HA2 GLY A 31 -8.976 -4.708 -0.466 1.00 1.15 H new ATOM 0 HA3 GLY A 31 -10.339 -3.629 -0.244 1.00 1.15 H new ATOM 462 N GLN A 32 -10.066 -6.784 0.651 1.00 51.32 N ATOM 463 CA GLN A 32 -10.498 -7.773 1.633 1.00 32.13 C ATOM 464 C GLN A 32 -10.231 -7.274 3.056 1.00 20.41 C ATOM 465 O GLN A 32 -11.117 -7.290 3.910 1.00 61.11 O ATOM 466 CB GLN A 32 -9.798 -9.119 1.376 1.00 72.24 C ATOM 467 CG GLN A 32 -8.282 -9.033 1.287 1.00 61.10 C ATOM 468 CD GLN A 32 -7.647 -10.359 0.911 1.00 54.31 C ATOM 469 OE1 GLN A 32 -7.445 -10.654 -0.267 1.00 41.12 O ATOM 470 NE2 GLN A 32 -7.333 -11.166 1.908 1.00 23.40 N ATOM 0 H GLN A 32 -9.307 -7.099 0.046 1.00 51.32 H new ATOM 0 HA GLN A 32 -11.573 -7.923 1.529 1.00 32.13 H new ATOM 0 HB2 GLN A 32 -10.064 -9.811 2.175 1.00 72.24 H new ATOM 0 HB3 GLN A 32 -10.181 -9.542 0.447 1.00 72.24 H new ATOM 0 HG2 GLN A 32 -8.007 -8.279 0.549 1.00 61.10 H new ATOM 0 HG3 GLN A 32 -7.883 -8.701 2.246 1.00 61.10 H new ATOM 0 HE21 GLN A 32 -7.517 -10.883 2.871 1.00 23.40 H new ATOM 0 HE22 GLN A 32 -6.906 -12.072 1.716 1.00 23.40 H new ATOM 479 N LYS A 33 -9.001 -6.837 3.294 1.00 53.14 N ATOM 480 CA LYS A 33 -8.618 -6.218 4.561 1.00 4.22 C ATOM 481 C LYS A 33 -7.693 -5.049 4.264 1.00 42.42 C ATOM 482 O LYS A 33 -6.964 -4.563 5.131 1.00 61.13 O ATOM 483 CB LYS A 33 -7.905 -7.226 5.476 1.00 51.32 C ATOM 484 CG LYS A 33 -8.763 -8.412 5.888 1.00 53.41 C ATOM 485 CD LYS A 33 -8.016 -9.346 6.829 1.00 3.25 C ATOM 486 CE LYS A 33 -7.637 -8.655 8.133 1.00 40.04 C ATOM 487 NZ LYS A 33 -6.969 -9.588 9.080 1.00 63.34 N ATOM 0 H LYS A 33 -8.241 -6.900 2.617 1.00 53.14 H new ATOM 0 HA LYS A 33 -9.514 -5.875 5.078 1.00 4.22 H new ATOM 0 HB2 LYS A 33 -7.015 -7.596 4.966 1.00 51.32 H new ATOM 0 HB3 LYS A 33 -7.566 -6.708 6.373 1.00 51.32 H new ATOM 0 HG2 LYS A 33 -9.670 -8.054 6.375 1.00 53.41 H new ATOM 0 HG3 LYS A 33 -9.074 -8.962 5.000 1.00 53.41 H new ATOM 0 HD2 LYS A 33 -8.637 -10.215 7.046 1.00 3.25 H new ATOM 0 HD3 LYS A 33 -7.115 -9.712 6.337 1.00 3.25 H new ATOM 0 HE2 LYS A 33 -6.974 -7.817 7.920 1.00 40.04 H new ATOM 0 HE3 LYS A 33 -8.532 -8.243 8.599 1.00 40.04 H new ATOM 0 HZ1 LYS A 33 -6.727 -9.080 9.955 1.00 63.34 H new ATOM 0 HZ2 LYS A 33 -7.611 -10.375 9.303 1.00 63.34 H new ATOM 0 HZ3 LYS A 33 -6.101 -9.962 8.645 1.00 63.34 H new ATOM 501 N VAL A 34 -7.751 -4.597 3.020 1.00 70.43 N ATOM 502 CA VAL A 34 -6.790 -3.643 2.500 1.00 1.23 C ATOM 503 C VAL A 34 -7.487 -2.472 1.825 1.00 41.31 C ATOM 504 O VAL A 34 -8.181 -2.655 0.829 1.00 70.03 O ATOM 505 CB VAL A 34 -5.862 -4.307 1.457 1.00 20.43 C ATOM 506 CG1 VAL A 34 -4.709 -3.388 1.111 1.00 35.15 C ATOM 507 CG2 VAL A 34 -5.352 -5.655 1.944 1.00 70.33 C ATOM 0 H VAL A 34 -8.463 -4.881 2.347 1.00 70.43 H new ATOM 0 HA VAL A 34 -6.208 -3.288 3.350 1.00 1.23 H new ATOM 0 HB VAL A 34 -6.447 -4.484 0.554 1.00 20.43 H new ATOM 0 HG11 VAL A 34 -4.066 -3.872 0.376 1.00 35.15 H new ATOM 0 HG12 VAL A 34 -5.097 -2.457 0.697 1.00 35.15 H new ATOM 0 HG13 VAL A 34 -4.133 -3.173 2.011 1.00 35.15 H new ATOM 0 HG21 VAL A 34 -4.703 -6.094 1.186 1.00 70.33 H new ATOM 0 HG22 VAL A 34 -4.791 -5.519 2.868 1.00 70.33 H new ATOM 0 HG23 VAL A 34 -6.197 -6.319 2.127 1.00 70.33 H new ATOM 517 N GLN A 35 -7.312 -1.278 2.370 1.00 5.20 N ATOM 518 CA GLN A 35 -7.744 -0.076 1.680 1.00 24.43 C ATOM 519 C GLN A 35 -6.781 1.081 1.963 1.00 31.33 C ATOM 520 O GLN A 35 -5.828 1.282 1.213 1.00 34.20 O ATOM 521 CB GLN A 35 -9.214 0.291 1.996 1.00 72.42 C ATOM 522 CG GLN A 35 -9.573 0.450 3.475 1.00 32.54 C ATOM 523 CD GLN A 35 -9.672 -0.866 4.232 1.00 4.02 C ATOM 524 OE1 GLN A 35 -9.987 -1.909 3.664 1.00 11.45 O ATOM 525 NE2 GLN A 35 -9.437 -0.816 5.531 1.00 12.11 N ATOM 0 H GLN A 35 -6.878 -1.117 3.279 1.00 5.20 H new ATOM 0 HA GLN A 35 -7.715 -0.280 0.610 1.00 24.43 H new ATOM 0 HB2 GLN A 35 -9.451 1.224 1.485 1.00 72.42 H new ATOM 0 HB3 GLN A 35 -9.857 -0.478 1.569 1.00 72.42 H new ATOM 0 HG2 GLN A 35 -8.823 1.078 3.955 1.00 32.54 H new ATOM 0 HG3 GLN A 35 -10.525 0.975 3.553 1.00 32.54 H new ATOM 0 HE21 GLN A 35 -9.178 0.068 5.969 1.00 12.11 H new ATOM 0 HE22 GLN A 35 -9.515 -1.661 6.096 1.00 12.11 H new ATOM 534 N VAL A 36 -6.992 1.809 3.055 1.00 20.14 N ATOM 535 CA VAL A 36 -6.107 2.906 3.436 1.00 54.30 C ATOM 536 C VAL A 36 -5.987 2.970 4.954 1.00 71.10 C ATOM 537 O VAL A 36 -6.974 3.219 5.646 1.00 64.42 O ATOM 538 CB VAL A 36 -6.614 4.283 2.922 1.00 61.23 C ATOM 539 CG1 VAL A 36 -5.674 5.402 3.355 1.00 2.51 C ATOM 540 CG2 VAL A 36 -6.777 4.288 1.406 1.00 14.43 C ATOM 0 H VAL A 36 -7.772 1.658 3.695 1.00 20.14 H new ATOM 0 HA VAL A 36 -5.139 2.706 2.977 1.00 54.30 H new ATOM 0 HB VAL A 36 -7.594 4.457 3.367 1.00 61.23 H new ATOM 0 HG11 VAL A 36 -6.049 6.356 2.984 1.00 2.51 H new ATOM 0 HG12 VAL A 36 -5.621 5.432 4.443 1.00 2.51 H new ATOM 0 HG13 VAL A 36 -4.680 5.220 2.948 1.00 2.51 H new ATOM 0 HG21 VAL A 36 -7.133 5.266 1.082 1.00 14.43 H new ATOM 0 HG22 VAL A 36 -5.816 4.077 0.936 1.00 14.43 H new ATOM 0 HG23 VAL A 36 -7.499 3.525 1.115 1.00 14.43 H new ATOM 550 N ILE A 37 -4.794 2.718 5.475 1.00 12.12 N ATOM 551 CA ILE A 37 -4.562 2.847 6.906 1.00 24.14 C ATOM 552 C ILE A 37 -3.881 4.175 7.216 1.00 43.22 C ATOM 553 O ILE A 37 -4.406 4.984 7.982 1.00 24.01 O ATOM 554 CB ILE A 37 -3.720 1.679 7.466 1.00 44.13 C ATOM 555 CG1 ILE A 37 -4.392 0.340 7.149 1.00 15.12 C ATOM 556 CG2 ILE A 37 -3.528 1.834 8.968 1.00 3.43 C ATOM 557 CD1 ILE A 37 -3.428 -0.728 6.690 1.00 73.32 C ATOM 0 H ILE A 37 -3.980 2.426 4.934 1.00 12.12 H new ATOM 0 HA ILE A 37 -5.536 2.816 7.394 1.00 24.14 H new ATOM 0 HB ILE A 37 -2.740 1.698 6.989 1.00 44.13 H new ATOM 0 HG12 ILE A 37 -4.916 -0.013 8.037 1.00 15.12 H new ATOM 0 HG13 ILE A 37 -5.144 0.495 6.376 1.00 15.12 H new ATOM 0 HG21 ILE A 37 -2.933 1.003 9.346 1.00 3.43 H new ATOM 0 HG22 ILE A 37 -3.013 2.772 9.174 1.00 3.43 H new ATOM 0 HG23 ILE A 37 -4.500 1.838 9.461 1.00 3.43 H new ATOM 0 HD11 ILE A 37 -3.975 -1.648 6.484 1.00 73.32 H new ATOM 0 HD12 ILE A 37 -2.922 -0.396 5.783 1.00 73.32 H new ATOM 0 HD13 ILE A 37 -2.690 -0.912 7.471 1.00 73.32 H new ATOM 569 N SER A 38 -2.730 4.412 6.597 1.00 53.32 N ATOM 570 CA SER A 38 -2.032 5.677 6.752 1.00 21.42 C ATOM 571 C SER A 38 -0.932 5.797 5.720 1.00 13.24 C ATOM 572 O SER A 38 -0.402 4.794 5.241 1.00 33.24 O ATOM 573 CB SER A 38 -1.453 5.812 8.164 1.00 5.13 C ATOM 574 OG SER A 38 -0.812 7.063 8.348 1.00 14.14 O ATOM 0 H SER A 38 -2.263 3.744 5.984 1.00 53.32 H new ATOM 0 HA SER A 38 -2.749 6.484 6.599 1.00 21.42 H new ATOM 0 HB2 SER A 38 -2.252 5.700 8.897 1.00 5.13 H new ATOM 0 HB3 SER A 38 -0.740 5.007 8.344 1.00 5.13 H new ATOM 0 HG SER A 38 -0.456 7.117 9.259 1.00 14.14 H new ATOM 580 N GLU A 39 -0.604 7.028 5.382 1.00 14.30 N ATOM 581 CA GLU A 39 0.422 7.301 4.395 1.00 44.44 C ATOM 582 C GLU A 39 1.577 8.063 5.028 1.00 74.22 C ATOM 583 O GLU A 39 1.381 8.829 5.976 1.00 53.21 O ATOM 584 CB GLU A 39 -0.146 8.107 3.226 1.00 61.13 C ATOM 585 CG GLU A 39 -0.651 9.482 3.618 1.00 64.22 C ATOM 586 CD GLU A 39 -0.739 10.418 2.433 1.00 74.32 C ATOM 587 OE1 GLU A 39 -1.778 10.428 1.745 1.00 72.15 O ATOM 588 OE2 GLU A 39 0.241 11.156 2.185 1.00 71.24 O ATOM 0 H GLU A 39 -1.037 7.861 5.780 1.00 14.30 H new ATOM 0 HA GLU A 39 0.786 6.346 4.017 1.00 44.44 H new ATOM 0 HB2 GLU A 39 0.626 8.217 2.464 1.00 61.13 H new ATOM 0 HB3 GLU A 39 -0.963 7.546 2.773 1.00 61.13 H new ATOM 0 HG2 GLU A 39 -1.634 9.388 4.078 1.00 64.22 H new ATOM 0 HG3 GLU A 39 0.013 9.911 4.369 1.00 64.22 H new ATOM 595 N ASN A 40 2.770 7.847 4.505 1.00 14.42 N ATOM 596 CA ASN A 40 3.959 8.520 4.996 1.00 70.24 C ATOM 597 C ASN A 40 5.055 8.468 3.939 1.00 35.43 C ATOM 598 O ASN A 40 5.327 7.405 3.372 1.00 0.42 O ATOM 599 CB ASN A 40 4.446 7.858 6.288 1.00 33.32 C ATOM 600 CG ASN A 40 5.355 8.754 7.111 1.00 3.22 C ATOM 601 OD1 ASN A 40 6.087 9.587 6.579 1.00 5.54 O ATOM 602 ND2 ASN A 40 5.299 8.592 8.425 1.00 22.51 N ATOM 0 H ASN A 40 2.942 7.204 3.732 1.00 14.42 H new ATOM 0 HA ASN A 40 3.714 9.561 5.207 1.00 70.24 H new ATOM 0 HB2 ASN A 40 3.584 7.574 6.891 1.00 33.32 H new ATOM 0 HB3 ASN A 40 4.978 6.940 6.040 1.00 33.32 H new ATOM 0 HD21 ASN A 40 5.877 9.170 9.035 1.00 22.51 H new ATOM 0 HD22 ASN A 40 4.678 7.889 8.826 1.00 22.51 H new ATOM 609 N SER A 41 5.655 9.625 3.656 1.00 34.14 N ATOM 610 CA SER A 41 6.785 9.720 2.732 1.00 62.22 C ATOM 611 C SER A 41 6.331 9.509 1.279 1.00 74.23 C ATOM 612 O SER A 41 7.114 9.117 0.414 1.00 44.35 O ATOM 613 CB SER A 41 7.875 8.710 3.134 1.00 70.41 C ATOM 614 OG SER A 41 9.065 8.883 2.381 1.00 23.10 O ATOM 0 H SER A 41 5.373 10.519 4.059 1.00 34.14 H new ATOM 0 HA SER A 41 7.206 10.724 2.794 1.00 62.22 H new ATOM 0 HB2 SER A 41 8.098 8.821 4.195 1.00 70.41 H new ATOM 0 HB3 SER A 41 7.500 7.696 2.992 1.00 70.41 H new ATOM 0 HG SER A 41 8.848 8.896 1.425 1.00 23.10 H new ATOM 620 N GLY A 42 5.059 9.782 1.017 1.00 41.00 N ATOM 621 CA GLY A 42 4.548 9.717 -0.340 1.00 64.12 C ATOM 622 C GLY A 42 3.762 8.450 -0.613 1.00 13.23 C ATOM 623 O GLY A 42 2.957 8.402 -1.546 1.00 12.21 O ATOM 0 H GLY A 42 4.370 10.048 1.721 1.00 41.00 H new ATOM 0 HA2 GLY A 42 3.910 10.581 -0.525 1.00 64.12 H new ATOM 0 HA3 GLY A 42 5.381 9.780 -1.040 1.00 64.12 H new ATOM 627 N TRP A 43 3.991 7.429 0.194 1.00 22.10 N ATOM 628 CA TRP A 43 3.304 6.155 0.026 1.00 35.35 C ATOM 629 C TRP A 43 2.482 5.816 1.257 1.00 62.13 C ATOM 630 O TRP A 43 2.801 6.239 2.365 1.00 22.42 O ATOM 631 CB TRP A 43 4.299 5.028 -0.250 1.00 4.44 C ATOM 632 CG TRP A 43 4.638 4.843 -1.698 1.00 64.44 C ATOM 633 CD1 TRP A 43 4.146 5.542 -2.765 1.00 74.13 C ATOM 634 CD2 TRP A 43 5.534 3.870 -2.237 1.00 24.43 C ATOM 635 NE1 TRP A 43 4.691 5.067 -3.934 1.00 32.24 N ATOM 636 CE2 TRP A 43 5.548 4.036 -3.635 1.00 42.20 C ATOM 637 CE3 TRP A 43 6.330 2.877 -1.669 1.00 4.22 C ATOM 638 CZ2 TRP A 43 6.332 3.240 -4.472 1.00 25.21 C ATOM 639 CZ3 TRP A 43 7.103 2.088 -2.497 1.00 3.13 C ATOM 640 CH2 TRP A 43 7.099 2.273 -3.884 1.00 64.51 C ATOM 0 H TRP A 43 4.648 7.455 0.974 1.00 22.10 H new ATOM 0 HA TRP A 43 2.637 6.254 -0.830 1.00 35.35 H new ATOM 0 HB2 TRP A 43 5.217 5.227 0.303 1.00 4.44 H new ATOM 0 HB3 TRP A 43 3.889 4.095 0.137 1.00 4.44 H new ATOM 0 HD1 TRP A 43 3.433 6.350 -2.699 1.00 74.13 H new ATOM 0 HE1 TRP A 43 4.492 5.422 -4.869 1.00 32.24 H new ATOM 0 HE3 TRP A 43 6.342 2.727 -0.599 1.00 4.22 H new ATOM 0 HZ2 TRP A 43 6.333 3.383 -5.543 1.00 25.21 H new ATOM 0 HZ3 TRP A 43 7.722 1.314 -2.067 1.00 3.13 H new ATOM 0 HH2 TRP A 43 7.715 1.638 -4.503 1.00 64.51 H new ATOM 651 N SER A 44 1.429 5.050 1.053 1.00 0.24 N ATOM 652 CA SER A 44 0.583 4.596 2.141 1.00 72.24 C ATOM 653 C SER A 44 0.998 3.193 2.557 1.00 64.35 C ATOM 654 O SER A 44 1.269 2.341 1.706 1.00 1.45 O ATOM 655 CB SER A 44 -0.883 4.608 1.713 1.00 45.24 C ATOM 656 OG SER A 44 -1.277 5.897 1.273 1.00 21.20 O ATOM 0 H SER A 44 1.135 4.725 0.132 1.00 0.24 H new ATOM 0 HA SER A 44 0.700 5.271 2.989 1.00 72.24 H new ATOM 0 HB2 SER A 44 -1.037 3.885 0.912 1.00 45.24 H new ATOM 0 HB3 SER A 44 -1.511 4.298 2.548 1.00 45.24 H new ATOM 0 HG SER A 44 -2.090 6.170 1.747 1.00 21.20 H new ATOM 662 N LYS A 45 1.057 2.955 3.855 1.00 53.11 N ATOM 663 CA LYS A 45 1.489 1.688 4.373 1.00 72.12 C ATOM 664 C LYS A 45 0.277 0.837 4.740 1.00 2.21 C ATOM 665 O LYS A 45 -0.638 1.301 5.428 1.00 32.32 O ATOM 666 CB LYS A 45 2.389 1.939 5.578 1.00 3.20 C ATOM 667 CG LYS A 45 3.137 0.711 6.050 1.00 42.04 C ATOM 668 CD LYS A 45 2.326 -0.068 7.061 1.00 73.02 C ATOM 669 CE LYS A 45 2.194 0.701 8.360 1.00 12.34 C ATOM 670 NZ LYS A 45 1.577 -0.116 9.433 1.00 21.34 N ATOM 0 H LYS A 45 0.806 3.638 4.570 1.00 53.11 H new ATOM 0 HA LYS A 45 2.056 1.139 3.621 1.00 72.12 H new ATOM 0 HB2 LYS A 45 3.110 2.717 5.325 1.00 3.20 H new ATOM 0 HB3 LYS A 45 1.782 2.321 6.399 1.00 3.20 H new ATOM 0 HG2 LYS A 45 3.369 0.073 5.197 1.00 42.04 H new ATOM 0 HG3 LYS A 45 4.087 1.009 6.494 1.00 42.04 H new ATOM 0 HD2 LYS A 45 1.336 -0.276 6.655 1.00 73.02 H new ATOM 0 HD3 LYS A 45 2.802 -1.030 7.251 1.00 73.02 H new ATOM 0 HE2 LYS A 45 3.179 1.038 8.683 1.00 12.34 H new ATOM 0 HE3 LYS A 45 1.591 1.593 8.193 1.00 12.34 H new ATOM 0 HZ1 LYS A 45 1.506 0.450 10.303 1.00 21.34 H new ATOM 0 HZ2 LYS A 45 0.626 -0.417 9.137 1.00 21.34 H new ATOM 0 HZ3 LYS A 45 2.165 -0.955 9.612 1.00 21.34 H new ATOM 684 N ILE A 46 0.280 -0.405 4.281 1.00 44.24 N ATOM 685 CA ILE A 46 -0.862 -1.296 4.449 1.00 65.12 C ATOM 686 C ILE A 46 -0.404 -2.736 4.660 1.00 31.41 C ATOM 687 O ILE A 46 0.778 -3.053 4.522 1.00 22.05 O ATOM 688 CB ILE A 46 -1.797 -1.261 3.216 1.00 3.10 C ATOM 689 CG1 ILE A 46 -0.989 -1.528 1.941 1.00 34.03 C ATOM 690 CG2 ILE A 46 -2.537 0.072 3.126 1.00 31.23 C ATOM 691 CD1 ILE A 46 -1.832 -1.604 0.692 1.00 44.04 C ATOM 0 H ILE A 46 1.067 -0.823 3.785 1.00 44.24 H new ATOM 0 HA ILE A 46 -1.405 -0.944 5.326 1.00 65.12 H new ATOM 0 HB ILE A 46 -2.547 -2.045 3.325 1.00 3.10 H new ATOM 0 HG12 ILE A 46 -0.247 -0.739 1.820 1.00 34.03 H new ATOM 0 HG13 ILE A 46 -0.443 -2.464 2.057 1.00 34.03 H new ATOM 0 HG21 ILE A 46 -3.187 0.069 2.251 1.00 31.23 H new ATOM 0 HG22 ILE A 46 -3.138 0.216 4.024 1.00 31.23 H new ATOM 0 HG23 ILE A 46 -1.815 0.884 3.039 1.00 31.23 H new ATOM 0 HD11 ILE A 46 -1.191 -1.795 -0.169 1.00 44.04 H new ATOM 0 HD12 ILE A 46 -2.557 -2.412 0.791 1.00 44.04 H new ATOM 0 HD13 ILE A 46 -2.358 -0.660 0.550 1.00 44.04 H new ATOM 703 N ASN A 47 -1.348 -3.599 5.002 1.00 4.40 N ATOM 704 CA ASN A 47 -1.090 -5.031 5.077 1.00 33.31 C ATOM 705 C ASN A 47 -1.880 -5.733 3.983 1.00 41.42 C ATOM 706 O ASN A 47 -3.110 -5.752 4.016 1.00 5.23 O ATOM 707 CB ASN A 47 -1.485 -5.579 6.453 1.00 22.04 C ATOM 708 CG ASN A 47 -1.330 -7.088 6.548 1.00 64.23 C ATOM 709 OD1 ASN A 47 -2.245 -7.842 6.215 1.00 62.43 O ATOM 710 ND2 ASN A 47 -0.178 -7.544 7.019 1.00 5.33 N ATOM 0 H ASN A 47 -2.305 -3.332 5.233 1.00 4.40 H new ATOM 0 HA ASN A 47 -0.025 -5.214 4.935 1.00 33.31 H new ATOM 0 HB2 ASN A 47 -0.870 -5.105 7.219 1.00 22.04 H new ATOM 0 HB3 ASN A 47 -2.520 -5.310 6.664 1.00 22.04 H new ATOM 0 HD21 ASN A 47 -0.028 -8.548 7.115 1.00 5.33 H new ATOM 0 HD22 ASN A 47 0.559 -6.891 7.285 1.00 5.33 H new ATOM 717 N TYR A 48 -1.176 -6.310 3.020 1.00 0.43 N ATOM 718 CA TYR A 48 -1.812 -6.918 1.861 1.00 13.42 C ATOM 719 C TYR A 48 -1.671 -8.432 1.914 1.00 0.12 C ATOM 720 O TYR A 48 -0.579 -8.966 1.726 1.00 21.40 O ATOM 721 CB TYR A 48 -1.185 -6.377 0.566 1.00 54.03 C ATOM 722 CG TYR A 48 -1.956 -6.739 -0.695 1.00 71.31 C ATOM 723 CD1 TYR A 48 -3.106 -6.047 -1.054 1.00 5.31 C ATOM 724 CD2 TYR A 48 -1.538 -7.777 -1.518 1.00 14.33 C ATOM 725 CE1 TYR A 48 -3.817 -6.376 -2.193 1.00 24.15 C ATOM 726 CE2 TYR A 48 -2.245 -8.117 -2.658 1.00 43.31 C ATOM 727 CZ TYR A 48 -3.383 -7.413 -2.990 1.00 64.42 C ATOM 728 OH TYR A 48 -4.087 -7.742 -4.126 1.00 52.31 O ATOM 0 H TYR A 48 -0.158 -6.370 3.019 1.00 0.43 H new ATOM 0 HA TYR A 48 -2.872 -6.663 1.874 1.00 13.42 H new ATOM 0 HB2 TYR A 48 -1.112 -5.292 0.636 1.00 54.03 H new ATOM 0 HB3 TYR A 48 -0.168 -6.760 0.480 1.00 54.03 H new ATOM 0 HD1 TYR A 48 -3.452 -5.236 -0.431 1.00 5.31 H new ATOM 0 HD2 TYR A 48 -0.645 -8.329 -1.264 1.00 14.33 H new ATOM 0 HE1 TYR A 48 -4.707 -5.824 -2.457 1.00 24.15 H new ATOM 0 HE2 TYR A 48 -1.907 -8.929 -3.284 1.00 43.31 H new ATOM 0 HH TYR A 48 -3.649 -8.494 -4.576 1.00 52.31 H new ATOM 738 N ASN A 49 -2.773 -9.114 2.212 1.00 61.14 N ATOM 739 CA ASN A 49 -2.817 -10.576 2.197 1.00 64.42 C ATOM 740 C ASN A 49 -1.860 -11.157 3.246 1.00 54.31 C ATOM 741 O ASN A 49 -1.254 -12.214 3.055 1.00 53.23 O ATOM 742 CB ASN A 49 -2.475 -11.090 0.786 1.00 12.40 C ATOM 743 CG ASN A 49 -2.698 -12.583 0.610 1.00 43.32 C ATOM 744 OD1 ASN A 49 -3.711 -13.128 1.267 1.00 75.12 O flip ATOM 745 ND2 ASN A 49 -1.959 -13.243 -0.119 1.00 30.33 N flip ATOM 0 H ASN A 49 -3.656 -8.674 2.469 1.00 61.14 H new ATOM 0 HA ASN A 49 -3.824 -10.906 2.452 1.00 64.42 H new ATOM 0 HB2 ASN A 49 -3.081 -10.552 0.056 1.00 12.40 H new ATOM 0 HB3 ASN A 49 -1.432 -10.859 0.567 1.00 12.40 H new ATOM 0 HD21 ASN A 49 -1.188 -12.789 -0.609 1.00 30.33 H new ATOM 0 HD22 ASN A 49 -2.117 -14.244 -0.233 1.00 30.33 H new ATOM 752 N GLY A 50 -1.731 -10.455 4.365 1.00 55.12 N ATOM 753 CA GLY A 50 -0.937 -10.955 5.472 1.00 51.32 C ATOM 754 C GLY A 50 0.500 -10.474 5.453 1.00 74.21 C ATOM 755 O GLY A 50 1.262 -10.762 6.375 1.00 4.02 O ATOM 0 H GLY A 50 -2.163 -9.545 4.526 1.00 55.12 H new ATOM 0 HA2 GLY A 50 -1.402 -10.649 6.409 1.00 51.32 H new ATOM 0 HA3 GLY A 50 -0.947 -12.045 5.453 1.00 51.32 H new ATOM 759 N GLN A 51 0.884 -9.740 4.417 1.00 63.05 N ATOM 760 CA GLN A 51 2.248 -9.241 4.314 1.00 52.54 C ATOM 761 C GLN A 51 2.266 -7.718 4.249 1.00 31.53 C ATOM 762 O GLN A 51 1.270 -7.089 3.889 1.00 71.23 O ATOM 763 CB GLN A 51 2.954 -9.843 3.095 1.00 23.51 C ATOM 764 CG GLN A 51 2.418 -9.365 1.756 1.00 13.52 C ATOM 765 CD GLN A 51 3.006 -10.136 0.587 1.00 60.41 C ATOM 766 OE1 GLN A 51 4.052 -9.770 0.049 1.00 4.33 O ATOM 767 NE2 GLN A 51 2.339 -11.208 0.182 1.00 75.24 N ATOM 0 H GLN A 51 0.275 -9.479 3.642 1.00 63.05 H new ATOM 0 HA GLN A 51 2.789 -9.548 5.209 1.00 52.54 H new ATOM 0 HB2 GLN A 51 4.016 -9.606 3.152 1.00 23.51 H new ATOM 0 HB3 GLN A 51 2.867 -10.929 3.140 1.00 23.51 H new ATOM 0 HG2 GLN A 51 1.333 -9.466 1.745 1.00 13.52 H new ATOM 0 HG3 GLN A 51 2.640 -8.305 1.637 1.00 13.52 H new ATOM 0 HE21 GLN A 51 1.476 -11.480 0.653 1.00 75.24 H new ATOM 0 HE22 GLN A 51 2.689 -11.761 -0.600 1.00 75.24 H new ATOM 776 N THR A 52 3.396 -7.136 4.611 1.00 13.32 N ATOM 777 CA THR A 52 3.547 -5.688 4.626 1.00 74.44 C ATOM 778 C THR A 52 3.641 -5.139 3.204 1.00 41.54 C ATOM 779 O THR A 52 4.480 -5.575 2.415 1.00 33.20 O ATOM 780 CB THR A 52 4.806 -5.286 5.419 1.00 45.02 C ATOM 781 OG1 THR A 52 4.840 -6.001 6.662 1.00 63.03 O ATOM 782 CG2 THR A 52 4.824 -3.791 5.696 1.00 64.00 C ATOM 0 H THR A 52 4.230 -7.647 4.901 1.00 13.32 H new ATOM 0 HA THR A 52 2.668 -5.263 5.110 1.00 74.44 H new ATOM 0 HB THR A 52 5.682 -5.537 4.820 1.00 45.02 H new ATOM 0 HG1 THR A 52 5.642 -5.746 7.164 1.00 63.03 H new ATOM 0 HG21 THR A 52 5.723 -3.536 6.257 1.00 64.00 H new ATOM 0 HG22 THR A 52 4.818 -3.246 4.752 1.00 64.00 H new ATOM 0 HG23 THR A 52 3.944 -3.518 6.278 1.00 64.00 H new ATOM 790 N GLY A 53 2.775 -4.192 2.879 1.00 35.14 N ATOM 791 CA GLY A 53 2.766 -3.630 1.549 1.00 50.24 C ATOM 792 C GLY A 53 2.669 -2.122 1.564 1.00 0.15 C ATOM 793 O GLY A 53 2.357 -1.517 2.594 1.00 23.42 O ATOM 0 H GLY A 53 2.078 -3.803 3.515 1.00 35.14 H new ATOM 0 HA2 GLY A 53 3.674 -3.928 1.025 1.00 50.24 H new ATOM 0 HA3 GLY A 53 1.925 -4.040 0.989 1.00 50.24 H new ATOM 797 N TYR A 54 2.941 -1.516 0.422 1.00 13.11 N ATOM 798 CA TYR A 54 2.847 -0.075 0.275 1.00 50.45 C ATOM 799 C TYR A 54 2.086 0.264 -0.994 1.00 13.11 C ATOM 800 O TYR A 54 2.137 -0.482 -1.970 1.00 41.11 O ATOM 801 CB TYR A 54 4.238 0.565 0.229 1.00 51.53 C ATOM 802 CG TYR A 54 4.958 0.568 1.557 1.00 62.55 C ATOM 803 CD1 TYR A 54 5.748 -0.508 1.948 1.00 3.12 C ATOM 804 CD2 TYR A 54 4.851 1.649 2.420 1.00 41.35 C ATOM 805 CE1 TYR A 54 6.409 -0.502 3.161 1.00 4.00 C ATOM 806 CE2 TYR A 54 5.510 1.663 3.633 1.00 0.11 C ATOM 807 CZ TYR A 54 6.290 0.585 3.999 1.00 52.44 C ATOM 808 OH TYR A 54 6.949 0.593 5.208 1.00 13.12 O ATOM 0 H TYR A 54 3.231 -2.005 -0.424 1.00 13.11 H new ATOM 0 HA TYR A 54 2.314 0.322 1.139 1.00 50.45 H new ATOM 0 HB2 TYR A 54 4.847 0.033 -0.502 1.00 51.53 H new ATOM 0 HB3 TYR A 54 4.142 1.592 -0.123 1.00 51.53 H new ATOM 0 HD1 TYR A 54 5.846 -1.361 1.293 1.00 3.12 H new ATOM 0 HD2 TYR A 54 4.241 2.495 2.138 1.00 41.35 H new ATOM 0 HE1 TYR A 54 7.017 -1.346 3.451 1.00 4.00 H new ATOM 0 HE2 TYR A 54 5.416 2.513 4.292 1.00 0.11 H new ATOM 0 HH TYR A 54 6.761 1.432 5.677 1.00 13.12 H new ATOM 818 N ILE A 55 1.370 1.374 -0.966 1.00 41.25 N ATOM 819 CA ILE A 55 0.641 1.853 -2.131 1.00 54.22 C ATOM 820 C ILE A 55 0.816 3.353 -2.275 1.00 21.14 C ATOM 821 O ILE A 55 1.304 4.011 -1.361 1.00 65.44 O ATOM 822 CB ILE A 55 -0.865 1.518 -2.052 1.00 14.14 C ATOM 823 CG1 ILE A 55 -1.459 2.000 -0.727 1.00 1.01 C ATOM 824 CG2 ILE A 55 -1.090 0.027 -2.224 1.00 53.54 C ATOM 825 CD1 ILE A 55 -2.673 2.884 -0.893 1.00 22.13 C ATOM 0 H ILE A 55 1.276 1.967 -0.141 1.00 41.25 H new ATOM 0 HA ILE A 55 1.054 1.343 -3.002 1.00 54.22 H new ATOM 0 HB ILE A 55 -1.372 2.039 -2.864 1.00 14.14 H new ATOM 0 HG12 ILE A 55 -1.731 1.134 -0.124 1.00 1.01 H new ATOM 0 HG13 ILE A 55 -0.695 2.546 -0.174 1.00 1.01 H new ATOM 0 HG21 ILE A 55 -2.157 -0.189 -2.165 1.00 53.54 H new ATOM 0 HG22 ILE A 55 -0.709 -0.289 -3.195 1.00 53.54 H new ATOM 0 HG23 ILE A 55 -0.566 -0.513 -1.435 1.00 53.54 H new ATOM 0 HD11 ILE A 55 -3.039 3.187 0.088 1.00 22.13 H new ATOM 0 HD12 ILE A 55 -2.403 3.769 -1.469 1.00 22.13 H new ATOM 0 HD13 ILE A 55 -3.454 2.334 -1.418 1.00 22.13 H new ATOM 837 N GLY A 56 0.416 3.892 -3.409 1.00 71.35 N ATOM 838 CA GLY A 56 0.598 5.306 -3.650 1.00 33.30 C ATOM 839 C GLY A 56 -0.665 6.090 -3.392 1.00 73.43 C ATOM 840 O GLY A 56 -1.760 5.540 -3.447 1.00 42.01 O ATOM 0 H GLY A 56 -0.032 3.379 -4.168 1.00 71.35 H new ATOM 0 HA2 GLY A 56 1.396 5.683 -3.010 1.00 33.30 H new ATOM 0 HA3 GLY A 56 0.916 5.460 -4.681 1.00 33.30 H new ATOM 844 N THR A 57 -0.515 7.365 -3.082 1.00 22.34 N ATOM 845 CA THR A 57 -1.661 8.237 -2.897 1.00 12.03 C ATOM 846 C THR A 57 -2.101 8.803 -4.248 1.00 5.03 C ATOM 847 O THR A 57 -3.249 9.215 -4.427 1.00 3.01 O ATOM 848 CB THR A 57 -1.333 9.385 -1.921 1.00 21.32 C ATOM 849 OG1 THR A 57 -0.789 8.847 -0.706 1.00 1.45 O ATOM 850 CG2 THR A 57 -2.572 10.206 -1.590 1.00 32.53 C ATOM 0 H THR A 57 0.389 7.820 -2.953 1.00 22.34 H new ATOM 0 HA THR A 57 -2.474 7.652 -2.467 1.00 12.03 H new ATOM 0 HB THR A 57 -0.605 10.037 -2.405 1.00 21.32 H new ATOM 0 HG1 THR A 57 -1.190 9.304 0.063 1.00 1.45 H new ATOM 0 HG21 THR A 57 -2.305 11.006 -0.900 1.00 32.53 H new ATOM 0 HG22 THR A 57 -2.978 10.637 -2.505 1.00 32.53 H new ATOM 0 HG23 THR A 57 -3.321 9.564 -1.128 1.00 32.53 H new ATOM 858 N ARG A 58 -1.175 8.800 -5.204 1.00 41.03 N ATOM 859 CA ARG A 58 -1.449 9.288 -6.539 1.00 3.13 C ATOM 860 C ARG A 58 -2.029 8.179 -7.401 1.00 42.12 C ATOM 861 O ARG A 58 -2.962 8.407 -8.171 1.00 5.42 O ATOM 862 CB ARG A 58 -0.176 9.835 -7.177 1.00 1.54 C ATOM 863 CG ARG A 58 0.287 11.147 -6.575 1.00 3.41 C ATOM 864 CD ARG A 58 1.563 11.640 -7.231 1.00 62.12 C ATOM 865 NE ARG A 58 1.943 12.965 -6.755 1.00 13.23 N ATOM 866 CZ ARG A 58 3.122 13.528 -6.993 1.00 61.45 C ATOM 867 NH1 ARG A 58 4.055 12.852 -7.652 1.00 24.43 N ATOM 868 NH2 ARG A 58 3.368 14.758 -6.561 1.00 35.44 N ATOM 0 H ARG A 58 -0.223 8.460 -5.070 1.00 41.03 H new ATOM 0 HA ARG A 58 -2.180 10.094 -6.467 1.00 3.13 H new ATOM 0 HB2 ARG A 58 0.619 9.096 -7.074 1.00 1.54 H new ATOM 0 HB3 ARG A 58 -0.345 9.974 -8.245 1.00 1.54 H new ATOM 0 HG2 ARG A 58 -0.495 11.897 -6.689 1.00 3.41 H new ATOM 0 HG3 ARG A 58 0.452 11.019 -5.505 1.00 3.41 H new ATOM 0 HD2 ARG A 58 2.370 10.936 -7.029 1.00 62.12 H new ATOM 0 HD3 ARG A 58 1.428 11.668 -8.312 1.00 62.12 H new ATOM 0 HE ARG A 58 1.263 13.491 -6.206 1.00 13.23 H new ATOM 0 HH11 ARG A 58 3.865 11.903 -7.974 1.00 24.43 H new ATOM 0 HH12 ARG A 58 4.962 13.282 -7.836 1.00 24.43 H new ATOM 0 HH21 ARG A 58 2.652 15.271 -6.046 1.00 35.44 H new ATOM 0 HH22 ARG A 58 4.273 15.191 -6.743 1.00 35.44 H new ATOM 882 N TYR A 59 -1.476 6.979 -7.286 1.00 71.53 N ATOM 883 CA TYR A 59 -2.021 5.850 -8.001 1.00 73.53 C ATOM 884 C TYR A 59 -2.971 5.109 -7.075 1.00 74.15 C ATOM 885 O TYR A 59 -2.543 4.507 -6.090 1.00 73.22 O ATOM 886 CB TYR A 59 -0.891 4.920 -8.438 1.00 5.24 C ATOM 887 CG TYR A 59 -0.026 5.471 -9.552 1.00 23.34 C ATOM 888 CD1 TYR A 59 0.800 6.567 -9.338 1.00 75.23 C ATOM 889 CD2 TYR A 59 -0.030 4.892 -10.814 1.00 22.34 C ATOM 890 CE1 TYR A 59 1.596 7.071 -10.349 1.00 3.15 C ATOM 891 CE2 TYR A 59 0.763 5.389 -11.829 1.00 11.23 C ATOM 892 CZ TYR A 59 1.574 6.477 -11.593 1.00 64.24 C ATOM 893 OH TYR A 59 2.362 6.972 -12.607 1.00 21.05 O ATOM 0 H TYR A 59 -0.660 6.771 -6.710 1.00 71.53 H new ATOM 0 HA TYR A 59 -2.555 6.191 -8.888 1.00 73.53 H new ATOM 0 HB2 TYR A 59 -0.259 4.705 -7.576 1.00 5.24 H new ATOM 0 HB3 TYR A 59 -1.321 3.972 -8.763 1.00 5.24 H new ATOM 0 HD1 TYR A 59 0.821 7.034 -8.364 1.00 75.23 H new ATOM 0 HD2 TYR A 59 -0.664 4.039 -11.005 1.00 22.34 H new ATOM 0 HE1 TYR A 59 2.231 7.925 -10.166 1.00 3.15 H new ATOM 0 HE2 TYR A 59 0.747 4.926 -12.805 1.00 11.23 H new ATOM 0 HH TYR A 59 2.227 6.437 -13.417 1.00 21.05 H new ATOM 903 N LEU A 60 -4.247 5.138 -7.407 1.00 72.22 N ATOM 904 CA LEU A 60 -5.278 4.551 -6.565 1.00 13.32 C ATOM 905 C LEU A 60 -6.522 4.255 -7.373 1.00 72.14 C ATOM 906 O LEU A 60 -6.609 4.609 -8.546 1.00 45.13 O ATOM 907 CB LEU A 60 -5.645 5.495 -5.413 1.00 42.11 C ATOM 908 CG LEU A 60 -4.750 5.413 -4.178 1.00 64.35 C ATOM 909 CD1 LEU A 60 -5.169 6.451 -3.151 1.00 21.43 C ATOM 910 CD2 LEU A 60 -4.814 4.019 -3.569 1.00 52.23 C ATOM 0 H LEU A 60 -4.600 5.566 -8.263 1.00 72.22 H new ATOM 0 HA LEU A 60 -4.880 3.622 -6.157 1.00 13.32 H new ATOM 0 HB2 LEU A 60 -5.625 6.519 -5.786 1.00 42.11 H new ATOM 0 HB3 LEU A 60 -6.671 5.287 -5.110 1.00 42.11 H new ATOM 0 HG LEU A 60 -3.723 5.616 -4.482 1.00 64.35 H new ATOM 0 HD11 LEU A 60 -4.522 6.380 -2.277 1.00 21.43 H new ATOM 0 HD12 LEU A 60 -5.084 7.447 -3.585 1.00 21.43 H new ATOM 0 HD13 LEU A 60 -6.202 6.272 -2.853 1.00 21.43 H new ATOM 0 HD21 LEU A 60 -4.171 3.976 -2.690 1.00 52.23 H new ATOM 0 HD22 LEU A 60 -5.841 3.795 -3.279 1.00 52.23 H new ATOM 0 HD23 LEU A 60 -4.476 3.286 -4.302 1.00 52.23 H new ATOM 922 N SER A 61 -7.478 3.609 -6.734 1.00 12.41 N ATOM 923 CA SER A 61 -8.799 3.464 -7.299 1.00 5.52 C ATOM 924 C SER A 61 -9.805 4.086 -6.339 1.00 65.33 C ATOM 925 O SER A 61 -9.951 3.634 -5.201 1.00 62.24 O ATOM 926 CB SER A 61 -9.118 1.983 -7.532 1.00 15.22 C ATOM 927 OG SER A 61 -10.338 1.820 -8.235 1.00 34.34 O ATOM 0 H SER A 61 -7.360 3.175 -5.818 1.00 12.41 H new ATOM 0 HA SER A 61 -8.850 3.971 -8.263 1.00 5.52 H new ATOM 0 HB2 SER A 61 -8.308 1.519 -8.094 1.00 15.22 H new ATOM 0 HB3 SER A 61 -9.177 1.467 -6.574 1.00 15.22 H new ATOM 0 HG SER A 61 -10.963 1.299 -7.689 1.00 34.34 H new ATOM 933 N LYS A 62 -10.488 5.112 -6.804 1.00 14.32 N ATOM 934 CA LYS A 62 -11.489 5.800 -6.012 1.00 21.42 C ATOM 935 C LYS A 62 -12.849 5.562 -6.671 1.00 71.41 C ATOM 936 O LYS A 62 -13.033 4.553 -7.360 1.00 24.42 O ATOM 937 CB LYS A 62 -11.140 7.299 -5.951 1.00 12.02 C ATOM 938 CG LYS A 62 -11.859 8.096 -4.868 1.00 43.32 C ATOM 939 CD LYS A 62 -11.219 7.911 -3.504 1.00 55.41 C ATOM 940 CE LYS A 62 -11.851 8.843 -2.480 1.00 64.31 C ATOM 941 NZ LYS A 62 -11.179 8.781 -1.155 1.00 43.54 N ATOM 0 H LYS A 62 -10.365 5.493 -7.742 1.00 14.32 H new ATOM 0 HA LYS A 62 -11.520 5.425 -4.989 1.00 21.42 H new ATOM 0 HB2 LYS A 62 -10.065 7.398 -5.798 1.00 12.02 H new ATOM 0 HB3 LYS A 62 -11.367 7.747 -6.919 1.00 12.02 H new ATOM 0 HG2 LYS A 62 -11.851 9.154 -5.131 1.00 43.32 H new ATOM 0 HG3 LYS A 62 -12.903 7.786 -4.823 1.00 43.32 H new ATOM 0 HD2 LYS A 62 -11.334 6.876 -3.181 1.00 55.41 H new ATOM 0 HD3 LYS A 62 -10.149 8.107 -3.570 1.00 55.41 H new ATOM 0 HE2 LYS A 62 -11.813 9.866 -2.854 1.00 64.31 H new ATOM 0 HE3 LYS A 62 -12.903 8.585 -2.361 1.00 64.31 H new ATOM 0 HZ1 LYS A 62 -11.649 9.434 -0.496 1.00 43.54 H new ATOM 0 HZ2 LYS A 62 -11.237 7.812 -0.782 1.00 43.54 H new ATOM 0 HZ3 LYS A 62 -10.181 9.053 -1.259 1.00 43.54 H new