USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 808 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 29 TYR OH : rot 30:sc= 0.855 USER MOD Set 1.2: A 97 THR OG1 : rot -109:sc= 0.834 USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0218) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.663 K(o=0.66,f=-6.6!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 91:sc= 0.0527 USER MOD Single : A 53 SER OG : rot 180:sc= 0.687 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 110:sc= -0.137 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 94:sc= 0.287 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0497 USER MOD Single : A 74 ASN : amide:sc= -0.145 K(o=-0.15,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ -129:sc= -0.46 (180deg=-1.68!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.4!) USER MOD Single : A 81 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 83 CYS SG : rot 83:sc= -0.0702 USER MOD Single : A 87 CYS SG : rot 95:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0.392 K(o=0.39,f=-3.3!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.1) USER MOD Single : A 107 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -3.682 3.136 4.141 1.00 60.22 N ATOM 178 CA ALA A 13 -2.710 2.253 4.772 1.00 71.00 C ATOM 179 C ALA A 13 -3.402 1.118 5.519 1.00 33.21 C ATOM 180 O ALA A 13 -2.880 0.006 5.600 1.00 31.00 O ATOM 181 CB ALA A 13 -1.817 3.042 5.719 1.00 52.01 C ATOM 0 HA ALA A 13 -2.093 1.814 3.988 1.00 71.00 H new ATOM 0 HB1 ALA A 13 -1.096 2.370 6.184 1.00 52.01 H new ATOM 0 HB2 ALA A 13 -1.287 3.814 5.161 1.00 52.01 H new ATOM 0 HB3 ALA A 13 -2.428 3.508 6.492 1.00 52.01 H new ATOM 187 N ASP A 14 -4.580 1.405 6.063 1.00 31.24 N ATOM 188 CA ASP A 14 -5.344 0.407 6.802 1.00 51.21 C ATOM 189 C ASP A 14 -5.614 -0.821 5.937 1.00 74.15 C ATOM 190 O ASP A 14 -5.241 -1.938 6.297 1.00 43.41 O ATOM 191 CB ASP A 14 -6.666 1.003 7.288 1.00 42.32 C ATOM 192 CG ASP A 14 -6.750 1.068 8.800 1.00 51.14 C ATOM 193 OD1 ASP A 14 -5.701 1.276 9.444 1.00 31.53 O ATOM 194 OD2 ASP A 14 -7.866 0.912 9.339 1.00 52.02 O ATOM 0 H ASP A 14 -5.026 2.320 6.006 1.00 31.24 H new ATOM 0 HA ASP A 14 -4.753 0.099 7.665 1.00 51.21 H new ATOM 0 HB2 ASP A 14 -6.782 2.006 6.877 1.00 42.32 H new ATOM 0 HB3 ASP A 14 -7.493 0.405 6.906 1.00 42.32 H new ATOM 199 N GLU A 15 -6.263 -0.606 4.798 1.00 22.40 N ATOM 200 CA GLU A 15 -6.583 -1.697 3.884 1.00 41.52 C ATOM 201 C GLU A 15 -5.316 -2.410 3.423 1.00 73.41 C ATOM 202 O GLU A 15 -5.261 -3.640 3.383 1.00 21.10 O ATOM 203 CB GLU A 15 -7.353 -1.167 2.673 1.00 12.44 C ATOM 204 CG GLU A 15 -8.853 -1.395 2.757 1.00 53.10 C ATOM 205 CD GLU A 15 -9.613 -0.139 3.135 1.00 45.10 C ATOM 206 OE1 GLU A 15 -9.212 0.525 4.113 1.00 54.33 O ATOM 207 OE2 GLU A 15 -10.611 0.178 2.455 1.00 14.44 O ATOM 0 H GLU A 15 -6.578 0.313 4.486 1.00 22.40 H new ATOM 0 HA GLU A 15 -7.208 -2.413 4.418 1.00 41.52 H new ATOM 0 HB2 GLU A 15 -7.162 -0.099 2.571 1.00 12.44 H new ATOM 0 HB3 GLU A 15 -6.971 -1.647 1.772 1.00 12.44 H new ATOM 0 HG2 GLU A 15 -9.216 -1.759 1.796 1.00 53.10 H new ATOM 0 HG3 GLU A 15 -9.058 -2.174 3.491 1.00 53.10 H new ATOM 214 N LEU A 16 -4.298 -1.630 3.077 1.00 3.33 N ATOM 215 CA LEU A 16 -3.030 -2.186 2.617 1.00 72.43 C ATOM 216 C LEU A 16 -2.402 -3.070 3.690 1.00 21.03 C ATOM 217 O LEU A 16 -1.813 -4.107 3.387 1.00 34.02 O ATOM 218 CB LEU A 16 -2.065 -1.061 2.238 1.00 73.21 C ATOM 219 CG LEU A 16 -0.768 -1.492 1.551 1.00 25.21 C ATOM 220 CD1 LEU A 16 0.235 -2.000 2.575 1.00 72.15 C ATOM 221 CD2 LEU A 16 -1.049 -2.559 0.503 1.00 73.53 C ATOM 0 H LEU A 16 -4.326 -0.611 3.106 1.00 3.33 H new ATOM 0 HA LEU A 16 -3.228 -2.799 1.737 1.00 72.43 H new ATOM 0 HB2 LEU A 16 -2.588 -0.367 1.580 1.00 73.21 H new ATOM 0 HB3 LEU A 16 -1.808 -0.510 3.143 1.00 73.21 H new ATOM 0 HG LEU A 16 -0.338 -0.624 1.051 1.00 25.21 H new ATOM 0 HD11 LEU A 16 1.151 -2.302 2.068 1.00 72.15 H new ATOM 0 HD12 LEU A 16 0.460 -1.207 3.289 1.00 72.15 H new ATOM 0 HD13 LEU A 16 -0.186 -2.855 3.103 1.00 72.15 H new ATOM 0 HD21 LEU A 16 -0.115 -2.854 0.024 1.00 73.53 H new ATOM 0 HD22 LEU A 16 -1.502 -3.428 0.981 1.00 73.53 H new ATOM 0 HD23 LEU A 16 -1.732 -2.161 -0.248 1.00 73.53 H new ATOM 233 N GLU A 17 -2.536 -2.653 4.945 1.00 70.55 N ATOM 234 CA GLU A 17 -1.983 -3.409 6.064 1.00 22.14 C ATOM 235 C GLU A 17 -2.838 -4.637 6.365 1.00 72.35 C ATOM 236 O GLU A 17 -2.482 -5.461 7.209 1.00 44.33 O ATOM 237 CB GLU A 17 -1.884 -2.524 7.307 1.00 65.22 C ATOM 238 CG GLU A 17 -0.814 -2.970 8.289 1.00 35.44 C ATOM 239 CD GLU A 17 -1.165 -2.639 9.726 1.00 30.32 C ATOM 240 OE1 GLU A 17 -1.789 -1.581 9.955 1.00 34.52 O ATOM 241 OE2 GLU A 17 -0.817 -3.437 10.621 1.00 43.10 O ATOM 0 H GLU A 17 -3.022 -1.797 5.213 1.00 70.55 H new ATOM 0 HA GLU A 17 -0.983 -3.743 5.786 1.00 22.14 H new ATOM 0 HB2 GLU A 17 -1.677 -1.500 6.998 1.00 65.22 H new ATOM 0 HB3 GLU A 17 -2.849 -2.515 7.814 1.00 65.22 H new ATOM 0 HG2 GLU A 17 -0.665 -4.046 8.194 1.00 35.44 H new ATOM 0 HG3 GLU A 17 0.132 -2.493 8.031 1.00 35.44 H new ATOM 248 N ARG A 18 -3.965 -4.751 5.672 1.00 45.32 N ATOM 249 CA ARG A 18 -4.872 -5.876 5.867 1.00 51.13 C ATOM 250 C ARG A 18 -4.564 -6.999 4.881 1.00 44.04 C ATOM 251 O ARG A 18 -4.585 -8.176 5.242 1.00 22.34 O ATOM 252 CB ARG A 18 -6.324 -5.423 5.704 1.00 55.42 C ATOM 253 CG ARG A 18 -7.311 -6.234 6.526 1.00 23.31 C ATOM 254 CD ARG A 18 -8.739 -6.030 6.044 1.00 13.52 C ATOM 255 NE ARG A 18 -9.026 -6.804 4.840 1.00 13.22 N ATOM 256 CZ ARG A 18 -10.027 -6.528 4.010 1.00 33.50 C ATOM 257 NH1 ARG A 18 -10.831 -5.503 4.253 1.00 15.30 N ATOM 258 NH2 ARG A 18 -10.224 -7.280 2.934 1.00 71.20 N ATOM 0 H ARG A 18 -4.273 -4.078 4.970 1.00 45.32 H new ATOM 0 HA ARG A 18 -4.729 -6.255 6.879 1.00 51.13 H new ATOM 0 HB2 ARG A 18 -6.403 -4.374 5.989 1.00 55.42 H new ATOM 0 HB3 ARG A 18 -6.600 -5.489 4.652 1.00 55.42 H new ATOM 0 HG2 ARG A 18 -7.053 -7.291 6.466 1.00 23.31 H new ATOM 0 HG3 ARG A 18 -7.235 -5.946 7.575 1.00 23.31 H new ATOM 0 HD2 ARG A 18 -9.433 -6.318 6.834 1.00 13.52 H new ATOM 0 HD3 ARG A 18 -8.906 -4.972 5.843 1.00 13.52 H new ATOM 0 HE ARG A 18 -8.426 -7.600 4.624 1.00 13.22 H new ATOM 0 HH11 ARG A 18 -10.683 -4.923 5.079 1.00 15.30 H new ATOM 0 HH12 ARG A 18 -11.598 -5.294 3.614 1.00 15.30 H new ATOM 0 HH21 ARG A 18 -9.607 -8.070 2.744 1.00 71.20 H new ATOM 0 HH22 ARG A 18 -10.992 -7.068 2.297 1.00 71.20 H new ATOM 272 N ILE A 19 -4.281 -6.627 3.638 1.00 12.44 N ATOM 273 CA ILE A 19 -3.970 -7.603 2.601 1.00 35.11 C ATOM 274 C ILE A 19 -2.856 -8.544 3.049 1.00 15.54 C ATOM 275 O ILE A 19 -1.893 -8.121 3.690 1.00 51.32 O ATOM 276 CB ILE A 19 -3.549 -6.915 1.289 1.00 43.41 C ATOM 277 CG1 ILE A 19 -4.667 -5.999 0.787 1.00 2.42 C ATOM 278 CG2 ILE A 19 -3.196 -7.955 0.235 1.00 53.31 C ATOM 279 CD1 ILE A 19 -4.165 -4.802 0.011 1.00 33.13 C ATOM 0 H ILE A 19 -4.261 -5.657 3.324 1.00 12.44 H new ATOM 0 HA ILE A 19 -4.879 -8.178 2.425 1.00 35.11 H new ATOM 0 HB ILE A 19 -2.665 -6.307 1.482 1.00 43.41 H new ATOM 0 HG12 ILE A 19 -5.341 -6.576 0.154 1.00 2.42 H new ATOM 0 HG13 ILE A 19 -5.250 -5.651 1.639 1.00 2.42 H new ATOM 0 HG21 ILE A 19 -2.901 -7.453 -0.686 1.00 53.31 H new ATOM 0 HG22 ILE A 19 -2.371 -8.571 0.593 1.00 53.31 H new ATOM 0 HG23 ILE A 19 -4.063 -8.587 0.042 1.00 53.31 H new ATOM 0 HD11 ILE A 19 -5.012 -4.198 -0.314 1.00 33.13 H new ATOM 0 HD12 ILE A 19 -3.514 -4.203 0.648 1.00 33.13 H new ATOM 0 HD13 ILE A 19 -3.606 -5.142 -0.861 1.00 33.13 H new ATOM 291 N ARG A 20 -2.991 -9.819 2.703 1.00 64.51 N ATOM 292 CA ARG A 20 -1.996 -10.820 3.069 1.00 51.32 C ATOM 293 C ARG A 20 -1.164 -11.227 1.856 1.00 72.32 C ATOM 294 O ARG A 20 -1.644 -11.198 0.722 1.00 2.41 O ATOM 295 CB ARG A 20 -2.676 -12.051 3.671 1.00 2.44 C ATOM 296 CG ARG A 20 -3.557 -11.735 4.868 1.00 73.43 C ATOM 297 CD ARG A 20 -4.651 -12.777 5.044 1.00 70.14 C ATOM 298 NE ARG A 20 -5.203 -12.766 6.397 1.00 20.50 N ATOM 299 CZ ARG A 20 -6.117 -11.896 6.812 1.00 20.50 C ATOM 300 NH1 ARG A 20 -6.579 -10.970 5.983 1.00 14.20 N ATOM 301 NH2 ARG A 20 -6.570 -11.952 8.057 1.00 54.15 N ATOM 0 H ARG A 20 -3.780 -10.184 2.169 1.00 64.51 H new ATOM 0 HA ARG A 20 -1.332 -10.381 3.813 1.00 51.32 H new ATOM 0 HB2 ARG A 20 -3.280 -12.534 2.903 1.00 2.44 H new ATOM 0 HB3 ARG A 20 -1.911 -12.767 3.972 1.00 2.44 H new ATOM 0 HG2 ARG A 20 -2.946 -11.691 5.770 1.00 73.43 H new ATOM 0 HG3 ARG A 20 -4.007 -10.751 4.740 1.00 73.43 H new ATOM 0 HD2 ARG A 20 -5.449 -12.590 4.325 1.00 70.14 H new ATOM 0 HD3 ARG A 20 -4.249 -13.766 4.824 1.00 70.14 H new ATOM 0 HE ARG A 20 -4.868 -13.465 7.060 1.00 20.50 H new ATOM 0 HH11 ARG A 20 -6.233 -10.925 5.025 1.00 14.20 H new ATOM 0 HH12 ARG A 20 -7.281 -10.303 6.304 1.00 14.20 H new ATOM 0 HH21 ARG A 20 -6.217 -12.663 8.697 1.00 54.15 H new ATOM 0 HH22 ARG A 20 -7.272 -11.284 8.375 1.00 54.15 H new ATOM 315 N LEU A 21 0.085 -11.607 2.103 1.00 22.10 N ATOM 316 CA LEU A 21 0.985 -12.020 1.031 1.00 41.22 C ATOM 317 C LEU A 21 0.498 -13.309 0.377 1.00 40.24 C ATOM 318 O LEU A 21 0.877 -13.627 -0.749 1.00 3.12 O ATOM 319 CB LEU A 21 2.401 -12.214 1.575 1.00 32.12 C ATOM 320 CG LEU A 21 3.092 -10.959 2.111 1.00 74.41 C ATOM 321 CD1 LEU A 21 4.368 -11.328 2.853 1.00 64.12 C ATOM 322 CD2 LEU A 21 3.395 -9.991 0.976 1.00 71.41 C ATOM 0 H LEU A 21 0.497 -11.638 3.035 1.00 22.10 H new ATOM 0 HA LEU A 21 0.996 -11.234 0.276 1.00 41.22 H new ATOM 0 HB2 LEU A 21 2.363 -12.953 2.375 1.00 32.12 H new ATOM 0 HB3 LEU A 21 3.019 -12.634 0.782 1.00 32.12 H new ATOM 0 HG LEU A 21 2.417 -10.467 2.812 1.00 74.41 H new ATOM 0 HD11 LEU A 21 4.846 -10.423 3.227 1.00 64.12 H new ATOM 0 HD12 LEU A 21 4.126 -11.983 3.690 1.00 64.12 H new ATOM 0 HD13 LEU A 21 5.048 -11.843 2.174 1.00 64.12 H new ATOM 0 HD21 LEU A 21 3.886 -9.104 1.376 1.00 71.41 H new ATOM 0 HD22 LEU A 21 4.051 -10.474 0.251 1.00 71.41 H new ATOM 0 HD23 LEU A 21 2.465 -9.701 0.487 1.00 71.41 H new ATOM 334 N ARG A 22 -0.347 -14.046 1.091 1.00 62.33 N ATOM 335 CA ARG A 22 -0.887 -15.300 0.581 1.00 4.55 C ATOM 336 C ARG A 22 -2.321 -15.509 1.058 1.00 23.23 C ATOM 337 O ARG A 22 -2.772 -14.902 2.030 1.00 5.13 O ATOM 338 CB ARG A 22 -0.013 -16.474 1.025 1.00 25.44 C ATOM 339 CG ARG A 22 1.132 -16.776 0.074 1.00 31.44 C ATOM 340 CD ARG A 22 2.419 -17.073 0.827 1.00 63.24 C ATOM 341 NE ARG A 22 3.340 -17.888 0.039 1.00 61.12 N ATOM 342 CZ ARG A 22 3.138 -19.172 -0.231 1.00 22.34 C ATOM 343 NH1 ARG A 22 2.052 -19.786 0.221 1.00 10.51 N ATOM 344 NH2 ARG A 22 4.021 -19.846 -0.956 1.00 75.34 N ATOM 0 H ARG A 22 -0.672 -13.796 2.025 1.00 62.33 H new ATOM 0 HA ARG A 22 -0.889 -15.250 -0.508 1.00 4.55 H new ATOM 0 HB2 ARG A 22 0.394 -16.259 2.013 1.00 25.44 H new ATOM 0 HB3 ARG A 22 -0.636 -17.363 1.123 1.00 25.44 H new ATOM 0 HG2 ARG A 22 0.871 -17.629 -0.552 1.00 31.44 H new ATOM 0 HG3 ARG A 22 1.287 -15.927 -0.592 1.00 31.44 H new ATOM 0 HD2 ARG A 22 2.905 -16.136 1.097 1.00 63.24 H new ATOM 0 HD3 ARG A 22 2.183 -17.590 1.757 1.00 63.24 H new ATOM 0 HE ARG A 22 4.185 -17.446 -0.324 1.00 61.12 H new ATOM 0 HH11 ARG A 22 1.370 -19.271 0.778 1.00 10.51 H new ATOM 0 HH12 ARG A 22 1.900 -20.773 0.012 1.00 10.51 H new ATOM 0 HH21 ARG A 22 4.857 -19.378 -1.307 1.00 75.34 H new ATOM 0 HH22 ARG A 22 3.864 -20.833 -1.163 1.00 75.34 H new ATOM 358 N PRO A 23 -3.056 -16.387 0.360 1.00 41.31 N ATOM 359 CA PRO A 23 -4.450 -16.696 0.694 1.00 34.31 C ATOM 360 C PRO A 23 -4.573 -17.479 1.996 1.00 22.32 C ATOM 361 O PRO A 23 -5.546 -17.327 2.733 1.00 63.33 O ATOM 362 CB PRO A 23 -4.917 -17.548 -0.490 1.00 62.35 C ATOM 363 CG PRO A 23 -3.671 -18.159 -1.032 1.00 61.45 C ATOM 364 CD PRO A 23 -2.582 -17.146 -0.810 1.00 62.14 C ATOM 0 HA PRO A 23 -5.043 -15.794 0.848 1.00 34.31 H new ATOM 0 HB2 PRO A 23 -5.627 -18.312 -0.172 1.00 62.35 H new ATOM 0 HB3 PRO A 23 -5.419 -16.939 -1.242 1.00 62.35 H new ATOM 0 HG2 PRO A 23 -3.442 -19.095 -0.523 1.00 61.45 H new ATOM 0 HG3 PRO A 23 -3.779 -18.390 -2.092 1.00 61.45 H new ATOM 0 HD2 PRO A 23 -1.622 -17.624 -0.617 1.00 62.14 H new ATOM 0 HD3 PRO A 23 -2.448 -16.502 -1.679 1.00 62.14 H new ATOM 372 N GLY A 24 -3.579 -18.319 2.273 1.00 63.34 N ATOM 373 CA GLY A 24 -3.597 -19.114 3.488 1.00 3.33 C ATOM 374 C GLY A 24 -2.497 -18.720 4.453 1.00 72.13 C ATOM 375 O GLY A 24 -2.305 -19.367 5.482 1.00 53.45 O ATOM 0 H GLY A 24 -2.763 -18.463 1.678 1.00 63.34 H new ATOM 0 HA2 GLY A 24 -4.564 -19.001 3.978 1.00 3.33 H new ATOM 0 HA3 GLY A 24 -3.491 -20.168 3.231 1.00 3.33 H new ATOM 379 N GLY A 25 -1.771 -17.657 4.121 1.00 10.11 N ATOM 380 CA GLY A 25 -0.693 -17.197 4.976 1.00 70.52 C ATOM 381 C GLY A 25 -1.158 -16.188 6.006 1.00 64.32 C ATOM 382 O GLY A 25 -2.337 -15.833 6.050 1.00 71.23 O ATOM 0 H GLY A 25 -1.911 -17.106 3.274 1.00 10.11 H new ATOM 0 HA2 GLY A 25 -0.248 -18.052 5.485 1.00 70.52 H new ATOM 0 HA3 GLY A 25 0.088 -16.750 4.361 1.00 70.52 H new ATOM 386 N LYS A 26 -0.234 -15.725 6.839 1.00 74.14 N ATOM 387 CA LYS A 26 -0.554 -14.750 7.876 1.00 4.25 C ATOM 388 C LYS A 26 0.197 -13.444 7.645 1.00 10.42 C ATOM 389 O LYS A 26 -0.141 -12.410 8.222 1.00 22.44 O ATOM 390 CB LYS A 26 -0.211 -15.311 9.257 1.00 20.15 C ATOM 391 CG LYS A 26 -0.835 -14.533 10.402 1.00 63.23 C ATOM 392 CD LYS A 26 -0.593 -15.217 11.737 1.00 45.33 C ATOM 393 CE LYS A 26 -1.684 -14.876 12.743 1.00 21.32 C ATOM 394 NZ LYS A 26 -1.729 -13.418 13.040 1.00 23.13 N ATOM 0 H LYS A 26 0.745 -16.009 6.817 1.00 74.14 H new ATOM 0 HA LYS A 26 -1.624 -14.546 7.830 1.00 4.25 H new ATOM 0 HB2 LYS A 26 -0.542 -16.348 9.311 1.00 20.15 H new ATOM 0 HB3 LYS A 26 0.872 -15.315 9.379 1.00 20.15 H new ATOM 0 HG2 LYS A 26 -0.420 -13.526 10.428 1.00 63.23 H new ATOM 0 HG3 LYS A 26 -1.907 -14.432 10.233 1.00 63.23 H new ATOM 0 HD2 LYS A 26 -0.554 -16.297 11.592 1.00 45.33 H new ATOM 0 HD3 LYS A 26 0.376 -14.913 12.133 1.00 45.33 H new ATOM 0 HE2 LYS A 26 -2.650 -15.197 12.354 1.00 21.32 H new ATOM 0 HE3 LYS A 26 -1.512 -15.429 13.666 1.00 21.32 H new ATOM 0 HZ1 LYS A 26 -2.414 -13.240 13.802 1.00 23.13 H new ATOM 0 HZ2 LYS A 26 -0.787 -13.095 13.339 1.00 23.13 H new ATOM 0 HZ3 LYS A 26 -2.018 -12.899 12.187 1.00 23.13 H new ATOM 408 N LYS A 27 1.218 -13.495 6.795 1.00 42.01 N ATOM 409 CA LYS A 27 2.017 -12.315 6.486 1.00 25.14 C ATOM 410 C LYS A 27 1.162 -11.238 5.825 1.00 20.23 C ATOM 411 O LYS A 27 0.501 -11.487 4.816 1.00 72.53 O ATOM 412 CB LYS A 27 3.183 -12.690 5.568 1.00 61.42 C ATOM 413 CG LYS A 27 4.140 -13.698 6.182 1.00 23.43 C ATOM 414 CD LYS A 27 5.058 -14.305 5.134 1.00 4.14 C ATOM 415 CE LYS A 27 6.322 -14.871 5.761 1.00 52.30 C ATOM 416 NZ LYS A 27 6.951 -15.911 4.901 1.00 72.53 N ATOM 0 H LYS A 27 1.511 -14.342 6.308 1.00 42.01 H new ATOM 0 HA LYS A 27 2.412 -11.918 7.421 1.00 25.14 H new ATOM 0 HB2 LYS A 27 2.786 -13.098 4.638 1.00 61.42 H new ATOM 0 HB3 LYS A 27 3.736 -11.787 5.309 1.00 61.42 H new ATOM 0 HG2 LYS A 27 4.738 -13.211 6.953 1.00 23.43 H new ATOM 0 HG3 LYS A 27 3.572 -14.489 6.672 1.00 23.43 H new ATOM 0 HD2 LYS A 27 4.530 -15.095 4.600 1.00 4.14 H new ATOM 0 HD3 LYS A 27 5.324 -13.546 4.398 1.00 4.14 H new ATOM 0 HE2 LYS A 27 7.034 -14.064 5.934 1.00 52.30 H new ATOM 0 HE3 LYS A 27 6.084 -15.300 6.734 1.00 52.30 H new ATOM 0 HZ1 LYS A 27 7.810 -16.272 5.364 1.00 72.53 H new ATOM 0 HZ2 LYS A 27 6.281 -16.693 4.756 1.00 72.53 H new ATOM 0 HZ3 LYS A 27 7.202 -15.496 3.981 1.00 72.53 H new ATOM 430 N LYS A 28 1.181 -10.040 6.398 1.00 61.23 N ATOM 431 CA LYS A 28 0.411 -8.924 5.864 1.00 4.43 C ATOM 432 C LYS A 28 1.332 -7.860 5.272 1.00 64.45 C ATOM 433 O LYS A 28 2.421 -7.612 5.790 1.00 5.23 O ATOM 434 CB LYS A 28 -0.459 -8.306 6.961 1.00 3.21 C ATOM 435 CG LYS A 28 -1.202 -9.333 7.798 1.00 73.43 C ATOM 436 CD LYS A 28 -1.982 -8.676 8.924 1.00 4.43 C ATOM 437 CE LYS A 28 -1.059 -7.968 9.903 1.00 74.31 C ATOM 438 NZ LYS A 28 -1.342 -8.356 11.312 1.00 62.35 N ATOM 0 H LYS A 28 1.722 -9.817 7.233 1.00 61.23 H new ATOM 0 HA LYS A 28 -0.231 -9.306 5.071 1.00 4.43 H new ATOM 0 HB2 LYS A 28 0.170 -7.703 7.615 1.00 3.21 H new ATOM 0 HB3 LYS A 28 -1.182 -7.631 6.503 1.00 3.21 H new ATOM 0 HG2 LYS A 28 -1.885 -9.897 7.162 1.00 73.43 H new ATOM 0 HG3 LYS A 28 -0.491 -10.047 8.215 1.00 73.43 H new ATOM 0 HD2 LYS A 28 -2.690 -7.960 8.508 1.00 4.43 H new ATOM 0 HD3 LYS A 28 -2.565 -9.430 9.453 1.00 4.43 H new ATOM 0 HE2 LYS A 28 -0.023 -8.206 9.662 1.00 74.31 H new ATOM 0 HE3 LYS A 28 -1.172 -6.889 9.794 1.00 74.31 H new ATOM 0 HZ1 LYS A 28 -0.692 -7.852 11.948 1.00 62.35 H new ATOM 0 HZ2 LYS A 28 -2.323 -8.106 11.551 1.00 62.35 H new ATOM 0 HZ3 LYS A 28 -1.209 -9.381 11.423 1.00 62.35 H new ATOM 452 N TYR A 29 0.887 -7.236 4.187 1.00 72.00 N ATOM 453 CA TYR A 29 1.671 -6.201 3.526 1.00 33.43 C ATOM 454 C TYR A 29 1.938 -5.033 4.469 1.00 40.44 C ATOM 455 O TYR A 29 1.050 -4.596 5.202 1.00 20.24 O ATOM 456 CB TYR A 29 0.947 -5.705 2.274 1.00 12.51 C ATOM 457 CG TYR A 29 1.204 -6.553 1.049 1.00 12.14 C ATOM 458 CD1 TYR A 29 2.459 -6.583 0.451 1.00 64.14 C ATOM 459 CD2 TYR A 29 0.193 -7.323 0.487 1.00 41.23 C ATOM 460 CE1 TYR A 29 2.698 -7.355 -0.668 1.00 33.43 C ATOM 461 CE2 TYR A 29 0.425 -8.100 -0.631 1.00 4.53 C ATOM 462 CZ TYR A 29 1.679 -8.112 -1.205 1.00 23.04 C ATOM 463 OH TYR A 29 1.912 -8.884 -2.321 1.00 74.23 O ATOM 0 H TYR A 29 -0.013 -7.429 3.747 1.00 72.00 H new ATOM 0 HA TYR A 29 2.628 -6.636 3.236 1.00 33.43 H new ATOM 0 HB2 TYR A 29 -0.125 -5.681 2.470 1.00 12.51 H new ATOM 0 HB3 TYR A 29 1.257 -4.680 2.068 1.00 12.51 H new ATOM 0 HD1 TYR A 29 3.260 -5.992 0.869 1.00 64.14 H new ATOM 0 HD2 TYR A 29 -0.791 -7.314 0.932 1.00 41.23 H new ATOM 0 HE1 TYR A 29 3.679 -7.366 -1.121 1.00 33.43 H new ATOM 0 HE2 TYR A 29 -0.371 -8.695 -1.053 1.00 4.53 H new ATOM 0 HH TYR A 29 2.849 -9.172 -2.330 1.00 74.23 H new ATOM 473 N ARG A 30 3.168 -4.531 4.446 1.00 75.05 N ATOM 474 CA ARG A 30 3.554 -3.413 5.300 1.00 13.34 C ATOM 475 C ARG A 30 4.535 -2.492 4.580 1.00 1.20 C ATOM 476 O ARG A 30 5.119 -2.865 3.561 1.00 51.34 O ATOM 477 CB ARG A 30 4.180 -3.928 6.598 1.00 14.40 C ATOM 478 CG ARG A 30 3.264 -3.808 7.805 1.00 1.14 C ATOM 479 CD ARG A 30 4.057 -3.671 9.094 1.00 40.24 C ATOM 480 NE ARG A 30 3.294 -4.119 10.257 1.00 12.54 N ATOM 481 CZ ARG A 30 3.597 -3.787 11.507 1.00 43.34 C ATOM 482 NH1 ARG A 30 4.641 -3.008 11.756 1.00 12.25 N ATOM 483 NH2 ARG A 30 2.853 -4.233 12.511 1.00 72.11 N ATOM 0 H ARG A 30 3.915 -4.880 3.845 1.00 75.05 H new ATOM 0 HA ARG A 30 2.656 -2.843 5.538 1.00 13.34 H new ATOM 0 HB2 ARG A 30 4.459 -4.973 6.467 1.00 14.40 H new ATOM 0 HB3 ARG A 30 5.099 -3.375 6.793 1.00 14.40 H new ATOM 0 HG2 ARG A 30 2.612 -2.943 7.684 1.00 1.14 H new ATOM 0 HG3 ARG A 30 2.621 -4.686 7.864 1.00 1.14 H new ATOM 0 HD2 ARG A 30 4.976 -4.252 9.018 1.00 40.24 H new ATOM 0 HD3 ARG A 30 4.349 -2.630 9.231 1.00 40.24 H new ATOM 0 HE ARG A 30 2.484 -4.719 10.100 1.00 12.54 H new ATOM 0 HH11 ARG A 30 5.214 -2.662 10.986 1.00 12.25 H new ATOM 0 HH12 ARG A 30 4.871 -2.755 12.717 1.00 12.25 H new ATOM 0 HH21 ARG A 30 2.048 -4.831 12.323 1.00 72.11 H new ATOM 0 HH22 ARG A 30 3.086 -3.978 13.471 1.00 72.11 H new ATOM 497 N LEU A 31 4.709 -1.289 5.114 1.00 54.24 N ATOM 498 CA LEU A 31 5.619 -0.314 4.523 1.00 43.33 C ATOM 499 C LEU A 31 6.930 -0.974 4.108 1.00 1.32 C ATOM 500 O LEU A 31 7.521 -0.617 3.087 1.00 71.43 O ATOM 501 CB LEU A 31 5.896 0.820 5.513 1.00 33.32 C ATOM 502 CG LEU A 31 4.679 1.620 5.975 1.00 44.23 C ATOM 503 CD1 LEU A 31 4.834 2.038 7.429 1.00 33.23 C ATOM 504 CD2 LEU A 31 4.474 2.840 5.087 1.00 63.43 C ATOM 0 H LEU A 31 4.232 -0.965 5.955 1.00 54.24 H new ATOM 0 HA LEU A 31 5.143 0.097 3.633 1.00 43.33 H new ATOM 0 HB2 LEU A 31 6.383 0.397 6.392 1.00 33.32 H new ATOM 0 HB3 LEU A 31 6.606 1.509 5.056 1.00 33.32 H new ATOM 0 HG LEU A 31 3.798 0.983 5.894 1.00 44.23 H new ATOM 0 HD11 LEU A 31 3.957 2.607 7.740 1.00 33.23 H new ATOM 0 HD12 LEU A 31 4.931 1.151 8.054 1.00 33.23 H new ATOM 0 HD13 LEU A 31 5.725 2.657 7.537 1.00 33.23 H new ATOM 0 HD21 LEU A 31 3.603 3.398 5.431 1.00 63.43 H new ATOM 0 HD22 LEU A 31 5.356 3.478 5.136 1.00 63.43 H new ATOM 0 HD23 LEU A 31 4.316 2.518 4.058 1.00 63.43 H new ATOM 516 N LYS A 32 7.379 -1.939 4.903 1.00 10.42 N ATOM 517 CA LYS A 32 8.618 -2.652 4.617 1.00 13.24 C ATOM 518 C LYS A 32 8.621 -3.184 3.187 1.00 73.43 C ATOM 519 O LYS A 32 9.594 -3.009 2.452 1.00 64.32 O ATOM 520 CB LYS A 32 8.805 -3.806 5.603 1.00 64.41 C ATOM 521 CG LYS A 32 10.159 -3.807 6.291 1.00 42.51 C ATOM 522 CD LYS A 32 10.036 -3.459 7.765 1.00 31.32 C ATOM 523 CE LYS A 32 11.264 -2.716 8.267 1.00 71.01 C ATOM 524 NZ LYS A 32 10.908 -1.409 8.885 1.00 13.10 N ATOM 0 H LYS A 32 6.903 -2.246 5.751 1.00 10.42 H new ATOM 0 HA LYS A 32 9.446 -1.951 4.727 1.00 13.24 H new ATOM 0 HB2 LYS A 32 8.023 -3.756 6.360 1.00 64.41 H new ATOM 0 HB3 LYS A 32 8.676 -4.750 5.073 1.00 64.41 H new ATOM 0 HG2 LYS A 32 10.621 -4.789 6.185 1.00 42.51 H new ATOM 0 HG3 LYS A 32 10.818 -3.090 5.801 1.00 42.51 H new ATOM 0 HD2 LYS A 32 9.149 -2.845 7.922 1.00 31.32 H new ATOM 0 HD3 LYS A 32 9.899 -4.372 8.345 1.00 31.32 H new ATOM 0 HE2 LYS A 32 11.788 -3.332 8.998 1.00 71.01 H new ATOM 0 HE3 LYS A 32 11.952 -2.550 7.438 1.00 71.01 H new ATOM 0 HZ1 LYS A 32 11.772 -0.934 9.214 1.00 13.10 H new ATOM 0 HZ2 LYS A 32 10.431 -0.811 8.181 1.00 13.10 H new ATOM 0 HZ3 LYS A 32 10.272 -1.568 9.692 1.00 13.10 H new ATOM 538 N HIS A 33 7.528 -3.833 2.799 1.00 53.01 N ATOM 539 CA HIS A 33 7.405 -4.390 1.456 1.00 53.34 C ATOM 540 C HIS A 33 7.345 -3.278 0.412 1.00 43.34 C ATOM 541 O HIS A 33 7.879 -3.494 -0.675 1.00 31.21 O ATOM 542 CB HIS A 33 6.156 -5.266 1.357 1.00 1.32 C ATOM 543 CG HIS A 33 6.106 -6.355 2.384 1.00 34.14 C ATOM 544 ND1 HIS A 33 5.200 -6.371 3.422 1.00 50.31 N ATOM 545 CD2 HIS A 33 6.857 -7.472 2.526 1.00 33.34 C ATOM 546 CE1 HIS A 33 5.396 -7.449 4.160 1.00 13.43 C ATOM 547 NE2 HIS A 33 6.397 -8.135 3.636 1.00 4.31 N ATOM 0 H HIS A 33 6.715 -3.986 3.395 1.00 53.01 H new ATOM 0 HA HIS A 33 8.285 -5.002 1.260 1.00 53.34 H new ATOM 0 HB2 HIS A 33 5.272 -4.637 1.463 1.00 1.32 H new ATOM 0 HB3 HIS A 33 6.113 -5.712 0.364 1.00 1.32 H new ATOM 0 HD2 HIS A 33 7.668 -7.784 1.885 1.00 33.34 H new ATOM 0 HE1 HIS A 33 4.834 -7.723 5.041 1.00 13.43 H new ATOM 0 HE2 HIS A 33 6.767 -9.014 3.998 1.00 4.31 H new ATOM 555 N ILE A 34 6.732 -2.136 0.703 1.00 45.43 N ATOM 556 CA ILE A 34 6.649 -1.046 -0.262 1.00 70.33 C ATOM 557 C ILE A 34 8.035 -0.508 -0.602 1.00 1.40 C ATOM 558 O ILE A 34 8.305 -0.133 -1.743 1.00 24.00 O ATOM 559 CB ILE A 34 5.778 0.109 0.265 1.00 40.03 C ATOM 560 CG1 ILE A 34 4.449 -0.429 0.800 1.00 2.12 C ATOM 561 CG2 ILE A 34 5.537 1.135 -0.831 1.00 12.05 C ATOM 562 CD1 ILE A 34 3.517 0.652 1.303 1.00 33.11 C ATOM 0 H ILE A 34 6.285 -1.941 1.599 1.00 45.43 H new ATOM 0 HA ILE A 34 6.189 -1.455 -1.161 1.00 70.33 H new ATOM 0 HB ILE A 34 6.307 0.598 1.083 1.00 40.03 H new ATOM 0 HG12 ILE A 34 3.949 -0.990 0.010 1.00 2.12 H new ATOM 0 HG13 ILE A 34 4.650 -1.130 1.610 1.00 2.12 H new ATOM 0 HG21 ILE A 34 4.920 1.945 -0.442 1.00 12.05 H new ATOM 0 HG22 ILE A 34 6.492 1.537 -1.169 1.00 12.05 H new ATOM 0 HG23 ILE A 34 5.026 0.660 -1.668 1.00 12.05 H new ATOM 0 HD11 ILE A 34 2.595 0.198 1.667 1.00 33.11 H new ATOM 0 HD12 ILE A 34 3.998 1.198 2.115 1.00 33.11 H new ATOM 0 HD13 ILE A 34 3.286 1.340 0.490 1.00 33.11 H new ATOM 574 N VAL A 35 8.912 -0.474 0.396 1.00 75.14 N ATOM 575 CA VAL A 35 10.273 0.016 0.204 1.00 25.24 C ATOM 576 C VAL A 35 11.118 -0.997 -0.561 1.00 64.44 C ATOM 577 O VAL A 35 11.883 -0.635 -1.453 1.00 12.34 O ATOM 578 CB VAL A 35 10.953 0.325 1.549 1.00 52.15 C ATOM 579 CG1 VAL A 35 12.389 0.777 1.330 1.00 14.33 C ATOM 580 CG2 VAL A 35 10.166 1.377 2.316 1.00 32.12 C ATOM 0 H VAL A 35 8.705 -0.780 1.347 1.00 75.14 H new ATOM 0 HA VAL A 35 10.200 0.936 -0.376 1.00 25.24 H new ATOM 0 HB VAL A 35 10.971 -0.588 2.145 1.00 52.15 H new ATOM 0 HG11 VAL A 35 12.854 0.991 2.292 1.00 14.33 H new ATOM 0 HG12 VAL A 35 12.946 -0.013 0.826 1.00 14.33 H new ATOM 0 HG13 VAL A 35 12.397 1.677 0.715 1.00 14.33 H new ATOM 0 HG21 VAL A 35 10.662 1.583 3.265 1.00 32.12 H new ATOM 0 HG22 VAL A 35 10.114 2.293 1.728 1.00 32.12 H new ATOM 0 HG23 VAL A 35 9.157 1.010 2.506 1.00 32.12 H new ATOM 590 N TRP A 36 10.972 -2.268 -0.205 1.00 21.51 N ATOM 591 CA TRP A 36 11.723 -3.336 -0.857 1.00 1.54 C ATOM 592 C TRP A 36 11.429 -3.370 -2.354 1.00 74.35 C ATOM 593 O TRP A 36 12.240 -3.853 -3.143 1.00 0.30 O ATOM 594 CB TRP A 36 11.382 -4.686 -0.227 1.00 23.40 C ATOM 595 CG TRP A 36 11.989 -5.850 -0.951 1.00 3.22 C ATOM 596 CD1 TRP A 36 13.122 -6.529 -0.607 1.00 0.23 C ATOM 597 CD2 TRP A 36 11.493 -6.469 -2.143 1.00 75.32 C ATOM 598 NE1 TRP A 36 13.362 -7.533 -1.514 1.00 50.34 N ATOM 599 CE2 TRP A 36 12.377 -7.518 -2.465 1.00 22.24 C ATOM 600 CE3 TRP A 36 10.389 -6.242 -2.969 1.00 61.15 C ATOM 601 CZ2 TRP A 36 12.189 -8.334 -3.578 1.00 42.10 C ATOM 602 CZ3 TRP A 36 10.204 -7.052 -4.073 1.00 61.14 C ATOM 603 CH2 TRP A 36 11.100 -8.089 -4.368 1.00 4.52 C ATOM 0 H TRP A 36 10.341 -2.585 0.531 1.00 21.51 H new ATOM 0 HA TRP A 36 12.786 -3.138 -0.718 1.00 1.54 H new ATOM 0 HB2 TRP A 36 11.724 -4.693 0.808 1.00 23.40 H new ATOM 0 HB3 TRP A 36 10.299 -4.806 -0.205 1.00 23.40 H new ATOM 0 HD1 TRP A 36 13.739 -6.309 0.252 1.00 0.23 H new ATOM 0 HE1 TRP A 36 14.147 -8.184 -1.484 1.00 50.34 H new ATOM 0 HE3 TRP A 36 9.692 -5.447 -2.748 1.00 61.15 H new ATOM 0 HZ2 TRP A 36 12.879 -9.132 -3.809 1.00 42.10 H new ATOM 0 HZ3 TRP A 36 9.355 -6.883 -4.719 1.00 61.14 H new ATOM 0 HH2 TRP A 36 10.927 -8.707 -5.237 1.00 4.52 H new ATOM 614 N ALA A 37 10.265 -2.857 -2.736 1.00 45.03 N ATOM 615 CA ALA A 37 9.865 -2.828 -4.137 1.00 33.03 C ATOM 616 C ALA A 37 10.531 -1.670 -4.873 1.00 4.40 C ATOM 617 O ALA A 37 11.040 -1.836 -5.981 1.00 2.05 O ATOM 618 CB ALA A 37 8.351 -2.730 -4.253 1.00 34.21 C ATOM 0 H ALA A 37 9.582 -2.455 -2.094 1.00 45.03 H new ATOM 0 HA ALA A 37 10.193 -3.757 -4.602 1.00 33.03 H new ATOM 0 HB1 ALA A 37 8.067 -2.709 -5.305 1.00 34.21 H new ATOM 0 HB2 ALA A 37 7.892 -3.593 -3.770 1.00 34.21 H new ATOM 0 HB3 ALA A 37 8.007 -1.817 -3.766 1.00 34.21 H new ATOM 624 N ALA A 38 10.521 -0.496 -4.251 1.00 43.44 N ATOM 625 CA ALA A 38 11.124 0.690 -4.847 1.00 23.11 C ATOM 626 C ALA A 38 12.602 0.463 -5.144 1.00 75.13 C ATOM 627 O ALA A 38 13.121 0.935 -6.155 1.00 1.14 O ATOM 628 CB ALA A 38 10.947 1.891 -3.929 1.00 64.43 C ATOM 0 H ALA A 38 10.102 -0.341 -3.334 1.00 43.44 H new ATOM 0 HA ALA A 38 10.616 0.890 -5.791 1.00 23.11 H new ATOM 0 HB1 ALA A 38 11.402 2.769 -4.387 1.00 64.43 H new ATOM 0 HB2 ALA A 38 9.884 2.074 -3.770 1.00 64.43 H new ATOM 0 HB3 ALA A 38 11.428 1.691 -2.971 1.00 64.43 H new ATOM 634 N ASN A 39 13.276 -0.262 -4.257 1.00 41.15 N ATOM 635 CA ASN A 39 14.695 -0.550 -4.424 1.00 14.13 C ATOM 636 C ASN A 39 14.958 -1.230 -5.764 1.00 63.43 C ATOM 637 O ASN A 39 15.981 -0.989 -6.405 1.00 62.31 O ATOM 638 CB ASN A 39 15.195 -1.437 -3.282 1.00 14.44 C ATOM 639 CG ASN A 39 16.689 -1.688 -3.357 1.00 45.35 C ATOM 640 OD1 ASN A 39 17.493 -0.772 -3.184 1.00 42.41 O ATOM 641 ND2 ASN A 39 17.067 -2.934 -3.615 1.00 62.52 N ATOM 0 H ASN A 39 12.861 -0.661 -3.415 1.00 41.15 H new ATOM 0 HA ASN A 39 15.237 0.396 -4.404 1.00 14.13 H new ATOM 0 HB2 ASN A 39 14.956 -0.966 -2.328 1.00 14.44 H new ATOM 0 HB3 ASN A 39 14.667 -2.390 -3.308 1.00 14.44 H new ATOM 0 HD21 ASN A 39 18.059 -3.164 -3.677 1.00 62.52 H new ATOM 0 HD22 ASN A 39 16.366 -3.662 -3.751 1.00 62.52 H new ATOM 648 N LYS A 40 14.027 -2.080 -6.182 1.00 61.45 N ATOM 649 CA LYS A 40 14.155 -2.795 -7.447 1.00 62.24 C ATOM 650 C LYS A 40 13.967 -1.849 -8.628 1.00 73.55 C ATOM 651 O LYS A 40 14.712 -1.908 -9.607 1.00 50.11 O ATOM 652 CB LYS A 40 13.130 -3.929 -7.520 1.00 22.45 C ATOM 653 CG LYS A 40 13.670 -5.195 -8.163 1.00 21.32 C ATOM 654 CD LYS A 40 14.536 -5.986 -7.197 1.00 55.40 C ATOM 655 CE LYS A 40 14.641 -7.447 -7.608 1.00 4.14 C ATOM 656 NZ LYS A 40 15.629 -8.188 -6.777 1.00 1.22 N ATOM 0 H LYS A 40 13.175 -2.291 -5.663 1.00 61.45 H new ATOM 0 HA LYS A 40 15.159 -3.216 -7.498 1.00 62.24 H new ATOM 0 HB2 LYS A 40 12.785 -4.162 -6.512 1.00 22.45 H new ATOM 0 HB3 LYS A 40 12.262 -3.587 -8.083 1.00 22.45 H new ATOM 0 HG2 LYS A 40 12.840 -5.815 -8.500 1.00 21.32 H new ATOM 0 HG3 LYS A 40 14.253 -4.935 -9.047 1.00 21.32 H new ATOM 0 HD2 LYS A 40 15.532 -5.546 -7.157 1.00 55.40 H new ATOM 0 HD3 LYS A 40 14.117 -5.919 -6.193 1.00 55.40 H new ATOM 0 HE2 LYS A 40 13.663 -7.921 -7.518 1.00 4.14 H new ATOM 0 HE3 LYS A 40 14.930 -7.509 -8.657 1.00 4.14 H new ATOM 0 HZ1 LYS A 40 15.671 -9.179 -7.089 1.00 1.22 H new ATOM 0 HZ2 LYS A 40 16.567 -7.752 -6.882 1.00 1.22 H new ATOM 0 HZ3 LYS A 40 15.340 -8.151 -5.779 1.00 1.22 H new ATOM 670 N LEU A 41 12.970 -0.977 -8.529 1.00 50.44 N ATOM 671 CA LEU A 41 12.686 -0.016 -9.589 1.00 11.15 C ATOM 672 C LEU A 41 13.948 0.740 -9.991 1.00 40.22 C ATOM 673 O LEU A 41 14.091 1.164 -11.138 1.00 54.10 O ATOM 674 CB LEU A 41 11.609 0.971 -9.135 1.00 21.04 C ATOM 675 CG LEU A 41 10.169 0.458 -9.175 1.00 50.01 C ATOM 676 CD1 LEU A 41 9.356 1.062 -8.041 1.00 23.10 C ATOM 677 CD2 LEU A 41 9.528 0.772 -10.520 1.00 30.51 C ATOM 0 H LEU A 41 12.345 -0.916 -7.726 1.00 50.44 H new ATOM 0 HA LEU A 41 12.323 -0.567 -10.457 1.00 11.15 H new ATOM 0 HB2 LEU A 41 11.835 1.281 -8.115 1.00 21.04 H new ATOM 0 HB3 LEU A 41 11.674 1.862 -9.760 1.00 21.04 H new ATOM 0 HG LEU A 41 10.185 -0.624 -9.047 1.00 50.01 H new ATOM 0 HD11 LEU A 41 8.334 0.686 -8.085 1.00 23.10 H new ATOM 0 HD12 LEU A 41 9.803 0.786 -7.086 1.00 23.10 H new ATOM 0 HD13 LEU A 41 9.347 2.148 -8.138 1.00 23.10 H new ATOM 0 HD21 LEU A 41 8.504 0.400 -10.531 1.00 30.51 H new ATOM 0 HD22 LEU A 41 9.524 1.850 -10.678 1.00 30.51 H new ATOM 0 HD23 LEU A 41 10.097 0.291 -11.315 1.00 30.51 H new ATOM 689 N ASP A 42 14.861 0.904 -9.040 1.00 35.13 N ATOM 690 CA ASP A 42 16.113 1.607 -9.296 1.00 72.35 C ATOM 691 C ASP A 42 17.054 0.751 -10.139 1.00 21.02 C ATOM 692 O ASP A 42 17.589 1.210 -11.148 1.00 74.21 O ATOM 693 CB ASP A 42 16.790 1.983 -7.976 1.00 34.35 C ATOM 694 CG ASP A 42 16.321 3.324 -7.447 1.00 31.43 C ATOM 695 OD1 ASP A 42 15.093 3.529 -7.358 1.00 40.24 O ATOM 696 OD2 ASP A 42 17.183 4.166 -7.121 1.00 3.00 O ATOM 0 H ASP A 42 14.758 0.560 -8.085 1.00 35.13 H new ATOM 0 HA ASP A 42 15.884 2.517 -9.850 1.00 72.35 H new ATOM 0 HB2 ASP A 42 16.586 1.211 -7.234 1.00 34.35 H new ATOM 0 HB3 ASP A 42 17.870 2.010 -8.120 1.00 34.35 H new ATOM 701 N ARG A 43 17.252 -0.493 -9.718 1.00 60.35 N ATOM 702 CA ARG A 43 18.129 -1.412 -10.433 1.00 70.34 C ATOM 703 C ARG A 43 17.786 -1.447 -11.918 1.00 14.32 C ATOM 704 O ARG A 43 18.633 -1.760 -12.755 1.00 32.21 O ATOM 705 CB ARG A 43 18.022 -2.819 -9.840 1.00 2.32 C ATOM 706 CG ARG A 43 19.250 -3.680 -10.090 1.00 23.11 C ATOM 707 CD ARG A 43 20.060 -3.875 -8.818 1.00 22.14 C ATOM 708 NE ARG A 43 21.321 -4.567 -9.074 1.00 44.14 N ATOM 709 CZ ARG A 43 22.246 -4.775 -8.144 1.00 54.00 C ATOM 710 NH1 ARG A 43 22.054 -4.348 -6.904 1.00 43.21 N ATOM 711 NH2 ARG A 43 23.369 -5.412 -8.454 1.00 25.31 N ATOM 0 H ARG A 43 16.817 -0.888 -8.885 1.00 60.35 H new ATOM 0 HA ARG A 43 19.153 -1.056 -10.323 1.00 70.34 H new ATOM 0 HB2 ARG A 43 17.857 -2.740 -8.766 1.00 2.32 H new ATOM 0 HB3 ARG A 43 17.148 -3.316 -10.261 1.00 2.32 H new ATOM 0 HG2 ARG A 43 18.942 -4.650 -10.480 1.00 23.11 H new ATOM 0 HG3 ARG A 43 19.874 -3.214 -10.852 1.00 23.11 H new ATOM 0 HD2 ARG A 43 20.264 -2.905 -8.366 1.00 22.14 H new ATOM 0 HD3 ARG A 43 19.473 -4.445 -8.098 1.00 22.14 H new ATOM 0 HE ARG A 43 21.501 -4.909 -10.018 1.00 44.14 H new ATOM 0 HH11 ARG A 43 21.193 -3.858 -6.661 1.00 43.21 H new ATOM 0 HH12 ARG A 43 22.767 -4.510 -6.193 1.00 43.21 H new ATOM 0 HH21 ARG A 43 23.522 -5.742 -9.407 1.00 25.31 H new ATOM 0 HH22 ARG A 43 24.079 -5.571 -7.739 1.00 25.31 H new ATOM 725 N PHE A 44 16.538 -1.123 -12.240 1.00 53.51 N ATOM 726 CA PHE A 44 16.081 -1.117 -13.625 1.00 70.21 C ATOM 727 C PHE A 44 16.088 0.298 -14.194 1.00 64.10 C ATOM 728 O PHE A 44 16.535 0.525 -15.317 1.00 13.13 O ATOM 729 CB PHE A 44 14.676 -1.713 -13.723 1.00 42.14 C ATOM 730 CG PHE A 44 14.630 -3.190 -13.457 1.00 61.22 C ATOM 731 CD1 PHE A 44 15.278 -4.079 -14.300 1.00 24.43 C ATOM 732 CD2 PHE A 44 13.941 -3.691 -12.364 1.00 40.34 C ATOM 733 CE1 PHE A 44 15.236 -5.440 -14.059 1.00 10.30 C ATOM 734 CE2 PHE A 44 13.898 -5.050 -12.117 1.00 10.31 C ATOM 735 CZ PHE A 44 14.547 -5.925 -12.965 1.00 33.11 C ATOM 0 H PHE A 44 15.824 -0.861 -11.560 1.00 53.51 H new ATOM 0 HA PHE A 44 16.768 -1.728 -14.211 1.00 70.21 H new ATOM 0 HB2 PHE A 44 14.024 -1.204 -13.013 1.00 42.14 H new ATOM 0 HB3 PHE A 44 14.277 -1.519 -14.718 1.00 42.14 H new ATOM 0 HD1 PHE A 44 15.822 -3.705 -15.155 1.00 24.43 H new ATOM 0 HD2 PHE A 44 13.431 -3.011 -11.697 1.00 40.34 H new ATOM 0 HE1 PHE A 44 15.742 -6.123 -14.726 1.00 10.30 H new ATOM 0 HE2 PHE A 44 13.357 -5.427 -11.262 1.00 10.31 H new ATOM 0 HZ PHE A 44 14.516 -6.987 -12.773 1.00 33.11 H new ATOM 745 N GLY A 45 15.586 1.248 -13.410 1.00 25.04 N ATOM 746 CA GLY A 45 15.541 2.629 -13.853 1.00 33.43 C ATOM 747 C GLY A 45 14.231 3.308 -13.504 1.00 51.30 C ATOM 748 O GLY A 45 14.219 4.454 -13.053 1.00 4.31 O ATOM 0 H GLY A 45 15.210 1.085 -12.476 1.00 25.04 H new ATOM 0 HA2 GLY A 45 16.364 3.180 -13.399 1.00 33.43 H new ATOM 0 HA3 GLY A 45 15.690 2.666 -14.932 1.00 33.43 H new ATOM 752 N LEU A 46 13.126 2.602 -13.715 1.00 72.30 N ATOM 753 CA LEU A 46 11.804 3.144 -13.421 1.00 33.42 C ATOM 754 C LEU A 46 11.811 3.911 -12.103 1.00 63.41 C ATOM 755 O LEU A 46 12.463 3.506 -11.142 1.00 53.43 O ATOM 756 CB LEU A 46 10.770 2.018 -13.364 1.00 74.51 C ATOM 757 CG LEU A 46 9.976 1.770 -14.646 1.00 61.21 C ATOM 758 CD1 LEU A 46 10.274 0.385 -15.200 1.00 63.22 C ATOM 759 CD2 LEU A 46 8.485 1.934 -14.388 1.00 10.42 C ATOM 0 H LEU A 46 13.119 1.653 -14.089 1.00 72.30 H new ATOM 0 HA LEU A 46 11.536 3.835 -14.221 1.00 33.42 H new ATOM 0 HB2 LEU A 46 11.282 1.095 -13.094 1.00 74.51 H new ATOM 0 HB3 LEU A 46 10.066 2.239 -12.562 1.00 74.51 H new ATOM 0 HG LEU A 46 10.280 2.508 -15.388 1.00 61.21 H new ATOM 0 HD11 LEU A 46 9.699 0.227 -16.113 1.00 63.22 H new ATOM 0 HD12 LEU A 46 11.338 0.303 -15.422 1.00 63.22 H new ATOM 0 HD13 LEU A 46 9.998 -0.369 -14.463 1.00 63.22 H new ATOM 0 HD21 LEU A 46 7.934 1.754 -15.311 1.00 10.42 H new ATOM 0 HD22 LEU A 46 8.166 1.219 -13.630 1.00 10.42 H new ATOM 0 HD23 LEU A 46 8.286 2.947 -14.038 1.00 10.42 H new ATOM 771 N ALA A 47 11.079 5.020 -12.066 1.00 62.50 N ATOM 772 CA ALA A 47 10.997 5.841 -10.865 1.00 0.44 C ATOM 773 C ALA A 47 10.173 5.151 -9.783 1.00 10.42 C ATOM 774 O ALA A 47 9.237 4.409 -10.082 1.00 73.13 O ATOM 775 CB ALA A 47 10.403 7.203 -11.196 1.00 30.45 C ATOM 0 H ALA A 47 10.534 5.370 -12.854 1.00 62.50 H new ATOM 0 HA ALA A 47 12.007 5.981 -10.481 1.00 0.44 H new ATOM 0 HB1 ALA A 47 10.348 7.806 -10.290 1.00 30.45 H new ATOM 0 HB2 ALA A 47 11.034 7.707 -11.929 1.00 30.45 H new ATOM 0 HB3 ALA A 47 9.402 7.073 -11.607 1.00 30.45 H new ATOM 781 N GLU A 48 10.527 5.401 -8.526 1.00 3.33 N ATOM 782 CA GLU A 48 9.820 4.802 -7.401 1.00 63.43 C ATOM 783 C GLU A 48 8.540 5.573 -7.090 1.00 63.34 C ATOM 784 O GLU A 48 7.607 5.034 -6.494 1.00 75.15 O ATOM 785 CB GLU A 48 10.721 4.767 -6.164 1.00 42.23 C ATOM 786 CG GLU A 48 11.319 6.118 -5.809 1.00 45.24 C ATOM 787 CD GLU A 48 11.953 6.131 -4.432 1.00 42.23 C ATOM 788 OE1 GLU A 48 12.563 5.111 -4.049 1.00 51.13 O ATOM 789 OE2 GLU A 48 11.839 7.162 -3.736 1.00 12.12 O ATOM 0 H GLU A 48 11.298 6.014 -8.262 1.00 3.33 H new ATOM 0 HA GLU A 48 9.552 3.782 -7.675 1.00 63.43 H new ATOM 0 HB2 GLU A 48 10.144 4.400 -5.315 1.00 42.23 H new ATOM 0 HB3 GLU A 48 11.528 4.055 -6.333 1.00 42.23 H new ATOM 0 HG2 GLU A 48 12.069 6.386 -6.553 1.00 45.24 H new ATOM 0 HG3 GLU A 48 10.540 6.879 -5.854 1.00 45.24 H new ATOM 796 N SER A 49 8.504 6.837 -7.497 1.00 1.54 N ATOM 797 CA SER A 49 7.341 7.684 -7.259 1.00 42.22 C ATOM 798 C SER A 49 6.150 7.220 -8.093 1.00 34.23 C ATOM 799 O SER A 49 5.031 7.704 -7.921 1.00 11.55 O ATOM 800 CB SER A 49 7.670 9.142 -7.586 1.00 41.41 C ATOM 801 OG SER A 49 9.061 9.389 -7.472 1.00 5.51 O ATOM 0 H SER A 49 9.267 7.298 -7.993 1.00 1.54 H new ATOM 0 HA SER A 49 7.076 7.606 -6.205 1.00 42.22 H new ATOM 0 HB2 SER A 49 7.338 9.375 -8.598 1.00 41.41 H new ATOM 0 HB3 SER A 49 7.124 9.801 -6.911 1.00 41.41 H new ATOM 0 HG SER A 49 9.493 9.235 -8.338 1.00 5.51 H new ATOM 807 N LEU A 50 6.401 6.279 -8.996 1.00 21.53 N ATOM 808 CA LEU A 50 5.351 5.748 -9.858 1.00 24.23 C ATOM 809 C LEU A 50 4.496 4.730 -9.112 1.00 64.41 C ATOM 810 O LEU A 50 3.536 4.186 -9.661 1.00 41.10 O ATOM 811 CB LEU A 50 5.963 5.102 -11.103 1.00 10.21 C ATOM 812 CG LEU A 50 6.802 6.021 -11.991 1.00 31.13 C ATOM 813 CD1 LEU A 50 7.608 5.206 -12.992 1.00 73.12 C ATOM 814 CD2 LEU A 50 5.912 7.024 -12.712 1.00 35.44 C ATOM 0 H LEU A 50 7.322 5.868 -9.150 1.00 21.53 H new ATOM 0 HA LEU A 50 4.713 6.577 -10.163 1.00 24.23 H new ATOM 0 HB2 LEU A 50 6.588 4.267 -10.785 1.00 10.21 H new ATOM 0 HB3 LEU A 50 5.156 4.685 -11.706 1.00 10.21 H new ATOM 0 HG LEU A 50 7.497 6.571 -11.357 1.00 31.13 H new ATOM 0 HD11 LEU A 50 8.199 5.877 -13.615 1.00 73.12 H new ATOM 0 HD12 LEU A 50 8.273 4.528 -12.457 1.00 73.12 H new ATOM 0 HD13 LEU A 50 6.930 4.629 -13.621 1.00 73.12 H new ATOM 0 HD21 LEU A 50 6.526 7.670 -13.340 1.00 35.44 H new ATOM 0 HD22 LEU A 50 5.193 6.491 -13.334 1.00 35.44 H new ATOM 0 HD23 LEU A 50 5.379 7.630 -11.979 1.00 35.44 H new ATOM 826 N LEU A 51 4.849 4.476 -7.856 1.00 3.33 N ATOM 827 CA LEU A 51 4.112 3.524 -7.032 1.00 61.12 C ATOM 828 C LEU A 51 2.875 4.175 -6.421 1.00 1.41 C ATOM 829 O LEU A 51 2.121 3.533 -5.691 1.00 24.20 O ATOM 830 CB LEU A 51 5.013 2.975 -5.924 1.00 41.50 C ATOM 831 CG LEU A 51 5.752 1.675 -6.243 1.00 62.10 C ATOM 832 CD1 LEU A 51 6.972 1.520 -5.347 1.00 4.51 C ATOM 833 CD2 LEU A 51 4.821 0.481 -6.090 1.00 32.12 C ATOM 0 H LEU A 51 5.641 4.916 -7.387 1.00 3.33 H new ATOM 0 HA LEU A 51 3.789 2.702 -7.671 1.00 61.12 H new ATOM 0 HB2 LEU A 51 5.751 3.737 -5.672 1.00 41.50 H new ATOM 0 HB3 LEU A 51 4.404 2.815 -5.034 1.00 41.50 H new ATOM 0 HG LEU A 51 6.090 1.717 -7.278 1.00 62.10 H new ATOM 0 HD11 LEU A 51 7.485 0.589 -5.589 1.00 4.51 H new ATOM 0 HD12 LEU A 51 7.649 2.359 -5.506 1.00 4.51 H new ATOM 0 HD13 LEU A 51 6.657 1.500 -4.304 1.00 4.51 H new ATOM 0 HD21 LEU A 51 5.364 -0.436 -6.321 1.00 32.12 H new ATOM 0 HD22 LEU A 51 4.452 0.436 -5.065 1.00 32.12 H new ATOM 0 HD23 LEU A 51 3.979 0.586 -6.774 1.00 32.12 H new ATOM 845 N GLU A 52 2.673 5.454 -6.726 1.00 32.42 N ATOM 846 CA GLU A 52 1.527 6.190 -6.208 1.00 11.12 C ATOM 847 C GLU A 52 0.528 6.496 -7.321 1.00 71.02 C ATOM 848 O GLU A 52 -0.276 7.421 -7.210 1.00 22.21 O ATOM 849 CB GLU A 52 1.985 7.492 -5.548 1.00 70.10 C ATOM 850 CG GLU A 52 2.720 8.428 -6.492 1.00 53.41 C ATOM 851 CD GLU A 52 2.073 9.797 -6.578 1.00 51.34 C ATOM 852 OE1 GLU A 52 1.577 10.284 -5.540 1.00 12.41 O ATOM 853 OE2 GLU A 52 2.065 10.381 -7.681 1.00 23.32 O ATOM 0 H GLU A 52 3.288 6.000 -7.329 1.00 32.42 H new ATOM 0 HA GLU A 52 1.034 5.566 -5.462 1.00 11.12 H new ATOM 0 HB2 GLU A 52 1.116 8.009 -5.142 1.00 70.10 H new ATOM 0 HB3 GLU A 52 2.636 7.254 -4.707 1.00 70.10 H new ATOM 0 HG2 GLU A 52 3.752 8.538 -6.158 1.00 53.41 H new ATOM 0 HG3 GLU A 52 2.753 7.983 -7.486 1.00 53.41 H new ATOM 860 N SER A 53 0.588 5.712 -8.393 1.00 45.21 N ATOM 861 CA SER A 53 -0.308 5.901 -9.527 1.00 23.15 C ATOM 862 C SER A 53 -0.502 4.593 -10.290 1.00 53.52 C ATOM 863 O SER A 53 0.455 3.862 -10.546 1.00 2.14 O ATOM 864 CB SER A 53 0.244 6.974 -10.467 1.00 41.40 C ATOM 865 OG SER A 53 0.917 6.392 -11.569 1.00 24.41 O ATOM 0 H SER A 53 1.247 4.941 -8.500 1.00 45.21 H new ATOM 0 HA SER A 53 -1.275 6.226 -9.144 1.00 23.15 H new ATOM 0 HB2 SER A 53 -0.572 7.602 -10.826 1.00 41.40 H new ATOM 0 HB3 SER A 53 0.929 7.623 -9.921 1.00 41.40 H new ATOM 0 HG SER A 53 1.259 7.100 -12.155 1.00 24.41 H new ATOM 871 N LYS A 54 -1.748 4.304 -10.650 1.00 53.34 N ATOM 872 CA LYS A 54 -2.070 3.086 -11.384 1.00 41.33 C ATOM 873 C LYS A 54 -1.274 3.008 -12.682 1.00 24.45 C ATOM 874 O LYS A 54 -0.668 1.981 -12.988 1.00 64.02 O ATOM 875 CB LYS A 54 -3.569 3.032 -11.688 1.00 73.04 C ATOM 876 CG LYS A 54 -4.097 4.278 -12.377 1.00 55.11 C ATOM 877 CD LYS A 54 -5.610 4.369 -12.283 1.00 44.52 C ATOM 878 CE LYS A 54 -6.047 5.138 -11.045 1.00 74.14 C ATOM 879 NZ LYS A 54 -6.284 6.578 -11.342 1.00 43.15 N ATOM 0 H LYS A 54 -2.552 4.897 -10.445 1.00 53.34 H new ATOM 0 HA LYS A 54 -1.801 2.233 -10.761 1.00 41.33 H new ATOM 0 HB2 LYS A 54 -3.772 2.166 -12.318 1.00 73.04 H new ATOM 0 HB3 LYS A 54 -4.115 2.884 -10.756 1.00 73.04 H new ATOM 0 HG2 LYS A 54 -3.650 5.163 -11.924 1.00 55.11 H new ATOM 0 HG3 LYS A 54 -3.797 4.270 -13.425 1.00 55.11 H new ATOM 0 HD2 LYS A 54 -6.002 4.859 -13.174 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -6.035 3.366 -12.258 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -6.959 4.695 -10.645 1.00 74.14 H new ATOM 0 HE3 LYS A 54 -5.283 5.047 -10.273 1.00 74.14 H new ATOM 0 HZ1 LYS A 54 -6.580 7.067 -10.473 1.00 43.15 H new ATOM 0 HZ2 LYS A 54 -5.407 7.008 -11.700 1.00 43.15 H new ATOM 0 HZ3 LYS A 54 -7.031 6.666 -12.061 1.00 43.15 H new ATOM 893 N GLU A 55 -1.279 4.099 -13.442 1.00 32.15 N ATOM 894 CA GLU A 55 -0.556 4.151 -14.707 1.00 21.22 C ATOM 895 C GLU A 55 0.903 3.747 -14.518 1.00 21.12 C ATOM 896 O GLU A 55 1.433 2.924 -15.264 1.00 64.01 O ATOM 897 CB GLU A 55 -0.633 5.557 -15.307 1.00 43.51 C ATOM 898 CG GLU A 55 -0.874 5.567 -16.806 1.00 24.34 C ATOM 899 CD GLU A 55 0.412 5.656 -17.605 1.00 40.24 C ATOM 900 OE1 GLU A 55 1.281 6.476 -17.238 1.00 24.45 O ATOM 901 OE2 GLU A 55 0.551 4.907 -18.594 1.00 70.34 O ATOM 0 H GLU A 55 -1.775 4.958 -13.204 1.00 32.15 H new ATOM 0 HA GLU A 55 -1.025 3.445 -15.392 1.00 21.22 H new ATOM 0 HB2 GLU A 55 -1.434 6.109 -14.815 1.00 43.51 H new ATOM 0 HB3 GLU A 55 0.296 6.085 -15.094 1.00 43.51 H new ATOM 0 HG2 GLU A 55 -1.411 4.662 -17.090 1.00 24.34 H new ATOM 0 HG3 GLU A 55 -1.515 6.411 -17.061 1.00 24.34 H new ATOM 908 N GLY A 56 1.547 4.332 -13.513 1.00 14.02 N ATOM 909 CA GLY A 56 2.939 4.021 -13.243 1.00 0.04 C ATOM 910 C GLY A 56 3.156 2.553 -12.935 1.00 65.21 C ATOM 911 O GLY A 56 4.133 1.956 -13.385 1.00 34.45 O ATOM 0 H GLY A 56 1.130 5.016 -12.881 1.00 14.02 H new ATOM 0 HA2 GLY A 56 3.544 4.302 -14.105 1.00 0.04 H new ATOM 0 HA3 GLY A 56 3.285 4.621 -12.401 1.00 0.04 H new ATOM 915 N CYS A 57 2.243 1.971 -12.164 1.00 14.33 N ATOM 916 CA CYS A 57 2.341 0.563 -11.794 1.00 53.32 C ATOM 917 C CYS A 57 2.125 -0.334 -13.008 1.00 52.20 C ATOM 918 O CYS A 57 2.670 -1.435 -13.082 1.00 52.35 O ATOM 919 CB CYS A 57 1.318 0.229 -10.708 1.00 63.55 C ATOM 920 SG CYS A 57 1.994 0.231 -9.031 1.00 45.25 S ATOM 0 H CYS A 57 1.428 2.452 -11.784 1.00 14.33 H new ATOM 0 HA CYS A 57 3.344 0.382 -11.406 1.00 53.32 H new ATOM 0 HB2 CYS A 57 0.501 0.949 -10.760 1.00 63.55 H new ATOM 0 HB3 CYS A 57 0.892 -0.753 -10.915 1.00 63.55 H new ATOM 0 HG CYS A 57 1.524 1.250 -8.375 1.00 45.25 H new ATOM 926 N GLN A 58 1.325 0.143 -13.955 1.00 52.31 N ATOM 927 CA GLN A 58 1.034 -0.618 -15.165 1.00 55.11 C ATOM 928 C GLN A 58 2.299 -0.828 -15.991 1.00 23.34 C ATOM 929 O GLN A 58 2.534 -1.915 -16.520 1.00 21.12 O ATOM 930 CB GLN A 58 -0.024 0.100 -16.004 1.00 51.15 C ATOM 931 CG GLN A 58 -1.202 -0.783 -16.382 1.00 42.31 C ATOM 932 CD GLN A 58 -1.431 -0.839 -17.879 1.00 3.34 C ATOM 933 OE1 GLN A 58 -1.211 -1.871 -18.514 1.00 4.51 O ATOM 934 NE2 GLN A 58 -1.877 0.273 -18.453 1.00 64.22 N ATOM 0 H GLN A 58 0.866 1.053 -13.908 1.00 52.31 H new ATOM 0 HA GLN A 58 0.649 -1.593 -14.867 1.00 55.11 H new ATOM 0 HB2 GLN A 58 -0.391 0.964 -15.449 1.00 51.15 H new ATOM 0 HB3 GLN A 58 0.442 0.480 -16.914 1.00 51.15 H new ATOM 0 HG2 GLN A 58 -1.031 -1.792 -16.006 1.00 42.31 H new ATOM 0 HG3 GLN A 58 -2.102 -0.410 -15.894 1.00 42.31 H new ATOM 0 HE21 GLN A 58 -2.046 1.106 -17.889 1.00 64.22 H new ATOM 0 HE22 GLN A 58 -2.051 0.294 -19.458 1.00 64.22 H new ATOM 943 N LYS A 59 3.110 0.218 -16.100 1.00 11.43 N ATOM 944 CA LYS A 59 4.351 0.150 -16.862 1.00 61.50 C ATOM 945 C LYS A 59 5.368 -0.747 -16.164 1.00 74.04 C ATOM 946 O LYS A 59 6.330 -1.208 -16.780 1.00 24.44 O ATOM 947 CB LYS A 59 4.936 1.550 -17.052 1.00 44.34 C ATOM 948 CG LYS A 59 5.573 1.764 -18.414 1.00 51.44 C ATOM 949 CD LYS A 59 6.838 2.599 -18.313 1.00 55.33 C ATOM 950 CE LYS A 59 6.520 4.081 -18.181 1.00 23.33 C ATOM 951 NZ LYS A 59 7.061 4.868 -19.323 1.00 40.31 N ATOM 0 H LYS A 59 2.930 1.125 -15.669 1.00 11.43 H new ATOM 0 HA LYS A 59 4.125 -0.277 -17.839 1.00 61.50 H new ATOM 0 HB2 LYS A 59 4.146 2.287 -16.910 1.00 44.34 H new ATOM 0 HB3 LYS A 59 5.683 1.731 -16.279 1.00 44.34 H new ATOM 0 HG2 LYS A 59 5.808 0.799 -18.862 1.00 51.44 H new ATOM 0 HG3 LYS A 59 4.862 2.258 -19.076 1.00 51.44 H new ATOM 0 HD2 LYS A 59 7.422 2.273 -17.452 1.00 55.33 H new ATOM 0 HD3 LYS A 59 7.454 2.436 -19.197 1.00 55.33 H new ATOM 0 HE2 LYS A 59 5.440 4.217 -18.125 1.00 23.33 H new ATOM 0 HE3 LYS A 59 6.938 4.460 -17.248 1.00 23.33 H new ATOM 0 HZ1 LYS A 59 6.823 5.872 -19.196 1.00 40.31 H new ATOM 0 HZ2 LYS A 59 8.095 4.759 -19.361 1.00 40.31 H new ATOM 0 HZ3 LYS A 59 6.643 4.523 -20.211 1.00 40.31 H new ATOM 965 N ILE A 60 5.150 -0.991 -14.876 1.00 74.11 N ATOM 966 CA ILE A 60 6.048 -1.834 -14.095 1.00 3.23 C ATOM 967 C ILE A 60 5.769 -3.312 -14.347 1.00 74.53 C ATOM 968 O ILE A 60 6.694 -4.113 -14.495 1.00 44.13 O ATOM 969 CB ILE A 60 5.921 -1.548 -12.588 1.00 42.34 C ATOM 970 CG1 ILE A 60 6.336 -0.107 -12.283 1.00 1.13 C ATOM 971 CG2 ILE A 60 6.767 -2.529 -11.790 1.00 44.54 C ATOM 972 CD1 ILE A 60 5.872 0.382 -10.929 1.00 50.30 C ATOM 0 H ILE A 60 4.359 -0.617 -14.351 1.00 74.11 H new ATOM 0 HA ILE A 60 7.063 -1.598 -14.416 1.00 3.23 H new ATOM 0 HB ILE A 60 4.879 -1.675 -12.295 1.00 42.34 H new ATOM 0 HG12 ILE A 60 7.422 -0.032 -12.335 1.00 1.13 H new ATOM 0 HG13 ILE A 60 5.934 0.549 -13.055 1.00 1.13 H new ATOM 0 HG21 ILE A 60 6.667 -2.314 -10.726 1.00 44.54 H new ATOM 0 HG22 ILE A 60 6.429 -3.546 -11.988 1.00 44.54 H new ATOM 0 HG23 ILE A 60 7.812 -2.431 -12.083 1.00 44.54 H new ATOM 0 HD11 ILE A 60 6.202 1.410 -10.781 1.00 50.30 H new ATOM 0 HD12 ILE A 60 4.784 0.339 -10.880 1.00 50.30 H new ATOM 0 HD13 ILE A 60 6.295 -0.251 -10.149 1.00 50.30 H new ATOM 984 N LEU A 61 4.491 -3.667 -14.394 1.00 22.25 N ATOM 985 CA LEU A 61 4.089 -5.050 -14.630 1.00 71.12 C ATOM 986 C LEU A 61 4.638 -5.558 -15.959 1.00 23.14 C ATOM 987 O LEU A 61 5.054 -6.712 -16.072 1.00 43.05 O ATOM 988 CB LEU A 61 2.564 -5.168 -14.616 1.00 62.34 C ATOM 989 CG LEU A 61 1.892 -5.032 -13.249 1.00 22.40 C ATOM 990 CD1 LEU A 61 0.380 -5.126 -13.386 1.00 50.23 C ATOM 991 CD2 LEU A 61 2.411 -6.096 -12.291 1.00 5.24 C ATOM 0 H LEU A 61 3.714 -3.017 -14.272 1.00 22.25 H new ATOM 0 HA LEU A 61 4.502 -5.664 -13.830 1.00 71.12 H new ATOM 0 HB2 LEU A 61 2.155 -4.404 -15.277 1.00 62.34 H new ATOM 0 HB3 LEU A 61 2.291 -6.135 -15.038 1.00 62.34 H new ATOM 0 HG LEU A 61 2.139 -4.052 -12.840 1.00 22.40 H new ATOM 0 HD11 LEU A 61 -0.081 -5.027 -12.403 1.00 50.23 H new ATOM 0 HD12 LEU A 61 0.023 -4.327 -14.036 1.00 50.23 H new ATOM 0 HD13 LEU A 61 0.113 -6.091 -13.817 1.00 50.23 H new ATOM 0 HD21 LEU A 61 1.922 -5.984 -11.323 1.00 5.24 H new ATOM 0 HD22 LEU A 61 2.195 -7.085 -12.694 1.00 5.24 H new ATOM 0 HD23 LEU A 61 3.488 -5.981 -12.169 1.00 5.24 H new ATOM 1003 N THR A 62 4.638 -4.688 -16.965 1.00 52.24 N ATOM 1004 CA THR A 62 5.137 -5.048 -18.286 1.00 54.43 C ATOM 1005 C THR A 62 6.639 -5.308 -18.255 1.00 54.12 C ATOM 1006 O THR A 62 7.163 -6.079 -19.059 1.00 40.23 O ATOM 1007 CB THR A 62 4.841 -3.944 -19.317 1.00 2.54 C ATOM 1008 OG1 THR A 62 4.615 -4.525 -20.606 1.00 33.34 O ATOM 1009 CG2 THR A 62 5.993 -2.953 -19.397 1.00 44.44 C ATOM 0 H THR A 62 4.298 -3.729 -16.889 1.00 52.24 H new ATOM 0 HA THR A 62 4.619 -5.960 -18.581 1.00 54.43 H new ATOM 0 HB THR A 62 3.946 -3.411 -18.997 1.00 2.54 H new ATOM 0 HG1 THR A 62 4.426 -3.816 -21.256 1.00 33.34 H new ATOM 0 HG21 THR A 62 5.760 -2.183 -20.132 1.00 44.44 H new ATOM 0 HG22 THR A 62 6.143 -2.490 -18.422 1.00 44.44 H new ATOM 0 HG23 THR A 62 6.902 -3.475 -19.695 1.00 44.44 H new ATOM 1017 N VAL A 63 7.328 -4.660 -17.320 1.00 21.00 N ATOM 1018 CA VAL A 63 8.771 -4.823 -17.183 1.00 4.51 C ATOM 1019 C VAL A 63 9.109 -6.096 -16.416 1.00 62.13 C ATOM 1020 O VAL A 63 10.073 -6.791 -16.739 1.00 11.01 O ATOM 1021 CB VAL A 63 9.405 -3.619 -16.463 1.00 12.50 C ATOM 1022 CG1 VAL A 63 10.904 -3.822 -16.302 1.00 1.14 C ATOM 1023 CG2 VAL A 63 9.111 -2.331 -17.219 1.00 34.41 C ATOM 0 H VAL A 63 6.910 -4.018 -16.647 1.00 21.00 H new ATOM 0 HA VAL A 63 9.180 -4.890 -18.191 1.00 4.51 H new ATOM 0 HB VAL A 63 8.965 -3.539 -15.469 1.00 12.50 H new ATOM 0 HG11 VAL A 63 11.335 -2.961 -15.791 1.00 1.14 H new ATOM 0 HG12 VAL A 63 11.088 -4.722 -15.715 1.00 1.14 H new ATOM 0 HG13 VAL A 63 11.364 -3.929 -17.284 1.00 1.14 H new ATOM 0 HG21 VAL A 63 9.567 -1.490 -16.696 1.00 34.41 H new ATOM 0 HG22 VAL A 63 9.523 -2.398 -18.226 1.00 34.41 H new ATOM 0 HG23 VAL A 63 8.033 -2.181 -17.277 1.00 34.41 H new ATOM 1033 N LEU A 64 8.311 -6.396 -15.397 1.00 10.25 N ATOM 1034 CA LEU A 64 8.525 -7.588 -14.583 1.00 42.53 C ATOM 1035 C LEU A 64 7.989 -8.831 -15.284 1.00 2.50 C ATOM 1036 O LEU A 64 8.414 -9.950 -14.998 1.00 75.11 O ATOM 1037 CB LEU A 64 7.849 -7.425 -13.220 1.00 64.34 C ATOM 1038 CG LEU A 64 8.466 -6.385 -12.284 1.00 41.32 C ATOM 1039 CD1 LEU A 64 7.553 -6.129 -11.095 1.00 24.20 C ATOM 1040 CD2 LEU A 64 9.841 -6.838 -11.815 1.00 2.51 C ATOM 0 H LEU A 64 7.510 -5.831 -15.115 1.00 10.25 H new ATOM 0 HA LEU A 64 9.598 -7.711 -14.438 1.00 42.53 H new ATOM 0 HB2 LEU A 64 6.804 -7.162 -13.384 1.00 64.34 H new ATOM 0 HB3 LEU A 64 7.859 -8.391 -12.714 1.00 64.34 H new ATOM 0 HG LEU A 64 8.582 -5.452 -12.835 1.00 41.32 H new ATOM 0 HD11 LEU A 64 8.008 -5.386 -10.440 1.00 24.20 H new ATOM 0 HD12 LEU A 64 6.590 -5.760 -11.448 1.00 24.20 H new ATOM 0 HD13 LEU A 64 7.405 -7.057 -10.543 1.00 24.20 H new ATOM 0 HD21 LEU A 64 10.265 -6.086 -11.150 1.00 2.51 H new ATOM 0 HD22 LEU A 64 9.750 -7.784 -11.281 1.00 2.51 H new ATOM 0 HD23 LEU A 64 10.495 -6.969 -12.677 1.00 2.51 H new ATOM 1052 N ASP A 65 7.053 -8.627 -16.206 1.00 72.23 N ATOM 1053 CA ASP A 65 6.461 -9.731 -16.952 1.00 43.15 C ATOM 1054 C ASP A 65 7.543 -10.634 -17.536 1.00 54.01 C ATOM 1055 O ASP A 65 7.639 -11.818 -17.214 1.00 5.22 O ATOM 1056 CB ASP A 65 5.565 -9.197 -18.070 1.00 13.14 C ATOM 1057 CG ASP A 65 4.091 -9.357 -17.757 1.00 1.12 C ATOM 1058 OD1 ASP A 65 3.676 -8.980 -16.641 1.00 52.32 O ATOM 1059 OD2 ASP A 65 3.351 -9.860 -18.629 1.00 52.41 O ATOM 0 H ASP A 65 6.689 -7.707 -16.454 1.00 72.23 H new ATOM 0 HA ASP A 65 5.855 -10.320 -16.263 1.00 43.15 H new ATOM 0 HB2 ASP A 65 5.786 -8.143 -18.236 1.00 13.14 H new ATOM 0 HB3 ASP A 65 5.795 -9.721 -18.998 1.00 13.14 H new ATOM 1064 N PRO A 66 8.377 -10.063 -18.418 1.00 42.00 N ATOM 1065 CA PRO A 66 9.467 -10.799 -19.067 1.00 63.10 C ATOM 1066 C PRO A 66 10.584 -11.158 -18.093 1.00 12.25 C ATOM 1067 O PRO A 66 11.443 -11.985 -18.398 1.00 13.21 O ATOM 1068 CB PRO A 66 9.975 -9.818 -20.127 1.00 44.12 C ATOM 1069 CG PRO A 66 9.610 -8.471 -19.603 1.00 60.51 C ATOM 1070 CD PRO A 66 8.321 -8.657 -18.849 1.00 55.24 C ATOM 0 HA PRO A 66 9.130 -11.752 -19.475 1.00 63.10 H new ATOM 0 HB2 PRO A 66 11.052 -9.910 -20.267 1.00 44.12 H new ATOM 0 HB3 PRO A 66 9.510 -10.005 -21.095 1.00 44.12 H new ATOM 0 HG2 PRO A 66 10.391 -8.081 -18.951 1.00 60.51 H new ATOM 0 HG3 PRO A 66 9.487 -7.756 -20.416 1.00 60.51 H new ATOM 0 HD2 PRO A 66 8.252 -7.979 -17.999 1.00 55.24 H new ATOM 0 HD3 PRO A 66 7.454 -8.465 -19.482 1.00 55.24 H new ATOM 1078 N MET A 67 10.566 -10.531 -16.922 1.00 50.01 N ATOM 1079 CA MET A 67 11.578 -10.787 -15.903 1.00 5.01 C ATOM 1080 C MET A 67 11.238 -12.041 -15.103 1.00 54.12 C ATOM 1081 O MET A 67 12.114 -12.656 -14.495 1.00 72.03 O ATOM 1082 CB MET A 67 11.701 -9.586 -14.963 1.00 33.04 C ATOM 1083 CG MET A 67 12.255 -8.341 -15.639 1.00 62.54 C ATOM 1084 SD MET A 67 14.058 -8.293 -15.636 1.00 5.05 S ATOM 1085 CE MET A 67 14.403 -8.511 -17.380 1.00 14.13 C ATOM 0 H MET A 67 9.863 -9.842 -16.655 1.00 50.01 H new ATOM 0 HA MET A 67 12.532 -10.945 -16.405 1.00 5.01 H new ATOM 0 HB2 MET A 67 10.720 -9.358 -14.547 1.00 33.04 H new ATOM 0 HB3 MET A 67 12.347 -9.854 -14.127 1.00 33.04 H new ATOM 0 HG2 MET A 67 11.896 -8.300 -16.667 1.00 62.54 H new ATOM 0 HG3 MET A 67 11.871 -7.456 -15.132 1.00 62.54 H new ATOM 0 HE1 MET A 67 15.481 -8.504 -17.541 1.00 14.13 H new ATOM 0 HE2 MET A 67 13.992 -9.463 -17.716 1.00 14.13 H new ATOM 0 HE3 MET A 67 13.946 -7.699 -17.946 1.00 14.13 H new ATOM 1095 N VAL A 68 9.962 -12.413 -15.108 1.00 74.52 N ATOM 1096 CA VAL A 68 9.509 -13.594 -14.383 1.00 23.23 C ATOM 1097 C VAL A 68 10.260 -14.841 -14.837 1.00 3.11 C ATOM 1098 O VAL A 68 10.909 -15.527 -14.047 1.00 1.15 O ATOM 1099 CB VAL A 68 7.997 -13.823 -14.573 1.00 50.42 C ATOM 1100 CG1 VAL A 68 7.658 -15.298 -14.432 1.00 23.25 C ATOM 1101 CG2 VAL A 68 7.204 -12.988 -13.578 1.00 53.11 C ATOM 0 H VAL A 68 9.224 -11.914 -15.606 1.00 74.52 H new ATOM 0 HA VAL A 68 9.714 -13.414 -13.328 1.00 23.23 H new ATOM 0 HB VAL A 68 7.723 -13.507 -15.579 1.00 50.42 H new ATOM 0 HG11 VAL A 68 6.586 -15.440 -14.569 1.00 23.25 H new ATOM 0 HG12 VAL A 68 8.199 -15.869 -15.186 1.00 23.25 H new ATOM 0 HG13 VAL A 68 7.945 -15.644 -13.439 1.00 23.25 H new ATOM 0 HG21 VAL A 68 6.138 -13.161 -13.726 1.00 53.11 H new ATOM 0 HG22 VAL A 68 7.481 -13.272 -12.563 1.00 53.11 H new ATOM 0 HG23 VAL A 68 7.425 -11.932 -13.732 1.00 53.11 H new ATOM 1111 N PRO A 69 10.172 -15.142 -16.141 1.00 21.41 N ATOM 1112 CA PRO A 69 10.839 -16.308 -16.731 1.00 50.11 C ATOM 1113 C PRO A 69 12.355 -16.150 -16.769 1.00 43.23 C ATOM 1114 O PRO A 69 13.069 -17.030 -17.250 1.00 11.11 O ATOM 1115 CB PRO A 69 10.271 -16.360 -18.151 1.00 52.01 C ATOM 1116 CG PRO A 69 9.866 -14.958 -18.449 1.00 61.12 C ATOM 1117 CD PRO A 69 9.416 -14.370 -17.141 1.00 41.24 C ATOM 0 HA PRO A 69 10.662 -17.215 -16.153 1.00 50.11 H new ATOM 0 HB2 PRO A 69 11.016 -16.716 -18.862 1.00 52.01 H new ATOM 0 HB3 PRO A 69 9.421 -17.039 -18.213 1.00 52.01 H new ATOM 0 HG2 PRO A 69 10.699 -14.391 -18.866 1.00 61.12 H new ATOM 0 HG3 PRO A 69 9.063 -14.932 -19.185 1.00 61.12 H new ATOM 0 HD2 PRO A 69 9.641 -13.305 -17.081 1.00 41.24 H new ATOM 0 HD3 PRO A 69 8.340 -14.477 -17.002 1.00 41.24 H new ATOM 1125 N THR A 70 12.841 -15.024 -16.257 1.00 73.23 N ATOM 1126 CA THR A 70 14.273 -14.751 -16.233 1.00 1.51 C ATOM 1127 C THR A 70 14.686 -14.095 -14.920 1.00 30.33 C ATOM 1128 O THR A 70 15.548 -13.217 -14.898 1.00 64.44 O ATOM 1129 CB THR A 70 14.691 -13.840 -17.402 1.00 0.12 C ATOM 1130 OG1 THR A 70 13.781 -13.998 -18.496 1.00 22.41 O ATOM 1131 CG2 THR A 70 16.105 -14.163 -17.862 1.00 44.21 C ATOM 0 H THR A 70 12.264 -14.286 -15.853 1.00 73.23 H new ATOM 0 HA THR A 70 14.779 -15.711 -16.331 1.00 1.51 H new ATOM 0 HB THR A 70 14.666 -12.807 -17.055 1.00 0.12 H new ATOM 0 HG1 THR A 70 13.077 -13.319 -18.436 1.00 22.41 H new ATOM 0 HG21 THR A 70 16.378 -13.507 -18.688 1.00 44.21 H new ATOM 0 HG22 THR A 70 16.800 -14.013 -17.035 1.00 44.21 H new ATOM 0 HG23 THR A 70 16.152 -15.201 -18.192 1.00 44.21 H new ATOM 1139 N GLY A 71 14.066 -14.528 -13.827 1.00 50.22 N ATOM 1140 CA GLY A 71 14.383 -13.972 -12.524 1.00 13.40 C ATOM 1141 C GLY A 71 14.171 -14.967 -11.402 1.00 75.33 C ATOM 1142 O GLY A 71 13.734 -16.094 -11.636 1.00 71.12 O ATOM 0 H GLY A 71 13.350 -15.254 -13.820 1.00 50.22 H new ATOM 0 HA2 GLY A 71 15.420 -13.638 -12.518 1.00 13.40 H new ATOM 0 HA3 GLY A 71 13.764 -13.093 -12.347 1.00 13.40 H new ATOM 1146 N SER A 72 14.483 -14.552 -10.178 1.00 30.22 N ATOM 1147 CA SER A 72 14.330 -15.417 -9.014 1.00 22.43 C ATOM 1148 C SER A 72 13.298 -14.847 -8.046 1.00 31.42 C ATOM 1149 O SER A 72 12.589 -13.895 -8.368 1.00 52.24 O ATOM 1150 CB SER A 72 15.672 -15.594 -8.302 1.00 12.43 C ATOM 1151 OG SER A 72 15.843 -14.619 -7.287 1.00 21.55 O ATOM 0 H SER A 72 14.843 -13.621 -9.967 1.00 30.22 H new ATOM 0 HA SER A 72 13.980 -16.390 -9.359 1.00 22.43 H new ATOM 0 HB2 SER A 72 15.727 -16.591 -7.866 1.00 12.43 H new ATOM 0 HB3 SER A 72 16.484 -15.517 -9.025 1.00 12.43 H new ATOM 0 HG SER A 72 16.707 -14.754 -6.846 1.00 21.55 H new ATOM 1157 N GLU A 73 13.221 -15.439 -6.857 1.00 31.13 N ATOM 1158 CA GLU A 73 12.276 -14.991 -5.842 1.00 71.01 C ATOM 1159 C GLU A 73 12.424 -13.495 -5.584 1.00 41.44 C ATOM 1160 O GLU A 73 11.434 -12.777 -5.447 1.00 24.45 O ATOM 1161 CB GLU A 73 12.486 -15.768 -4.540 1.00 44.34 C ATOM 1162 CG GLU A 73 12.442 -17.276 -4.717 1.00 54.13 C ATOM 1163 CD GLU A 73 13.728 -17.952 -4.281 1.00 42.02 C ATOM 1164 OE1 GLU A 73 14.267 -17.575 -3.220 1.00 44.05 O ATOM 1165 OE2 GLU A 73 14.194 -18.859 -5.000 1.00 32.35 O ATOM 0 H GLU A 73 13.801 -16.229 -6.574 1.00 31.13 H new ATOM 0 HA GLU A 73 11.268 -15.180 -6.211 1.00 71.01 H new ATOM 0 HB2 GLU A 73 13.449 -15.489 -4.112 1.00 44.34 H new ATOM 0 HB3 GLU A 73 11.720 -15.472 -3.823 1.00 44.34 H new ATOM 0 HG2 GLU A 73 11.610 -17.682 -4.142 1.00 54.13 H new ATOM 0 HG3 GLU A 73 12.250 -17.510 -5.764 1.00 54.13 H new ATOM 1172 N ASN A 74 13.668 -13.031 -5.518 1.00 64.31 N ATOM 1173 CA ASN A 74 13.946 -11.620 -5.274 1.00 1.24 C ATOM 1174 C ASN A 74 13.262 -10.743 -6.319 1.00 43.03 C ATOM 1175 O ASN A 74 12.986 -9.568 -6.075 1.00 33.40 O ATOM 1176 CB ASN A 74 15.454 -11.367 -5.289 1.00 11.22 C ATOM 1177 CG ASN A 74 16.203 -12.284 -4.341 1.00 51.32 C ATOM 1178 OD1 ASN A 74 15.607 -12.910 -3.465 1.00 11.12 O ATOM 1179 ND2 ASN A 74 17.518 -12.366 -4.513 1.00 3.20 N ATOM 0 H ASN A 74 14.499 -13.611 -5.630 1.00 64.31 H new ATOM 0 HA ASN A 74 13.550 -11.361 -4.292 1.00 1.24 H new ATOM 0 HB2 ASN A 74 15.833 -11.507 -6.301 1.00 11.22 H new ATOM 0 HB3 ASN A 74 15.648 -10.330 -5.016 1.00 11.22 H new ATOM 0 HD21 ASN A 74 18.075 -12.966 -3.905 1.00 3.20 H new ATOM 0 HD22 ASN A 74 17.970 -11.829 -5.253 1.00 3.20 H new ATOM 1186 N LEU A 75 12.989 -11.323 -7.483 1.00 41.32 N ATOM 1187 CA LEU A 75 12.337 -10.595 -8.566 1.00 3.42 C ATOM 1188 C LEU A 75 10.836 -10.872 -8.581 1.00 13.34 C ATOM 1189 O LEU A 75 10.023 -9.948 -8.584 1.00 22.44 O ATOM 1190 CB LEU A 75 12.953 -10.981 -9.912 1.00 70.32 C ATOM 1191 CG LEU A 75 12.572 -10.100 -11.102 1.00 21.32 C ATOM 1192 CD1 LEU A 75 13.780 -9.858 -11.993 1.00 3.41 C ATOM 1193 CD2 LEU A 75 11.440 -10.736 -11.895 1.00 2.15 C ATOM 0 H LEU A 75 13.209 -12.295 -7.701 1.00 41.32 H new ATOM 0 HA LEU A 75 12.490 -9.529 -8.398 1.00 3.42 H new ATOM 0 HB2 LEU A 75 14.038 -10.969 -9.809 1.00 70.32 H new ATOM 0 HB3 LEU A 75 12.666 -12.008 -10.139 1.00 70.32 H new ATOM 0 HG LEU A 75 12.227 -9.138 -10.723 1.00 21.32 H new ATOM 0 HD11 LEU A 75 13.491 -9.229 -12.835 1.00 3.41 H new ATOM 0 HD12 LEU A 75 14.561 -9.359 -11.419 1.00 3.41 H new ATOM 0 HD13 LEU A 75 14.155 -10.812 -12.364 1.00 3.41 H new ATOM 0 HD21 LEU A 75 11.182 -10.095 -12.738 1.00 2.15 H new ATOM 0 HD22 LEU A 75 11.757 -11.711 -12.264 1.00 2.15 H new ATOM 0 HD23 LEU A 75 10.569 -10.858 -11.252 1.00 2.15 H new ATOM 1205 N LYS A 76 10.477 -12.151 -8.591 1.00 62.51 N ATOM 1206 CA LYS A 76 9.076 -12.553 -8.603 1.00 2.21 C ATOM 1207 C LYS A 76 8.295 -11.836 -7.505 1.00 23.21 C ATOM 1208 O LYS A 76 7.130 -11.481 -7.689 1.00 14.13 O ATOM 1209 CB LYS A 76 8.955 -14.067 -8.422 1.00 72.32 C ATOM 1210 CG LYS A 76 7.922 -14.709 -9.331 1.00 13.14 C ATOM 1211 CD LYS A 76 7.903 -16.220 -9.176 1.00 24.22 C ATOM 1212 CE LYS A 76 9.236 -16.838 -9.570 1.00 41.44 C ATOM 1213 NZ LYS A 76 10.140 -16.997 -8.397 1.00 31.42 N ATOM 0 H LYS A 76 11.138 -12.928 -8.591 1.00 62.51 H new ATOM 0 HA LYS A 76 8.653 -12.274 -9.568 1.00 2.21 H new ATOM 0 HB2 LYS A 76 9.926 -14.525 -8.609 1.00 72.32 H new ATOM 0 HB3 LYS A 76 8.697 -14.281 -7.385 1.00 72.32 H new ATOM 0 HG2 LYS A 76 6.935 -14.307 -9.102 1.00 13.14 H new ATOM 0 HG3 LYS A 76 8.139 -14.452 -10.368 1.00 13.14 H new ATOM 0 HD2 LYS A 76 7.673 -16.478 -8.142 1.00 24.22 H new ATOM 0 HD3 LYS A 76 7.109 -16.640 -9.794 1.00 24.22 H new ATOM 0 HE2 LYS A 76 9.064 -17.811 -10.031 1.00 41.44 H new ATOM 0 HE3 LYS A 76 9.720 -16.212 -10.319 1.00 41.44 H new ATOM 0 HZ1 LYS A 76 11.068 -16.582 -8.615 1.00 31.42 H new ATOM 0 HZ2 LYS A 76 9.729 -16.512 -7.574 1.00 31.42 H new ATOM 0 HZ3 LYS A 76 10.254 -18.008 -8.181 1.00 31.42 H new ATOM 1227 N SER A 77 8.944 -11.625 -6.364 1.00 32.24 N ATOM 1228 CA SER A 77 8.310 -10.952 -5.237 1.00 22.35 C ATOM 1229 C SER A 77 7.756 -9.594 -5.656 1.00 11.24 C ATOM 1230 O SER A 77 6.679 -9.188 -5.219 1.00 43.34 O ATOM 1231 CB SER A 77 9.310 -10.777 -4.092 1.00 3.15 C ATOM 1232 OG SER A 77 9.141 -11.783 -3.109 1.00 12.03 O ATOM 0 H SER A 77 9.909 -11.911 -6.196 1.00 32.24 H new ATOM 0 HA SER A 77 7.482 -11.572 -4.895 1.00 22.35 H new ATOM 0 HB2 SER A 77 10.326 -10.814 -4.484 1.00 3.15 H new ATOM 0 HB3 SER A 77 9.179 -9.795 -3.638 1.00 3.15 H new ATOM 0 HG SER A 77 9.793 -11.650 -2.389 1.00 12.03 H new ATOM 1238 N LEU A 78 8.501 -8.896 -6.507 1.00 45.52 N ATOM 1239 CA LEU A 78 8.085 -7.582 -6.987 1.00 22.31 C ATOM 1240 C LEU A 78 6.886 -7.698 -7.922 1.00 61.00 C ATOM 1241 O LEU A 78 5.975 -6.870 -7.887 1.00 14.43 O ATOM 1242 CB LEU A 78 9.244 -6.892 -7.708 1.00 50.42 C ATOM 1243 CG LEU A 78 9.006 -5.439 -8.122 1.00 71.35 C ATOM 1244 CD1 LEU A 78 8.926 -4.542 -6.897 1.00 43.53 C ATOM 1245 CD2 LEU A 78 10.107 -4.964 -9.060 1.00 22.53 C ATOM 0 H LEU A 78 9.395 -9.217 -6.878 1.00 45.52 H new ATOM 0 HA LEU A 78 7.792 -6.983 -6.125 1.00 22.31 H new ATOM 0 HB2 LEU A 78 10.120 -6.926 -7.061 1.00 50.42 H new ATOM 0 HB3 LEU A 78 9.485 -7.469 -8.601 1.00 50.42 H new ATOM 0 HG LEU A 78 8.055 -5.384 -8.652 1.00 71.35 H new ATOM 0 HD11 LEU A 78 8.756 -3.512 -7.211 1.00 43.53 H new ATOM 0 HD12 LEU A 78 8.103 -4.868 -6.261 1.00 43.53 H new ATOM 0 HD13 LEU A 78 9.861 -4.602 -6.340 1.00 43.53 H new ATOM 0 HD21 LEU A 78 9.921 -3.928 -9.344 1.00 22.53 H new ATOM 0 HD22 LEU A 78 11.071 -5.035 -8.555 1.00 22.53 H new ATOM 0 HD23 LEU A 78 10.119 -5.589 -9.953 1.00 22.53 H new ATOM 1257 N PHE A 79 6.891 -8.733 -8.756 1.00 5.54 N ATOM 1258 CA PHE A 79 5.802 -8.958 -9.700 1.00 3.14 C ATOM 1259 C PHE A 79 4.477 -9.145 -8.968 1.00 62.42 C ATOM 1260 O PHE A 79 3.426 -8.716 -9.444 1.00 32.41 O ATOM 1261 CB PHE A 79 6.096 -10.184 -10.567 1.00 54.13 C ATOM 1262 CG PHE A 79 5.248 -10.261 -11.804 1.00 11.12 C ATOM 1263 CD1 PHE A 79 5.050 -9.141 -12.596 1.00 43.14 C ATOM 1264 CD2 PHE A 79 4.648 -11.454 -12.176 1.00 51.41 C ATOM 1265 CE1 PHE A 79 4.270 -9.209 -13.734 1.00 5.54 C ATOM 1266 CE2 PHE A 79 3.868 -11.528 -13.314 1.00 62.33 C ATOM 1267 CZ PHE A 79 3.677 -10.404 -14.093 1.00 41.40 C ATOM 0 H PHE A 79 7.636 -9.428 -8.797 1.00 5.54 H new ATOM 0 HA PHE A 79 5.722 -8.079 -10.340 1.00 3.14 H new ATOM 0 HB2 PHE A 79 7.147 -10.171 -10.857 1.00 54.13 H new ATOM 0 HB3 PHE A 79 5.941 -11.085 -9.973 1.00 54.13 H new ATOM 0 HD1 PHE A 79 5.511 -8.204 -12.320 1.00 43.14 H new ATOM 0 HD2 PHE A 79 4.792 -12.336 -11.569 1.00 51.41 H new ATOM 0 HE1 PHE A 79 4.124 -8.329 -14.343 1.00 5.54 H new ATOM 0 HE2 PHE A 79 3.408 -12.464 -13.594 1.00 62.33 H new ATOM 0 HZ PHE A 79 3.065 -10.459 -14.981 1.00 41.40 H new ATOM 1277 N ASN A 80 4.535 -9.789 -7.807 1.00 1.31 N ATOM 1278 CA ASN A 80 3.339 -10.034 -7.008 1.00 70.10 C ATOM 1279 C ASN A 80 2.929 -8.780 -6.243 1.00 0.21 C ATOM 1280 O ASN A 80 1.743 -8.536 -6.017 1.00 73.33 O ATOM 1281 CB ASN A 80 3.582 -11.186 -6.030 1.00 63.13 C ATOM 1282 CG ASN A 80 3.833 -12.503 -6.738 1.00 44.12 C ATOM 1283 OD1 ASN A 80 4.693 -12.596 -7.613 1.00 0.22 O ATOM 1284 ND2 ASN A 80 3.080 -13.530 -6.361 1.00 12.44 N ATOM 0 H ASN A 80 5.397 -10.151 -7.398 1.00 1.31 H new ATOM 0 HA ASN A 80 2.529 -10.305 -7.685 1.00 70.10 H new ATOM 0 HB2 ASN A 80 4.437 -10.948 -5.398 1.00 63.13 H new ATOM 0 HB3 ASN A 80 2.719 -11.289 -5.373 1.00 63.13 H new ATOM 0 HD21 ASN A 80 3.203 -14.442 -6.802 1.00 12.44 H new ATOM 0 HD22 ASN A 80 2.379 -13.407 -5.631 1.00 12.44 H new ATOM 1291 N THR A 81 3.919 -7.985 -5.847 1.00 63.11 N ATOM 1292 CA THR A 81 3.662 -6.756 -5.107 1.00 43.51 C ATOM 1293 C THR A 81 2.993 -5.711 -5.992 1.00 0.41 C ATOM 1294 O THR A 81 1.990 -5.108 -5.609 1.00 42.02 O ATOM 1295 CB THR A 81 4.962 -6.166 -4.529 1.00 61.11 C ATOM 1296 OG1 THR A 81 5.712 -7.191 -3.865 1.00 14.33 O ATOM 1297 CG2 THR A 81 4.658 -5.041 -3.551 1.00 14.32 C ATOM 0 H THR A 81 4.906 -8.171 -6.027 1.00 63.11 H new ATOM 0 HA THR A 81 2.993 -7.015 -4.286 1.00 43.51 H new ATOM 0 HB THR A 81 5.549 -5.761 -5.353 1.00 61.11 H new ATOM 0 HG1 THR A 81 6.158 -7.754 -4.532 1.00 14.33 H new ATOM 0 HG21 THR A 81 5.591 -4.640 -3.156 1.00 14.32 H new ATOM 0 HG22 THR A 81 4.112 -4.250 -4.065 1.00 14.32 H new ATOM 0 HG23 THR A 81 4.052 -5.426 -2.730 1.00 14.32 H new ATOM 1305 N VAL A 82 3.554 -5.500 -7.178 1.00 33.43 N ATOM 1306 CA VAL A 82 3.011 -4.529 -8.120 1.00 43.42 C ATOM 1307 C VAL A 82 1.549 -4.826 -8.434 1.00 45.14 C ATOM 1308 O VAL A 82 0.792 -3.934 -8.820 1.00 14.05 O ATOM 1309 CB VAL A 82 3.813 -4.511 -9.434 1.00 4.23 C ATOM 1310 CG1 VAL A 82 3.160 -3.580 -10.446 1.00 20.20 C ATOM 1311 CG2 VAL A 82 5.254 -4.100 -9.173 1.00 70.53 C ATOM 0 H VAL A 82 4.385 -5.989 -7.510 1.00 33.43 H new ATOM 0 HA VAL A 82 3.086 -3.551 -7.644 1.00 43.42 H new ATOM 0 HB VAL A 82 3.816 -5.518 -9.851 1.00 4.23 H new ATOM 0 HG11 VAL A 82 3.741 -3.580 -11.368 1.00 20.20 H new ATOM 0 HG12 VAL A 82 2.147 -3.923 -10.655 1.00 20.20 H new ATOM 0 HG13 VAL A 82 3.124 -2.569 -10.040 1.00 20.20 H new ATOM 0 HG21 VAL A 82 5.806 -4.093 -10.113 1.00 70.53 H new ATOM 0 HG22 VAL A 82 5.274 -3.103 -8.733 1.00 70.53 H new ATOM 0 HG23 VAL A 82 5.716 -4.809 -8.486 1.00 70.53 H new ATOM 1321 N CYS A 83 1.156 -6.084 -8.263 1.00 14.54 N ATOM 1322 CA CYS A 83 -0.216 -6.499 -8.529 1.00 70.11 C ATOM 1323 C CYS A 83 -1.164 -5.959 -7.463 1.00 31.20 C ATOM 1324 O CYS A 83 -2.315 -5.629 -7.749 1.00 31.40 O ATOM 1325 CB CYS A 83 -0.307 -8.025 -8.584 1.00 41.45 C ATOM 1326 SG CYS A 83 0.216 -8.740 -10.159 1.00 1.24 S ATOM 0 H CYS A 83 1.768 -6.834 -7.941 1.00 14.54 H new ATOM 0 HA CYS A 83 -0.513 -6.089 -9.494 1.00 70.11 H new ATOM 0 HB2 CYS A 83 0.306 -8.444 -7.786 1.00 41.45 H new ATOM 0 HB3 CYS A 83 -1.336 -8.324 -8.386 1.00 41.45 H new ATOM 0 HG CYS A 83 1.511 -8.857 -10.174 1.00 1.24 H new ATOM 1332 N VAL A 84 -0.672 -5.872 -6.231 1.00 51.51 N ATOM 1333 CA VAL A 84 -1.475 -5.372 -5.121 1.00 13.33 C ATOM 1334 C VAL A 84 -1.576 -3.850 -5.157 1.00 30.25 C ATOM 1335 O VAL A 84 -2.654 -3.286 -4.970 1.00 13.42 O ATOM 1336 CB VAL A 84 -0.887 -5.804 -3.764 1.00 43.11 C ATOM 1337 CG1 VAL A 84 -1.682 -5.195 -2.620 1.00 25.10 C ATOM 1338 CG2 VAL A 84 -0.858 -7.321 -3.656 1.00 42.33 C ATOM 0 H VAL A 84 0.278 -6.141 -5.977 1.00 51.51 H new ATOM 0 HA VAL A 84 -2.470 -5.802 -5.231 1.00 13.33 H new ATOM 0 HB VAL A 84 0.138 -5.438 -3.698 1.00 43.11 H new ATOM 0 HG11 VAL A 84 -1.252 -5.511 -1.669 1.00 25.10 H new ATOM 0 HG12 VAL A 84 -1.647 -4.108 -2.691 1.00 25.10 H new ATOM 0 HG13 VAL A 84 -2.718 -5.529 -2.679 1.00 25.10 H new ATOM 0 HG21 VAL A 84 -0.440 -7.609 -2.692 1.00 42.33 H new ATOM 0 HG22 VAL A 84 -1.872 -7.711 -3.743 1.00 42.33 H new ATOM 0 HG23 VAL A 84 -0.241 -7.731 -4.456 1.00 42.33 H new ATOM 1348 N ILE A 85 -0.447 -3.193 -5.399 1.00 73.40 N ATOM 1349 CA ILE A 85 -0.408 -1.738 -5.461 1.00 32.35 C ATOM 1350 C ILE A 85 -1.319 -1.210 -6.565 1.00 60.42 C ATOM 1351 O ILE A 85 -2.175 -0.360 -6.322 1.00 2.43 O ATOM 1352 CB ILE A 85 1.022 -1.222 -5.702 1.00 55.40 C ATOM 1353 CG1 ILE A 85 1.959 -1.716 -4.597 1.00 14.04 C ATOM 1354 CG2 ILE A 85 1.033 0.298 -5.773 1.00 2.00 C ATOM 1355 CD1 ILE A 85 1.704 -1.067 -3.255 1.00 74.52 C ATOM 0 H ILE A 85 0.453 -3.646 -5.555 1.00 73.40 H new ATOM 0 HA ILE A 85 -0.759 -1.372 -4.496 1.00 32.35 H new ATOM 0 HB ILE A 85 1.377 -1.613 -6.656 1.00 55.40 H new ATOM 0 HG12 ILE A 85 1.851 -2.796 -4.496 1.00 14.04 H new ATOM 0 HG13 ILE A 85 2.990 -1.525 -4.894 1.00 14.04 H new ATOM 0 HG21 ILE A 85 2.051 0.647 -5.944 1.00 2.00 H new ATOM 0 HG22 ILE A 85 0.394 0.629 -6.592 1.00 2.00 H new ATOM 0 HG23 ILE A 85 0.661 0.709 -4.834 1.00 2.00 H new ATOM 0 HD11 ILE A 85 2.404 -1.464 -2.520 1.00 74.52 H new ATOM 0 HD12 ILE A 85 1.840 0.011 -3.340 1.00 74.52 H new ATOM 0 HD13 ILE A 85 0.684 -1.279 -2.936 1.00 74.52 H new ATOM 1367 N TRP A 86 -1.130 -1.724 -7.775 1.00 45.44 N ATOM 1368 CA TRP A 86 -1.938 -1.305 -8.916 1.00 73.13 C ATOM 1369 C TRP A 86 -3.425 -1.430 -8.605 1.00 1.41 C ATOM 1370 O TRP A 86 -4.221 -0.568 -8.982 1.00 72.10 O ATOM 1371 CB TRP A 86 -1.589 -2.143 -10.147 1.00 13.53 C ATOM 1372 CG TRP A 86 -2.373 -1.762 -11.366 1.00 4.22 C ATOM 1373 CD1 TRP A 86 -1.968 -0.938 -12.377 1.00 21.51 C ATOM 1374 CD2 TRP A 86 -3.698 -2.189 -11.701 1.00 54.13 C ATOM 1375 NE1 TRP A 86 -2.961 -0.827 -13.320 1.00 12.12 N ATOM 1376 CE2 TRP A 86 -4.032 -1.586 -12.928 1.00 4.44 C ATOM 1377 CE3 TRP A 86 -4.634 -3.024 -11.084 1.00 32.01 C ATOM 1378 CZ2 TRP A 86 -5.262 -1.791 -13.548 1.00 3.30 C ATOM 1379 CZ3 TRP A 86 -5.854 -3.226 -11.699 1.00 1.34 C ATOM 1380 CH2 TRP A 86 -6.160 -2.613 -12.922 1.00 53.34 C ATOM 0 H TRP A 86 -0.426 -2.430 -7.992 1.00 45.44 H new ATOM 0 HA TRP A 86 -1.717 -0.258 -9.123 1.00 73.13 H new ATOM 0 HB2 TRP A 86 -0.525 -2.037 -10.360 1.00 13.53 H new ATOM 0 HB3 TRP A 86 -1.766 -3.195 -9.924 1.00 13.53 H new ATOM 0 HD1 TRP A 86 -1.008 -0.446 -12.428 1.00 21.51 H new ATOM 0 HE1 TRP A 86 -2.909 -0.270 -14.173 1.00 12.12 H new ATOM 0 HE3 TRP A 86 -4.407 -3.503 -10.143 1.00 32.01 H new ATOM 0 HZ2 TRP A 86 -5.499 -1.318 -14.490 1.00 3.30 H new ATOM 0 HZ3 TRP A 86 -6.585 -3.867 -11.229 1.00 1.34 H new ATOM 0 HH2 TRP A 86 -7.122 -2.793 -13.379 1.00 53.34 H new ATOM 1391 N CYS A 87 -3.794 -2.506 -7.919 1.00 52.24 N ATOM 1392 CA CYS A 87 -5.187 -2.742 -7.558 1.00 44.21 C ATOM 1393 C CYS A 87 -5.743 -1.579 -6.744 1.00 3.44 C ATOM 1394 O CYS A 87 -6.746 -0.969 -7.120 1.00 55.14 O ATOM 1395 CB CYS A 87 -5.317 -4.043 -6.766 1.00 72.45 C ATOM 1396 SG CYS A 87 -5.938 -5.439 -7.732 1.00 1.22 S ATOM 0 H CYS A 87 -3.148 -3.229 -7.602 1.00 52.24 H new ATOM 0 HA CYS A 87 -5.765 -2.826 -8.478 1.00 44.21 H new ATOM 0 HB2 CYS A 87 -4.342 -4.305 -6.356 1.00 72.45 H new ATOM 0 HB3 CYS A 87 -5.984 -3.875 -5.920 1.00 72.45 H new ATOM 0 HG CYS A 87 -4.937 -6.138 -8.178 1.00 1.22 H new ATOM 1402 N ILE A 88 -5.088 -1.277 -5.628 1.00 31.30 N ATOM 1403 CA ILE A 88 -5.518 -0.187 -4.761 1.00 12.22 C ATOM 1404 C ILE A 88 -5.782 1.082 -5.564 1.00 42.51 C ATOM 1405 O ILE A 88 -6.707 1.838 -5.265 1.00 44.12 O ATOM 1406 CB ILE A 88 -4.469 0.115 -3.674 1.00 11.04 C ATOM 1407 CG1 ILE A 88 -4.238 -1.120 -2.801 1.00 41.13 C ATOM 1408 CG2 ILE A 88 -4.912 1.296 -2.824 1.00 5.21 C ATOM 1409 CD1 ILE A 88 -2.825 -1.228 -2.270 1.00 24.32 C ATOM 0 H ILE A 88 -4.257 -1.772 -5.303 1.00 31.30 H new ATOM 0 HA ILE A 88 -6.442 -0.510 -4.282 1.00 12.22 H new ATOM 0 HB ILE A 88 -3.528 0.375 -4.159 1.00 11.04 H new ATOM 0 HG12 ILE A 88 -4.932 -1.097 -1.961 1.00 41.13 H new ATOM 0 HG13 ILE A 88 -4.469 -2.014 -3.381 1.00 41.13 H new ATOM 0 HG21 ILE A 88 -4.160 1.497 -2.061 1.00 5.21 H new ATOM 0 HG22 ILE A 88 -5.031 2.176 -3.457 1.00 5.21 H new ATOM 0 HG23 ILE A 88 -5.863 1.063 -2.345 1.00 5.21 H new ATOM 0 HD11 ILE A 88 -2.733 -2.127 -1.660 1.00 24.32 H new ATOM 0 HD12 ILE A 88 -2.126 -1.283 -3.104 1.00 24.32 H new ATOM 0 HD13 ILE A 88 -2.597 -0.352 -1.663 1.00 24.32 H new ATOM 1421 N HIS A 89 -4.964 1.310 -6.587 1.00 41.13 N ATOM 1422 CA HIS A 89 -5.110 2.488 -7.436 1.00 42.13 C ATOM 1423 C HIS A 89 -6.255 2.302 -8.427 1.00 44.13 C ATOM 1424 O HIS A 89 -6.867 3.311 -8.779 1.00 22.23 O ATOM 1425 CB HIS A 89 -3.808 2.765 -8.189 1.00 5.30 C ATOM 1426 CG HIS A 89 -2.619 2.920 -7.291 1.00 74.11 C ATOM 1427 ND1 HIS A 89 -2.704 3.414 -6.007 1.00 62.51 N ATOM 1428 CD2 HIS A 89 -1.311 2.642 -7.500 1.00 74.34 C ATOM 1429 CE1 HIS A 89 -1.500 3.433 -5.464 1.00 14.01 C ATOM 1430 NE2 HIS A 89 -0.637 2.969 -6.349 1.00 11.12 N ATOM 0 H HIS A 89 -4.193 0.695 -6.848 1.00 41.13 H new ATOM 0 HA HIS A 89 -5.339 3.341 -6.797 1.00 42.13 H new ATOM 0 HB2 HIS A 89 -3.621 1.950 -8.888 1.00 5.30 H new ATOM 0 HB3 HIS A 89 -3.926 3.672 -8.782 1.00 5.30 H new ATOM 0 HD2 HIS A 89 -0.878 2.238 -8.403 1.00 74.34 H new ATOM 0 HE1 HIS A 89 -1.262 3.771 -4.466 1.00 14.01 H new ATOM 0 HE2 HIS A 89 0.367 2.870 -6.202 1.00 11.12 H new ATOM 1438 N ALA A 90 -6.550 1.085 -8.871 1.00 43.31 N ATOM 1439 CA ALA A 90 -7.637 0.860 -9.816 1.00 33.35 C ATOM 1440 C ALA A 90 -8.968 0.685 -9.093 1.00 73.31 C ATOM 1441 O ALA A 90 -9.974 0.329 -9.705 1.00 74.42 O ATOM 1442 CB ALA A 90 -7.340 -0.358 -10.680 1.00 30.21 C ATOM 0 H ALA A 90 -6.052 0.240 -8.592 1.00 43.31 H new ATOM 0 HA ALA A 90 -7.715 1.738 -10.457 1.00 33.35 H new ATOM 0 HB1 ALA A 90 -8.159 -0.515 -11.381 1.00 30.21 H new ATOM 0 HB2 ALA A 90 -6.415 -0.195 -11.233 1.00 30.21 H new ATOM 0 HB3 ALA A 90 -7.233 -1.237 -10.045 1.00 30.21 H new ATOM 1448 N GLU A 91 -8.963 0.939 -7.788 1.00 24.34 N ATOM 1449 CA GLU A 91 -10.172 0.807 -6.982 1.00 11.30 C ATOM 1450 C GLU A 91 -10.646 -0.642 -6.944 1.00 24.25 C ATOM 1451 O GLU A 91 -11.792 -0.939 -7.282 1.00 0.03 O ATOM 1452 CB GLU A 91 -11.281 1.705 -7.535 1.00 75.22 C ATOM 1453 CG GLU A 91 -12.222 2.237 -6.468 1.00 51.33 C ATOM 1454 CD GLU A 91 -11.592 3.332 -5.628 1.00 73.13 C ATOM 1455 OE1 GLU A 91 -11.510 4.479 -6.112 1.00 10.52 O ATOM 1456 OE2 GLU A 91 -11.182 3.040 -4.485 1.00 21.43 O ATOM 0 H GLU A 91 -8.138 1.237 -7.267 1.00 24.34 H new ATOM 0 HA GLU A 91 -9.935 1.119 -5.965 1.00 11.30 H new ATOM 0 HB2 GLU A 91 -10.828 2.546 -8.060 1.00 75.22 H new ATOM 0 HB3 GLU A 91 -11.858 1.144 -8.270 1.00 75.22 H new ATOM 0 HG2 GLU A 91 -13.124 2.622 -6.944 1.00 51.33 H new ATOM 0 HG3 GLU A 91 -12.530 1.417 -5.819 1.00 51.33 H new ATOM 1463 N GLU A 92 -9.757 -1.540 -6.533 1.00 31.40 N ATOM 1464 CA GLU A 92 -10.085 -2.958 -6.453 1.00 32.30 C ATOM 1465 C GLU A 92 -9.856 -3.492 -5.042 1.00 42.12 C ATOM 1466 O GLU A 92 -8.770 -3.349 -4.480 1.00 44.54 O ATOM 1467 CB GLU A 92 -9.246 -3.756 -7.454 1.00 35.42 C ATOM 1468 CG GLU A 92 -9.854 -3.820 -8.844 1.00 2.22 C ATOM 1469 CD GLU A 92 -11.101 -4.681 -8.896 1.00 1.44 C ATOM 1470 OE1 GLU A 92 -11.531 -5.168 -7.830 1.00 62.21 O ATOM 1471 OE2 GLU A 92 -11.648 -4.866 -10.004 1.00 72.01 O ATOM 0 H GLU A 92 -8.804 -1.311 -6.250 1.00 31.40 H new ATOM 0 HA GLU A 92 -11.140 -3.074 -6.700 1.00 32.30 H new ATOM 0 HB2 GLU A 92 -8.254 -3.309 -7.521 1.00 35.42 H new ATOM 0 HB3 GLU A 92 -9.114 -4.770 -7.077 1.00 35.42 H new ATOM 0 HG2 GLU A 92 -10.099 -2.811 -9.176 1.00 2.22 H new ATOM 0 HG3 GLU A 92 -9.115 -4.214 -9.542 1.00 2.22 H new ATOM 1478 N LYS A 93 -10.887 -4.107 -4.474 1.00 24.22 N ATOM 1479 CA LYS A 93 -10.801 -4.663 -3.128 1.00 22.14 C ATOM 1480 C LYS A 93 -10.184 -6.057 -3.155 1.00 21.43 C ATOM 1481 O LYS A 93 -10.691 -6.960 -3.821 1.00 61.40 O ATOM 1482 CB LYS A 93 -12.190 -4.721 -2.489 1.00 70.33 C ATOM 1483 CG LYS A 93 -12.504 -3.524 -1.608 1.00 41.53 C ATOM 1484 CD LYS A 93 -12.980 -2.337 -2.428 1.00 34.03 C ATOM 1485 CE LYS A 93 -14.437 -2.489 -2.835 1.00 45.43 C ATOM 1486 NZ LYS A 93 -14.915 -1.326 -3.633 1.00 22.12 N ATOM 0 H LYS A 93 -11.793 -4.233 -4.925 1.00 24.22 H new ATOM 0 HA LYS A 93 -10.161 -4.012 -2.532 1.00 22.14 H new ATOM 0 HB2 LYS A 93 -12.941 -4.789 -3.276 1.00 70.33 H new ATOM 0 HB3 LYS A 93 -12.269 -5.631 -1.894 1.00 70.33 H new ATOM 0 HG2 LYS A 93 -13.270 -3.796 -0.882 1.00 41.53 H new ATOM 0 HG3 LYS A 93 -11.615 -3.244 -1.043 1.00 41.53 H new ATOM 0 HD2 LYS A 93 -12.856 -1.421 -1.850 1.00 34.03 H new ATOM 0 HD3 LYS A 93 -12.361 -2.237 -3.319 1.00 34.03 H new ATOM 0 HE2 LYS A 93 -14.558 -3.403 -3.417 1.00 45.43 H new ATOM 0 HE3 LYS A 93 -15.054 -2.595 -1.943 1.00 45.43 H new ATOM 0 HZ1 LYS A 93 -15.912 -1.468 -3.891 1.00 22.12 H new ATOM 0 HZ2 LYS A 93 -14.824 -0.457 -3.069 1.00 22.12 H new ATOM 0 HZ3 LYS A 93 -14.343 -1.239 -4.497 1.00 22.12 H new ATOM 1500 N VAL A 94 -9.087 -6.228 -2.425 1.00 75.23 N ATOM 1501 CA VAL A 94 -8.402 -7.514 -2.362 1.00 53.40 C ATOM 1502 C VAL A 94 -8.045 -7.877 -0.925 1.00 71.02 C ATOM 1503 O VAL A 94 -7.628 -7.024 -0.142 1.00 53.13 O ATOM 1504 CB VAL A 94 -7.117 -7.507 -3.211 1.00 31.25 C ATOM 1505 CG1 VAL A 94 -7.455 -7.397 -4.691 1.00 65.33 C ATOM 1506 CG2 VAL A 94 -6.200 -6.372 -2.781 1.00 75.34 C ATOM 0 H VAL A 94 -8.653 -5.492 -1.868 1.00 75.23 H new ATOM 0 HA VAL A 94 -9.090 -8.259 -2.762 1.00 53.40 H new ATOM 0 HB VAL A 94 -6.592 -8.449 -3.051 1.00 31.25 H new ATOM 0 HG11 VAL A 94 -6.535 -7.394 -5.275 1.00 65.33 H new ATOM 0 HG12 VAL A 94 -8.070 -8.247 -4.988 1.00 65.33 H new ATOM 0 HG13 VAL A 94 -8.003 -6.472 -4.871 1.00 65.33 H new ATOM 0 HG21 VAL A 94 -5.297 -6.382 -3.392 1.00 75.34 H new ATOM 0 HG22 VAL A 94 -6.714 -5.420 -2.910 1.00 75.34 H new ATOM 0 HG23 VAL A 94 -5.930 -6.499 -1.733 1.00 75.34 H new ATOM 1516 N LYS A 95 -8.211 -9.150 -0.583 1.00 21.54 N ATOM 1517 CA LYS A 95 -7.906 -9.630 0.759 1.00 73.01 C ATOM 1518 C LYS A 95 -6.491 -10.198 0.826 1.00 24.34 C ATOM 1519 O LYS A 95 -5.855 -10.184 1.880 1.00 3.45 O ATOM 1520 CB LYS A 95 -8.916 -10.698 1.184 1.00 1.52 C ATOM 1521 CG LYS A 95 -8.782 -12.002 0.416 1.00 1.51 C ATOM 1522 CD LYS A 95 -10.135 -12.657 0.191 1.00 73.43 C ATOM 1523 CE LYS A 95 -10.427 -13.708 1.251 1.00 65.22 C ATOM 1524 NZ LYS A 95 -11.189 -14.860 0.694 1.00 34.31 N ATOM 0 H LYS A 95 -8.556 -9.869 -1.219 1.00 21.54 H new ATOM 0 HA LYS A 95 -7.972 -8.784 1.443 1.00 73.01 H new ATOM 0 HB2 LYS A 95 -8.794 -10.899 2.248 1.00 1.52 H new ATOM 0 HB3 LYS A 95 -9.924 -10.307 1.047 1.00 1.52 H new ATOM 0 HG2 LYS A 95 -8.304 -11.812 -0.545 1.00 1.51 H new ATOM 0 HG3 LYS A 95 -8.133 -12.684 0.965 1.00 1.51 H new ATOM 0 HD2 LYS A 95 -10.916 -11.897 0.206 1.00 73.43 H new ATOM 0 HD3 LYS A 95 -10.158 -13.118 -0.796 1.00 73.43 H new ATOM 0 HE2 LYS A 95 -9.489 -14.065 1.677 1.00 65.22 H new ATOM 0 HE3 LYS A 95 -10.995 -13.256 2.064 1.00 65.22 H new ATOM 0 HZ1 LYS A 95 -11.368 -15.554 1.447 1.00 34.31 H new ATOM 0 HZ2 LYS A 95 -12.095 -14.524 0.310 1.00 34.31 H new ATOM 0 HZ3 LYS A 95 -10.636 -15.307 -0.065 1.00 34.31 H new ATOM 1538 N ASP A 96 -6.005 -10.695 -0.307 1.00 64.14 N ATOM 1539 CA ASP A 96 -4.665 -11.265 -0.378 1.00 72.42 C ATOM 1540 C ASP A 96 -4.000 -10.928 -1.708 1.00 14.32 C ATOM 1541 O ASP A 96 -4.559 -10.197 -2.526 1.00 2.22 O ATOM 1542 CB ASP A 96 -4.723 -12.783 -0.192 1.00 3.44 C ATOM 1543 CG ASP A 96 -5.595 -13.460 -1.233 1.00 74.14 C ATOM 1544 OD1 ASP A 96 -5.144 -13.593 -2.389 1.00 1.33 O ATOM 1545 OD2 ASP A 96 -6.727 -13.857 -0.888 1.00 21.42 O ATOM 0 H ASP A 96 -6.519 -10.714 -1.188 1.00 64.14 H new ATOM 0 HA ASP A 96 -4.069 -10.831 0.425 1.00 72.42 H new ATOM 0 HB2 ASP A 96 -3.714 -13.192 -0.246 1.00 3.44 H new ATOM 0 HB3 ASP A 96 -5.106 -13.010 0.803 1.00 3.44 H new ATOM 1550 N THR A 97 -2.802 -11.465 -1.919 1.00 42.42 N ATOM 1551 CA THR A 97 -2.060 -11.219 -3.148 1.00 13.44 C ATOM 1552 C THR A 97 -2.609 -12.054 -4.299 1.00 62.14 C ATOM 1553 O THR A 97 -2.724 -11.575 -5.426 1.00 14.41 O ATOM 1554 CB THR A 97 -0.561 -11.530 -2.972 1.00 23.13 C ATOM 1555 OG1 THR A 97 -0.038 -10.805 -1.855 1.00 0.51 O ATOM 1556 CG2 THR A 97 0.218 -11.170 -4.228 1.00 43.04 C ATOM 0 H THR A 97 -2.325 -12.073 -1.253 1.00 42.42 H new ATOM 0 HA THR A 97 -2.179 -10.161 -3.382 1.00 13.44 H new ATOM 0 HB THR A 97 -0.453 -12.600 -2.792 1.00 23.13 H new ATOM 0 HG1 THR A 97 0.553 -10.092 -2.176 1.00 0.51 H new ATOM 0 HG21 THR A 97 1.273 -11.398 -4.080 1.00 43.04 H new ATOM 0 HG22 THR A 97 -0.163 -11.747 -5.070 1.00 43.04 H new ATOM 0 HG23 THR A 97 0.103 -10.106 -4.435 1.00 43.04 H new ATOM 1564 N GLU A 98 -2.949 -13.306 -4.006 1.00 41.22 N ATOM 1565 CA GLU A 98 -3.487 -14.208 -5.018 1.00 51.13 C ATOM 1566 C GLU A 98 -4.686 -13.580 -5.723 1.00 35.43 C ATOM 1567 O GLU A 98 -4.948 -13.860 -6.892 1.00 22.05 O ATOM 1568 CB GLU A 98 -3.894 -15.538 -4.382 1.00 21.43 C ATOM 1569 CG GLU A 98 -3.095 -16.727 -4.892 1.00 4.43 C ATOM 1570 CD GLU A 98 -3.563 -17.201 -6.255 1.00 51.31 C ATOM 1571 OE1 GLU A 98 -4.786 -17.177 -6.505 1.00 72.45 O ATOM 1572 OE2 GLU A 98 -2.704 -17.596 -7.072 1.00 65.23 O ATOM 0 H GLU A 98 -2.861 -13.718 -3.077 1.00 41.22 H new ATOM 0 HA GLU A 98 -2.707 -14.391 -5.757 1.00 51.13 H new ATOM 0 HB2 GLU A 98 -3.773 -15.466 -3.301 1.00 21.43 H new ATOM 0 HB3 GLU A 98 -4.953 -15.714 -4.573 1.00 21.43 H new ATOM 0 HG2 GLU A 98 -2.041 -16.455 -4.948 1.00 4.43 H new ATOM 0 HG3 GLU A 98 -3.175 -17.547 -4.179 1.00 4.43 H new ATOM 1579 N GLY A 99 -5.411 -12.731 -5.003 1.00 22.00 N ATOM 1580 CA GLY A 99 -6.575 -12.078 -5.575 1.00 54.55 C ATOM 1581 C GLY A 99 -6.203 -10.912 -6.469 1.00 10.51 C ATOM 1582 O GLY A 99 -6.763 -10.749 -7.553 1.00 60.23 O ATOM 0 H GLY A 99 -5.214 -12.483 -4.033 1.00 22.00 H new ATOM 0 HA2 GLY A 99 -7.150 -12.804 -6.150 1.00 54.55 H new ATOM 0 HA3 GLY A 99 -7.221 -11.724 -4.772 1.00 54.55 H new ATOM 1586 N ALA A 100 -5.257 -10.096 -6.014 1.00 32.35 N ATOM 1587 CA ALA A 100 -4.812 -8.940 -6.782 1.00 75.35 C ATOM 1588 C ALA A 100 -4.249 -9.362 -8.134 1.00 25.02 C ATOM 1589 O ALA A 100 -4.386 -8.645 -9.127 1.00 50.25 O ATOM 1590 CB ALA A 100 -3.770 -8.156 -5.996 1.00 5.32 C ATOM 0 H ALA A 100 -4.785 -10.215 -5.118 1.00 32.35 H new ATOM 0 HA ALA A 100 -5.675 -8.300 -6.962 1.00 75.35 H new ATOM 0 HB1 ALA A 100 -3.445 -7.295 -6.580 1.00 5.32 H new ATOM 0 HB2 ALA A 100 -4.204 -7.814 -5.056 1.00 5.32 H new ATOM 0 HB3 ALA A 100 -2.913 -8.797 -5.788 1.00 5.32 H new ATOM 1596 N LYS A 101 -3.616 -10.529 -8.169 1.00 24.53 N ATOM 1597 CA LYS A 101 -3.033 -11.048 -9.401 1.00 73.33 C ATOM 1598 C LYS A 101 -4.117 -11.562 -10.341 1.00 24.11 C ATOM 1599 O LYS A 101 -3.985 -11.475 -11.562 1.00 4.30 O ATOM 1600 CB LYS A 101 -2.041 -12.171 -9.087 1.00 42.21 C ATOM 1601 CG LYS A 101 -0.704 -12.015 -9.790 1.00 44.21 C ATOM 1602 CD LYS A 101 0.003 -13.351 -9.945 1.00 63.55 C ATOM 1603 CE LYS A 101 0.752 -13.736 -8.677 1.00 30.02 C ATOM 1604 NZ LYS A 101 0.326 -15.067 -8.164 1.00 21.11 N ATOM 0 H LYS A 101 -3.493 -11.134 -7.357 1.00 24.53 H new ATOM 0 HA LYS A 101 -2.505 -10.232 -9.895 1.00 73.33 H new ATOM 0 HB2 LYS A 101 -1.874 -12.207 -8.010 1.00 42.21 H new ATOM 0 HB3 LYS A 101 -2.483 -13.125 -9.373 1.00 42.21 H new ATOM 0 HG2 LYS A 101 -0.858 -11.568 -10.772 1.00 44.21 H new ATOM 0 HG3 LYS A 101 -0.072 -11.331 -9.224 1.00 44.21 H new ATOM 0 HD2 LYS A 101 -0.726 -14.124 -10.187 1.00 63.55 H new ATOM 0 HD3 LYS A 101 0.702 -13.299 -10.780 1.00 63.55 H new ATOM 0 HE2 LYS A 101 1.823 -13.750 -8.878 1.00 30.02 H new ATOM 0 HE3 LYS A 101 0.581 -12.980 -7.911 1.00 30.02 H new ATOM 0 HZ1 LYS A 101 0.859 -15.293 -7.300 1.00 21.11 H new ATOM 0 HZ2 LYS A 101 -0.691 -15.046 -7.948 1.00 21.11 H new ATOM 0 HZ3 LYS A 101 0.512 -15.793 -8.885 1.00 21.11 H new ATOM 1618 N GLN A 102 -5.189 -12.097 -9.766 1.00 64.31 N ATOM 1619 CA GLN A 102 -6.297 -12.624 -10.555 1.00 63.44 C ATOM 1620 C GLN A 102 -7.102 -11.494 -11.187 1.00 54.35 C ATOM 1621 O GLN A 102 -7.501 -11.578 -12.348 1.00 0.23 O ATOM 1622 CB GLN A 102 -7.209 -13.486 -9.680 1.00 75.31 C ATOM 1623 CG GLN A 102 -8.064 -14.464 -10.470 1.00 35.31 C ATOM 1624 CD GLN A 102 -9.529 -14.396 -10.091 1.00 21.24 C ATOM 1625 OE1 GLN A 102 -10.405 -14.362 -10.955 1.00 2.45 O ATOM 1626 NE2 GLN A 102 -9.805 -14.378 -8.792 1.00 11.14 N ATOM 0 H GLN A 102 -5.314 -12.177 -8.757 1.00 64.31 H new ATOM 0 HA GLN A 102 -5.881 -13.240 -11.352 1.00 63.44 H new ATOM 0 HB2 GLN A 102 -6.597 -14.043 -8.970 1.00 75.31 H new ATOM 0 HB3 GLN A 102 -7.861 -12.835 -9.097 1.00 75.31 H new ATOM 0 HG2 GLN A 102 -7.958 -14.256 -11.535 1.00 35.31 H new ATOM 0 HG3 GLN A 102 -7.697 -15.477 -10.305 1.00 35.31 H new ATOM 0 HE21 GLN A 102 -9.048 -14.408 -8.109 1.00 11.14 H new ATOM 0 HE22 GLN A 102 -10.774 -14.335 -8.477 1.00 11.14 H new ATOM 1635 N ILE A 103 -7.336 -10.437 -10.416 1.00 43.12 N ATOM 1636 CA ILE A 103 -8.092 -9.289 -10.901 1.00 33.33 C ATOM 1637 C ILE A 103 -7.399 -8.640 -12.095 1.00 62.21 C ATOM 1638 O ILE A 103 -8.008 -8.441 -13.146 1.00 24.40 O ATOM 1639 CB ILE A 103 -8.285 -8.233 -9.797 1.00 35.40 C ATOM 1640 CG1 ILE A 103 -9.090 -8.819 -8.635 1.00 3.24 C ATOM 1641 CG2 ILE A 103 -8.974 -6.999 -10.359 1.00 65.33 C ATOM 1642 CD1 ILE A 103 -9.105 -7.940 -7.405 1.00 14.33 C ATOM 0 H ILE A 103 -7.013 -10.352 -9.452 1.00 43.12 H new ATOM 0 HA ILE A 103 -9.069 -9.662 -11.209 1.00 33.33 H new ATOM 0 HB ILE A 103 -7.305 -7.938 -9.422 1.00 35.40 H new ATOM 0 HG12 ILE A 103 -10.116 -8.988 -8.963 1.00 3.24 H new ATOM 0 HG13 ILE A 103 -8.676 -9.792 -8.371 1.00 3.24 H new ATOM 0 HG21 ILE A 103 -9.103 -6.262 -9.567 1.00 65.33 H new ATOM 0 HG22 ILE A 103 -8.364 -6.573 -11.155 1.00 65.33 H new ATOM 0 HG23 ILE A 103 -9.949 -7.277 -10.759 1.00 65.33 H new ATOM 0 HD11 ILE A 103 -9.694 -8.419 -6.623 1.00 14.33 H new ATOM 0 HD12 ILE A 103 -8.085 -7.792 -7.051 1.00 14.33 H new ATOM 0 HD13 ILE A 103 -9.547 -6.975 -7.653 1.00 14.33 H new ATOM 1654 N VAL A 104 -6.123 -8.314 -11.925 1.00 15.53 N ATOM 1655 CA VAL A 104 -5.345 -7.689 -12.989 1.00 31.15 C ATOM 1656 C VAL A 104 -5.370 -8.536 -14.257 1.00 44.51 C ATOM 1657 O VAL A 104 -5.498 -8.010 -15.363 1.00 33.21 O ATOM 1658 CB VAL A 104 -3.882 -7.469 -12.561 1.00 21.53 C ATOM 1659 CG1 VAL A 104 -3.050 -6.976 -13.735 1.00 70.23 C ATOM 1660 CG2 VAL A 104 -3.809 -6.493 -11.397 1.00 42.40 C ATOM 0 H VAL A 104 -5.605 -8.472 -11.061 1.00 15.53 H new ATOM 0 HA VAL A 104 -5.805 -6.722 -13.191 1.00 31.15 H new ATOM 0 HB VAL A 104 -3.471 -8.423 -12.231 1.00 21.53 H new ATOM 0 HG11 VAL A 104 -2.019 -6.826 -13.413 1.00 70.23 H new ATOM 0 HG12 VAL A 104 -3.076 -7.715 -14.536 1.00 70.23 H new ATOM 0 HG13 VAL A 104 -3.457 -6.033 -14.099 1.00 70.23 H new ATOM 0 HG21 VAL A 104 -2.768 -6.349 -11.107 1.00 42.40 H new ATOM 0 HG22 VAL A 104 -4.238 -5.537 -11.697 1.00 42.40 H new ATOM 0 HG23 VAL A 104 -4.369 -6.893 -10.551 1.00 42.40 H new ATOM 1670 N ARG A 105 -5.249 -9.848 -14.088 1.00 23.14 N ATOM 1671 CA ARG A 105 -5.258 -10.768 -15.219 1.00 1.43 C ATOM 1672 C ARG A 105 -6.639 -10.821 -15.867 1.00 13.22 C ATOM 1673 O ARG A 105 -6.780 -10.607 -17.070 1.00 15.04 O ATOM 1674 CB ARG A 105 -4.839 -12.169 -14.769 1.00 41.43 C ATOM 1675 CG ARG A 105 -4.193 -12.995 -15.869 1.00 64.21 C ATOM 1676 CD ARG A 105 -2.695 -12.744 -15.946 1.00 21.02 C ATOM 1677 NE ARG A 105 -2.349 -11.823 -17.025 1.00 24.24 N ATOM 1678 CZ ARG A 105 -2.444 -12.132 -18.313 1.00 25.14 C ATOM 1679 NH1 ARG A 105 -2.875 -13.332 -18.681 1.00 54.51 N ATOM 1680 NH2 ARG A 105 -2.111 -11.240 -19.238 1.00 41.32 N ATOM 0 H ARG A 105 -5.144 -10.298 -13.179 1.00 23.14 H new ATOM 0 HA ARG A 105 -4.544 -10.403 -15.957 1.00 1.43 H new ATOM 0 HB2 ARG A 105 -4.142 -12.080 -13.936 1.00 41.43 H new ATOM 0 HB3 ARG A 105 -5.716 -12.699 -14.396 1.00 41.43 H new ATOM 0 HG2 ARG A 105 -4.377 -14.054 -15.686 1.00 64.21 H new ATOM 0 HG3 ARG A 105 -4.654 -12.752 -16.827 1.00 64.21 H new ATOM 0 HD2 ARG A 105 -2.346 -12.337 -14.997 1.00 21.02 H new ATOM 0 HD3 ARG A 105 -2.176 -13.691 -16.097 1.00 21.02 H new ATOM 0 HE ARG A 105 -2.016 -10.892 -16.776 1.00 24.24 H new ATOM 0 HH11 ARG A 105 -3.134 -14.020 -17.974 1.00 54.51 H new ATOM 0 HH12 ARG A 105 -2.947 -13.567 -19.671 1.00 54.51 H new ATOM 0 HH21 ARG A 105 -1.782 -10.316 -18.960 1.00 41.32 H new ATOM 0 HH22 ARG A 105 -2.185 -11.479 -20.227 1.00 41.32 H new ATOM 1694 N ARG A 106 -7.654 -11.109 -15.059 1.00 40.34 N ATOM 1695 CA ARG A 106 -9.023 -11.192 -15.553 1.00 31.14 C ATOM 1696 C ARG A 106 -9.424 -9.903 -16.263 1.00 41.41 C ATOM 1697 O ARG A 106 -10.296 -9.906 -17.133 1.00 64.13 O ATOM 1698 CB ARG A 106 -9.988 -11.474 -14.399 1.00 13.42 C ATOM 1699 CG ARG A 106 -10.478 -12.912 -14.352 1.00 11.34 C ATOM 1700 CD ARG A 106 -11.877 -13.004 -13.762 1.00 35.24 C ATOM 1701 NE ARG A 106 -11.934 -12.471 -12.404 1.00 4.12 N ATOM 1702 CZ ARG A 106 -12.915 -12.740 -11.550 1.00 24.15 C ATOM 1703 NH1 ARG A 106 -13.915 -13.533 -11.912 1.00 51.54 N ATOM 1704 NH2 ARG A 106 -12.898 -12.217 -10.331 1.00 34.23 N ATOM 0 H ARG A 106 -7.554 -11.289 -14.060 1.00 40.34 H new ATOM 0 HA ARG A 106 -9.075 -12.012 -16.270 1.00 31.14 H new ATOM 0 HB2 ARG A 106 -9.494 -11.237 -13.457 1.00 13.42 H new ATOM 0 HB3 ARG A 106 -10.847 -10.809 -14.484 1.00 13.42 H new ATOM 0 HG2 ARG A 106 -10.478 -13.331 -15.358 1.00 11.34 H new ATOM 0 HG3 ARG A 106 -9.790 -13.513 -13.757 1.00 11.34 H new ATOM 0 HD2 ARG A 106 -12.575 -12.457 -14.396 1.00 35.24 H new ATOM 0 HD3 ARG A 106 -12.201 -14.045 -13.757 1.00 35.24 H new ATOM 0 HE ARG A 106 -11.179 -11.859 -12.094 1.00 4.12 H new ATOM 0 HH11 ARG A 106 -13.932 -13.938 -12.848 1.00 51.54 H new ATOM 0 HH12 ARG A 106 -14.667 -13.738 -11.254 1.00 51.54 H new ATOM 0 HH21 ARG A 106 -12.131 -11.607 -10.048 1.00 34.23 H new ATOM 0 HH22 ARG A 106 -13.652 -12.425 -9.676 1.00 34.23 H new ATOM 1718 N HIS A 107 -8.784 -8.801 -15.885 1.00 12.01 N ATOM 1719 CA HIS A 107 -9.073 -7.503 -16.486 1.00 73.53 C ATOM 1720 C HIS A 107 -8.455 -7.400 -17.877 1.00 11.31 C ATOM 1721 O HIS A 107 -8.960 -6.597 -18.663 1.00 25.51 O ATOM 1722 CB HIS A 107 -8.546 -6.377 -15.596 1.00 43.12 C ATOM 1723 CG HIS A 107 -9.546 -5.890 -14.591 1.00 74.32 C ATOM 1724 ND1 HIS A 107 -10.837 -5.542 -14.923 1.00 63.04 N ATOM 1725 CD2 HIS A 107 -9.436 -5.696 -13.256 1.00 31.55 C ATOM 1726 CE1 HIS A 107 -11.480 -5.154 -13.835 1.00 72.15 C ATOM 1727 NE2 HIS A 107 -10.651 -5.239 -12.809 1.00 33.45 N ATOM 0 H HIS A 107 -8.062 -8.781 -15.165 1.00 12.01 H new ATOM 0 HA HIS A 107 -10.155 -7.405 -16.580 1.00 73.53 H new ATOM 0 HB2 HIS A 107 -7.656 -6.726 -15.072 1.00 43.12 H new ATOM 0 HB3 HIS A 107 -8.239 -5.541 -16.225 1.00 43.12 H new ATOM 0 HD2 HIS A 107 -8.556 -5.869 -12.654 1.00 31.55 H new ATOM 0 HE1 HIS A 107 -12.507 -4.824 -13.792 1.00 72.15 H new ATOM 0 HE2 HIS A 107 -10.877 -5.003 -11.843 1.00 33.45 H new ATOM 1735 N LEU A 108 -7.412 -8.159 -18.191 1.00 22.42 N ATOM 1736 CA LEU A 108 -6.787 -8.095 -19.508 1.00 71.22 C ATOM 1737 C LEU A 108 -7.289 -9.223 -20.404 1.00 1.14 C ATOM 1738 O LEU A 108 -7.618 -9.004 -21.571 1.00 73.04 O ATOM 1739 CB LEU A 108 -5.265 -8.172 -19.376 1.00 21.03 C ATOM 1740 CG LEU A 108 -4.610 -7.087 -18.521 1.00 1.25 C ATOM 1741 CD1 LEU A 108 -3.319 -7.601 -17.904 1.00 72.44 C ATOM 1742 CD2 LEU A 108 -4.346 -5.839 -19.352 1.00 63.14 C ATOM 0 H LEU A 108 -6.980 -8.827 -17.552 1.00 22.42 H new ATOM 0 HA LEU A 108 -7.058 -7.144 -19.966 1.00 71.22 H new ATOM 0 HB2 LEU A 108 -5.005 -9.144 -18.956 1.00 21.03 H new ATOM 0 HB3 LEU A 108 -4.831 -8.131 -20.375 1.00 21.03 H new ATOM 0 HG LEU A 108 -5.295 -6.824 -17.715 1.00 1.25 H new ATOM 0 HD11 LEU A 108 -2.867 -6.815 -17.299 1.00 72.44 H new ATOM 0 HD12 LEU A 108 -3.535 -8.464 -17.275 1.00 72.44 H new ATOM 0 HD13 LEU A 108 -2.628 -7.892 -18.695 1.00 72.44 H new ATOM 0 HD21 LEU A 108 -3.880 -5.078 -18.727 1.00 63.14 H new ATOM 0 HD22 LEU A 108 -3.681 -6.087 -20.179 1.00 63.14 H new ATOM 0 HD23 LEU A 108 -5.288 -5.458 -19.746 1.00 63.14 H new