USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 628 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 108 ASN : amide:sc= 0.996 K(o=2.5,f=-8.8!) USER MOD Set 1.2: A 137 LYS NZ :NH3+ 139:sc= 1.2 (180deg=0) USER MOD Set 1.3: A 140 ASN : amide:sc= 0.303 X(o=2.5,f=2.2) USER MOD Set 2.1: A 104 CYS SG : rot -110:sc= -5.98! USER MOD Set 2.2: A 107 CYS SG : rot 123:sc= 1.84! USER MOD Set 2.3: A 120 HIS : no HE2:sc= -7.53! C(o=-13!,f=-30!) USER MOD Set 2.4: A 125 HIS : +bothHN:sc= -1.66! C(o=-13!,f=-24!) USER MOD Set 3.1: A 72 CYS SG : rot 121:sc= -1.55! USER MOD Set 3.2: A 75 CYS SG : rot -103:sc= -4.84! USER MOD Set 3.3: A 88 HIS : no HE2:sc= -2.39! C(o=-12!,f=-33!) USER MOD Set 3.4: A 93 HIS : no HE2:sc= -3.25! K(o=-12!,f=-17) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.95! C(o=-1.9!,f=-6.2!) USER MOD Single : A 79 THR OG1 : rot 160:sc= 0.00669 USER MOD Single : A 83 ASN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 84 MET CE :methyl -164:sc= -0.0527 (180deg=-0.406) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 27:sc= 0.177 USER MOD Single : A 101 SER OG : rot -49:sc= -1.05 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 90:sc= 0.00825 USER MOD Single : A 112 LYS NZ :NH3+ 168:sc= 1.8 (180deg=1.23) USER MOD Single : A 114 TYR OH : rot 24:sc= 0.575 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -3.84! C(o=-3.8!,f=-7.6!) USER MOD Single : A 123 LYS NZ :NH3+ 155:sc= 0.256 (180deg=0.0842) USER MOD Single : A 124 TYR OH : rot -148:sc= -1.17 USER MOD Single : A 130 ASN :FLIP amide:sc= -0.458 F(o=-3.4!,f=-0.46) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.0717 F(o=-0.7,f=-0.072) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.00614 USER MOD Single : A 146 GLN :FLIP amide:sc= -0.62 F(o=-1.2,f=-0.62) USER MOD Single : A 147 THR OG1 : rot -158:sc= -2.17! USER MOD Single : A 149 ASN :FLIP amide:sc= -2.39! C(o=-4.5!,f=-2.4!) USER MOD Single : A 152 THR OG1 : rot -62:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.917 5.463 -4.037 1.00 51.31 N ATOM 236 CA VAL A 66 -4.250 5.845 -2.801 1.00 60.44 C ATOM 237 C VAL A 66 -4.403 7.371 -2.546 1.00 74.54 C ATOM 238 O VAL A 66 -4.230 8.195 -3.457 1.00 74.11 O ATOM 239 CB VAL A 66 -2.725 5.417 -2.829 1.00 31.33 C ATOM 240 CG1 VAL A 66 -1.779 6.539 -3.231 1.00 51.41 C ATOM 241 CG2 VAL A 66 -2.287 4.794 -1.526 1.00 23.52 C ATOM 0 HA VAL A 66 -4.727 5.317 -1.975 1.00 60.44 H new ATOM 0 HB VAL A 66 -2.661 4.662 -3.612 1.00 31.33 H new ATOM 0 HG11 VAL A 66 -0.754 6.169 -3.227 1.00 51.41 H new ATOM 0 HG12 VAL A 66 -2.035 6.890 -4.231 1.00 51.41 H new ATOM 0 HG13 VAL A 66 -1.870 7.363 -2.523 1.00 51.41 H new ATOM 0 HG21 VAL A 66 -1.235 4.516 -1.591 1.00 23.52 H new ATOM 0 HG22 VAL A 66 -2.424 5.511 -0.716 1.00 23.52 H new ATOM 0 HG23 VAL A 66 -2.886 3.905 -1.329 1.00 23.52 H new ATOM 251 N GLU A 67 -4.831 7.726 -1.367 1.00 45.31 N ATOM 252 CA GLU A 67 -4.931 9.123 -1.008 1.00 75.43 C ATOM 253 C GLU A 67 -4.148 9.409 0.252 1.00 54.30 C ATOM 254 O GLU A 67 -3.236 10.226 0.247 1.00 23.12 O ATOM 255 CB GLU A 67 -6.387 9.581 -0.889 1.00 71.03 C ATOM 256 CG GLU A 67 -7.256 8.671 -0.054 1.00 13.42 C ATOM 257 CD GLU A 67 -8.640 9.221 0.139 1.00 52.12 C ATOM 258 OE1 GLU A 67 -9.355 9.417 -0.858 1.00 40.22 O ATOM 259 OE2 GLU A 67 -9.020 9.516 1.295 1.00 33.43 O ATOM 0 H GLU A 67 -5.117 7.074 -0.637 1.00 45.31 H new ATOM 0 HA GLU A 67 -4.488 9.705 -1.816 1.00 75.43 H new ATOM 0 HB2 GLU A 67 -6.407 10.581 -0.457 1.00 71.03 H new ATOM 0 HB3 GLU A 67 -6.815 9.657 -1.889 1.00 71.03 H new ATOM 0 HG2 GLU A 67 -7.320 7.694 -0.533 1.00 13.42 H new ATOM 0 HG3 GLU A 67 -6.789 8.519 0.919 1.00 13.42 H new ATOM 266 N GLY A 68 -4.451 8.692 1.303 1.00 10.24 N ATOM 267 CA GLY A 68 -3.773 8.889 2.534 1.00 72.31 C ATOM 268 C GLY A 68 -3.970 7.724 3.432 1.00 14.24 C ATOM 269 O GLY A 68 -4.993 7.586 4.080 1.00 34.02 O ATOM 0 H GLY A 68 -5.168 7.966 1.319 1.00 10.24 H new ATOM 0 HA2 GLY A 68 -2.709 9.037 2.350 1.00 72.31 H new ATOM 0 HA3 GLY A 68 -4.141 9.794 3.017 1.00 72.31 H new ATOM 273 N GLY A 69 -3.036 6.867 3.409 1.00 2.33 N ATOM 274 CA GLY A 69 -3.061 5.717 4.233 1.00 1.22 C ATOM 275 C GLY A 69 -2.444 4.544 3.551 1.00 52.50 C ATOM 276 O GLY A 69 -1.667 4.706 2.616 1.00 44.41 O ATOM 0 H GLY A 69 -2.214 6.938 2.810 1.00 2.33 H new ATOM 0 HA2 GLY A 69 -2.528 5.922 5.161 1.00 1.22 H new ATOM 0 HA3 GLY A 69 -4.091 5.483 4.502 1.00 1.22 H new ATOM 280 N TYR A 70 -2.826 3.377 3.952 1.00 20.13 N ATOM 281 CA TYR A 70 -2.257 2.179 3.418 1.00 24.14 C ATOM 282 C TYR A 70 -3.283 1.466 2.589 1.00 30.21 C ATOM 283 O TYR A 70 -4.323 1.032 3.097 1.00 52.03 O ATOM 284 CB TYR A 70 -1.754 1.297 4.554 1.00 53.44 C ATOM 285 CG TYR A 70 -0.909 2.056 5.549 1.00 12.03 C ATOM 286 CD1 TYR A 70 0.243 2.715 5.149 1.00 72.22 C ATOM 287 CD2 TYR A 70 -1.302 2.171 6.873 1.00 51.44 C ATOM 288 CE1 TYR A 70 0.983 3.455 6.040 1.00 53.34 C ATOM 289 CE2 TYR A 70 -0.580 2.920 7.767 1.00 52.43 C ATOM 290 CZ TYR A 70 0.566 3.564 7.348 1.00 45.42 C ATOM 291 OH TYR A 70 1.295 4.336 8.234 1.00 52.03 O ATOM 0 H TYR A 70 -3.543 3.224 4.661 1.00 20.13 H new ATOM 0 HA TYR A 70 -1.408 2.423 2.779 1.00 24.14 H new ATOM 0 HB2 TYR A 70 -2.606 0.854 5.070 1.00 53.44 H new ATOM 0 HB3 TYR A 70 -1.170 0.475 4.140 1.00 53.44 H new ATOM 0 HD1 TYR A 70 0.564 2.646 4.120 1.00 72.22 H new ATOM 0 HD2 TYR A 70 -2.194 1.661 7.207 1.00 51.44 H new ATOM 0 HE1 TYR A 70 1.887 3.949 5.716 1.00 53.34 H new ATOM 0 HE2 TYR A 70 -0.907 3.005 8.793 1.00 52.43 H new ATOM 0 HH TYR A 70 0.869 4.311 9.116 1.00 52.03 H new ATOM 301 N GLU A 71 -3.033 1.434 1.312 1.00 10.23 N ATOM 302 CA GLU A 71 -3.874 0.752 0.375 1.00 21.44 C ATOM 303 C GLU A 71 -3.264 -0.591 0.088 1.00 71.51 C ATOM 304 O GLU A 71 -2.147 -0.655 -0.384 1.00 25.45 O ATOM 305 CB GLU A 71 -3.963 1.521 -0.941 1.00 73.42 C ATOM 306 CG GLU A 71 -4.701 0.736 -2.003 1.00 15.40 C ATOM 307 CD GLU A 71 -4.553 1.278 -3.388 1.00 21.31 C ATOM 308 OE1 GLU A 71 -3.445 1.715 -3.768 1.00 40.11 O ATOM 309 OE2 GLU A 71 -5.520 1.169 -4.162 1.00 21.41 O ATOM 0 H GLU A 71 -2.225 1.889 0.887 1.00 10.23 H new ATOM 0 HA GLU A 71 -4.873 0.660 0.801 1.00 21.44 H new ATOM 0 HB2 GLU A 71 -4.471 2.471 -0.773 1.00 73.42 H new ATOM 0 HB3 GLU A 71 -2.959 1.754 -1.294 1.00 73.42 H new ATOM 0 HG2 GLU A 71 -4.345 -0.294 -1.989 1.00 15.40 H new ATOM 0 HG3 GLU A 71 -5.760 0.710 -1.748 1.00 15.40 H new ATOM 316 N CYS A 72 -3.983 -1.638 0.380 1.00 35.34 N ATOM 317 CA CYS A 72 -3.508 -2.980 0.102 1.00 35.41 C ATOM 318 C CYS A 72 -3.417 -3.278 -1.404 1.00 3.40 C ATOM 319 O CYS A 72 -4.131 -2.699 -2.246 1.00 74.20 O ATOM 320 CB CYS A 72 -4.419 -4.036 0.697 1.00 61.31 C ATOM 321 SG CYS A 72 -4.776 -3.917 2.484 1.00 3.12 S ATOM 0 H CYS A 72 -4.906 -1.596 0.813 1.00 35.34 H new ATOM 0 HA CYS A 72 -2.516 -3.020 0.553 1.00 35.41 H new ATOM 0 HB2 CYS A 72 -5.367 -4.006 0.160 1.00 61.31 H new ATOM 0 HB3 CYS A 72 -3.975 -5.013 0.505 1.00 61.31 H new ATOM 0 HG CYS A 72 -6.059 -3.809 2.664 1.00 3.12 H new ATOM 326 N LYS A 73 -2.540 -4.184 -1.706 1.00 31.13 N ATOM 327 CA LYS A 73 -2.392 -4.762 -3.013 1.00 11.25 C ATOM 328 C LYS A 73 -3.628 -5.609 -3.370 1.00 5.23 C ATOM 329 O LYS A 73 -4.042 -5.673 -4.515 1.00 42.25 O ATOM 330 CB LYS A 73 -1.112 -5.636 -3.007 1.00 2.43 C ATOM 331 CG LYS A 73 -0.966 -6.603 -4.175 1.00 61.13 C ATOM 332 CD LYS A 73 -0.898 -5.888 -5.488 1.00 71.33 C ATOM 333 CE LYS A 73 -0.869 -6.875 -6.641 1.00 72.00 C ATOM 334 NZ LYS A 73 -0.756 -6.210 -7.949 1.00 12.33 N ATOM 0 H LYS A 73 -1.880 -4.558 -1.025 1.00 31.13 H new ATOM 0 HA LYS A 73 -2.304 -3.978 -3.765 1.00 11.25 H new ATOM 0 HB2 LYS A 73 -0.244 -4.977 -2.995 1.00 2.43 H new ATOM 0 HB3 LYS A 73 -1.090 -6.209 -2.080 1.00 2.43 H new ATOM 0 HG2 LYS A 73 -0.065 -7.201 -4.040 1.00 61.13 H new ATOM 0 HG3 LYS A 73 -1.809 -7.294 -4.181 1.00 61.13 H new ATOM 0 HD2 LYS A 73 -1.758 -5.227 -5.592 1.00 71.33 H new ATOM 0 HD3 LYS A 73 -0.008 -5.260 -5.519 1.00 71.33 H new ATOM 0 HE2 LYS A 73 -0.029 -7.557 -6.510 1.00 72.00 H new ATOM 0 HE3 LYS A 73 -1.776 -7.479 -6.621 1.00 72.00 H new ATOM 0 HZ1 LYS A 73 -0.740 -6.927 -8.703 1.00 12.33 H new ATOM 0 HZ2 LYS A 73 -1.570 -5.578 -8.089 1.00 12.33 H new ATOM 0 HZ3 LYS A 73 0.123 -5.654 -7.981 1.00 12.33 H new ATOM 348 N TYR A 74 -4.238 -6.192 -2.366 1.00 65.13 N ATOM 349 CA TYR A 74 -5.290 -7.161 -2.580 1.00 72.05 C ATOM 350 C TYR A 74 -6.673 -6.679 -2.143 1.00 12.22 C ATOM 351 O TYR A 74 -7.633 -7.446 -2.149 1.00 63.31 O ATOM 352 CB TYR A 74 -4.904 -8.523 -1.954 1.00 21.25 C ATOM 353 CG TYR A 74 -3.699 -8.458 -1.015 1.00 34.43 C ATOM 354 CD1 TYR A 74 -2.401 -8.605 -1.503 1.00 51.10 C ATOM 355 CD2 TYR A 74 -3.857 -8.242 0.332 1.00 64.10 C ATOM 356 CE1 TYR A 74 -1.309 -8.533 -0.663 1.00 23.20 C ATOM 357 CE2 TYR A 74 -2.772 -8.174 1.182 1.00 55.43 C ATOM 358 CZ TYR A 74 -1.502 -8.318 0.681 1.00 3.11 C ATOM 359 OH TYR A 74 -0.422 -8.242 1.529 1.00 65.23 O ATOM 0 H TYR A 74 -4.023 -6.012 -1.385 1.00 65.13 H new ATOM 0 HA TYR A 74 -5.382 -7.297 -3.658 1.00 72.05 H new ATOM 0 HB2 TYR A 74 -5.760 -8.913 -1.403 1.00 21.25 H new ATOM 0 HB3 TYR A 74 -4.690 -9.231 -2.754 1.00 21.25 H new ATOM 0 HD1 TYR A 74 -2.248 -8.778 -2.558 1.00 51.10 H new ATOM 0 HD2 TYR A 74 -4.852 -8.123 0.735 1.00 64.10 H new ATOM 0 HE1 TYR A 74 -0.310 -8.645 -1.058 1.00 23.20 H new ATOM 0 HE2 TYR A 74 -2.922 -8.008 2.239 1.00 55.43 H new ATOM 0 HH TYR A 74 -0.735 -8.085 2.444 1.00 65.23 H new ATOM 369 N CYS A 75 -6.787 -5.419 -1.786 1.00 32.33 N ATOM 370 CA CYS A 75 -8.081 -4.848 -1.491 1.00 45.24 C ATOM 371 C CYS A 75 -8.048 -3.384 -1.857 1.00 11.25 C ATOM 372 O CYS A 75 -6.969 -2.788 -1.911 1.00 65.41 O ATOM 373 CB CYS A 75 -8.521 -5.092 -0.021 1.00 14.00 C ATOM 374 SG CYS A 75 -7.516 -4.298 1.305 1.00 21.15 S ATOM 0 H CYS A 75 -6.003 -4.773 -1.693 1.00 32.33 H new ATOM 0 HA CYS A 75 -8.842 -5.349 -2.090 1.00 45.24 H new ATOM 0 HB2 CYS A 75 -9.550 -4.749 0.084 1.00 14.00 H new ATOM 0 HB3 CYS A 75 -8.524 -6.167 0.156 1.00 14.00 H new ATOM 0 HG CYS A 75 -6.751 -5.189 1.862 1.00 21.15 H new ATOM 379 N THR A 76 -9.172 -2.812 -2.142 1.00 54.15 N ATOM 380 CA THR A 76 -9.222 -1.437 -2.565 1.00 61.24 C ATOM 381 C THR A 76 -9.593 -0.535 -1.374 1.00 53.34 C ATOM 382 O THR A 76 -9.740 0.673 -1.501 1.00 52.35 O ATOM 383 CB THR A 76 -10.228 -1.287 -3.727 1.00 34.42 C ATOM 384 OG1 THR A 76 -10.068 -2.417 -4.623 1.00 1.51 O ATOM 385 CG2 THR A 76 -9.944 -0.014 -4.524 1.00 20.02 C ATOM 0 H THR A 76 -10.080 -3.274 -2.091 1.00 54.15 H new ATOM 0 HA THR A 76 -8.241 -1.126 -2.925 1.00 61.24 H new ATOM 0 HB THR A 76 -11.236 -1.241 -3.316 1.00 34.42 H new ATOM 0 HG1 THR A 76 -10.702 -2.337 -5.366 1.00 1.51 H new ATOM 0 HG21 THR A 76 -10.663 0.074 -5.338 1.00 20.02 H new ATOM 0 HG22 THR A 76 -10.030 0.853 -3.869 1.00 20.02 H new ATOM 0 HG23 THR A 76 -8.935 -0.059 -4.934 1.00 20.02 H new ATOM 393 N PHE A 77 -9.711 -1.141 -0.216 1.00 64.34 N ATOM 394 CA PHE A 77 -10.014 -0.411 0.977 1.00 65.43 C ATOM 395 C PHE A 77 -8.730 -0.001 1.666 1.00 2.04 C ATOM 396 O PHE A 77 -7.864 -0.838 1.988 1.00 21.15 O ATOM 397 CB PHE A 77 -10.939 -1.207 1.901 1.00 23.22 C ATOM 398 CG PHE A 77 -12.293 -1.450 1.291 1.00 20.34 C ATOM 399 CD1 PHE A 77 -13.273 -0.469 1.340 1.00 73.21 C ATOM 400 CD2 PHE A 77 -12.580 -2.643 0.654 1.00 22.03 C ATOM 401 CE1 PHE A 77 -14.511 -0.678 0.768 1.00 73.31 C ATOM 402 CE2 PHE A 77 -13.817 -2.856 0.076 1.00 71.40 C ATOM 403 CZ PHE A 77 -14.784 -1.873 0.133 1.00 1.40 C ATOM 0 H PHE A 77 -9.599 -2.146 -0.082 1.00 64.34 H new ATOM 0 HA PHE A 77 -10.558 0.495 0.708 1.00 65.43 H new ATOM 0 HB2 PHE A 77 -10.474 -2.164 2.139 1.00 23.22 H new ATOM 0 HB3 PHE A 77 -11.059 -0.669 2.841 1.00 23.22 H new ATOM 0 HD1 PHE A 77 -13.064 0.470 1.832 1.00 73.21 H new ATOM 0 HD2 PHE A 77 -11.829 -3.417 0.608 1.00 22.03 H new ATOM 0 HE1 PHE A 77 -15.266 0.093 0.817 1.00 73.31 H new ATOM 0 HE2 PHE A 77 -14.027 -3.792 -0.420 1.00 71.40 H new ATOM 0 HZ PHE A 77 -15.751 -2.038 -0.318 1.00 1.40 H new ATOM 413 N GLN A 78 -8.602 1.276 1.860 1.00 34.43 N ATOM 414 CA GLN A 78 -7.434 1.868 2.437 1.00 42.20 C ATOM 415 C GLN A 78 -7.712 2.384 3.824 1.00 55.11 C ATOM 416 O GLN A 78 -8.792 2.908 4.094 1.00 54.11 O ATOM 417 CB GLN A 78 -6.931 3.010 1.534 1.00 40.52 C ATOM 418 CG GLN A 78 -6.026 4.010 2.233 1.00 53.42 C ATOM 419 CD GLN A 78 -5.364 4.970 1.298 1.00 31.44 C ATOM 420 OE1 GLN A 78 -5.884 6.020 0.959 1.00 22.32 O ATOM 421 NE2 GLN A 78 -4.187 4.650 0.948 1.00 25.45 N ATOM 0 H GLN A 78 -9.325 1.952 1.615 1.00 34.43 H new ATOM 0 HA GLN A 78 -6.663 1.101 2.515 1.00 42.20 H new ATOM 0 HB2 GLN A 78 -6.393 2.579 0.690 1.00 40.52 H new ATOM 0 HB3 GLN A 78 -7.792 3.540 1.126 1.00 40.52 H new ATOM 0 HG2 GLN A 78 -6.612 4.570 2.962 1.00 53.42 H new ATOM 0 HG3 GLN A 78 -5.260 3.469 2.788 1.00 53.42 H new ATOM 0 HE21 GLN A 78 -3.788 3.762 1.253 1.00 25.45 H new ATOM 0 HE22 GLN A 78 -3.640 5.281 0.362 1.00 25.45 H new ATOM 430 N THR A 79 -6.747 2.222 4.686 1.00 54.24 N ATOM 431 CA THR A 79 -6.810 2.760 5.999 1.00 44.42 C ATOM 432 C THR A 79 -5.427 3.296 6.360 1.00 10.14 C ATOM 433 O THR A 79 -4.420 2.654 6.091 1.00 21.13 O ATOM 434 CB THR A 79 -7.306 1.722 7.058 1.00 52.44 C ATOM 435 OG1 THR A 79 -7.406 2.340 8.348 1.00 31.11 O ATOM 436 CG2 THR A 79 -6.364 0.531 7.160 1.00 41.31 C ATOM 0 H THR A 79 -5.890 1.706 4.486 1.00 54.24 H new ATOM 0 HA THR A 79 -7.546 3.564 6.011 1.00 44.42 H new ATOM 0 HB THR A 79 -8.284 1.369 6.731 1.00 52.44 H new ATOM 0 HG1 THR A 79 -8.001 1.810 8.919 1.00 31.11 H new ATOM 0 HG21 THR A 79 -6.742 -0.169 7.906 1.00 41.31 H new ATOM 0 HG22 THR A 79 -6.302 0.032 6.193 1.00 41.31 H new ATOM 0 HG23 THR A 79 -5.373 0.875 7.455 1.00 41.31 H new ATOM 444 N PRO A 80 -5.350 4.531 6.828 1.00 54.34 N ATOM 445 CA PRO A 80 -4.103 5.127 7.311 1.00 2.13 C ATOM 446 C PRO A 80 -3.679 4.589 8.668 1.00 45.34 C ATOM 447 O PRO A 80 -2.641 4.979 9.202 1.00 20.54 O ATOM 448 CB PRO A 80 -4.430 6.613 7.403 1.00 24.24 C ATOM 449 CG PRO A 80 -5.898 6.656 7.588 1.00 23.54 C ATOM 450 CD PRO A 80 -6.447 5.505 6.809 1.00 20.54 C ATOM 0 HA PRO A 80 -3.267 4.900 6.649 1.00 2.13 H new ATOM 0 HB2 PRO A 80 -3.910 7.083 8.238 1.00 24.24 H new ATOM 0 HB3 PRO A 80 -4.128 7.143 6.500 1.00 24.24 H new ATOM 0 HG2 PRO A 80 -6.161 6.574 8.643 1.00 23.54 H new ATOM 0 HG3 PRO A 80 -6.309 7.600 7.230 1.00 23.54 H new ATOM 0 HD2 PRO A 80 -7.350 5.103 7.268 1.00 20.54 H new ATOM 0 HD3 PRO A 80 -6.709 5.796 5.792 1.00 20.54 H new ATOM 458 N ASP A 81 -4.468 3.710 9.221 1.00 20.21 N ATOM 459 CA ASP A 81 -4.145 3.132 10.488 1.00 25.13 C ATOM 460 C ASP A 81 -3.386 1.889 10.233 1.00 3.44 C ATOM 461 O ASP A 81 -3.908 0.991 9.593 1.00 60.01 O ATOM 462 CB ASP A 81 -5.379 2.731 11.213 1.00 1.32 C ATOM 463 CG ASP A 81 -5.192 2.781 12.687 1.00 74.55 C ATOM 464 OD1 ASP A 81 -4.721 1.784 13.268 1.00 33.40 O ATOM 465 OD2 ASP A 81 -5.516 3.815 13.297 1.00 13.31 O ATOM 0 H ASP A 81 -5.341 3.380 8.810 1.00 20.21 H new ATOM 0 HA ASP A 81 -3.586 3.860 11.076 1.00 25.13 H new ATOM 0 HB2 ASP A 81 -6.199 3.390 10.928 1.00 1.32 H new ATOM 0 HB3 ASP A 81 -5.663 1.721 10.916 1.00 1.32 H new ATOM 470 N LEU A 82 -2.174 1.823 10.695 1.00 3.03 N ATOM 471 CA LEU A 82 -1.361 0.656 10.509 1.00 62.13 C ATOM 472 C LEU A 82 -2.017 -0.542 11.176 1.00 34.14 C ATOM 473 O LEU A 82 -2.080 -1.604 10.582 1.00 63.33 O ATOM 474 CB LEU A 82 0.039 0.879 11.084 1.00 21.03 C ATOM 475 CG LEU A 82 1.218 0.117 10.430 1.00 42.53 C ATOM 476 CD1 LEU A 82 0.969 -1.367 10.359 1.00 2.10 C ATOM 477 CD2 LEU A 82 1.481 0.657 9.059 1.00 74.14 C ATOM 0 H LEU A 82 -1.719 2.576 11.212 1.00 3.03 H new ATOM 0 HA LEU A 82 -1.267 0.462 9.440 1.00 62.13 H new ATOM 0 HB2 LEU A 82 0.258 1.945 11.029 1.00 21.03 H new ATOM 0 HB3 LEU A 82 0.013 0.613 12.141 1.00 21.03 H new ATOM 0 HG LEU A 82 2.094 0.271 11.061 1.00 42.53 H new ATOM 0 HD11 LEU A 82 1.824 -1.857 9.893 1.00 2.10 H new ATOM 0 HD12 LEU A 82 0.829 -1.761 11.366 1.00 2.10 H new ATOM 0 HD13 LEU A 82 0.074 -1.558 9.767 1.00 2.10 H new ATOM 0 HD21 LEU A 82 2.312 0.115 8.608 1.00 74.14 H new ATOM 0 HD22 LEU A 82 0.590 0.535 8.443 1.00 74.14 H new ATOM 0 HD23 LEU A 82 1.733 1.715 9.127 1.00 74.14 H new ATOM 489 N ASN A 83 -2.551 -0.354 12.381 1.00 31.35 N ATOM 490 CA ASN A 83 -3.170 -1.428 13.100 1.00 23.33 C ATOM 491 C ASN A 83 -4.312 -1.953 12.305 1.00 51.13 C ATOM 492 O ASN A 83 -4.403 -3.124 12.083 1.00 21.31 O ATOM 493 CB ASN A 83 -3.681 -0.972 14.453 1.00 22.00 C ATOM 494 CG ASN A 83 -4.293 -2.108 15.242 1.00 73.44 C ATOM 495 OD1 ASN A 83 -3.610 -2.806 15.991 1.00 71.11 O ATOM 496 ND2 ASN A 83 -5.569 -2.313 15.081 1.00 4.53 N ATOM 0 H ASN A 83 -2.559 0.542 12.869 1.00 31.35 H new ATOM 0 HA ASN A 83 -2.421 -2.204 13.260 1.00 23.33 H new ATOM 0 HB2 ASN A 83 -2.860 -0.537 15.022 1.00 22.00 H new ATOM 0 HB3 ASN A 83 -4.424 -0.186 14.314 1.00 22.00 H new ATOM 0 HD21 ASN A 83 -6.031 -3.071 15.584 1.00 4.53 H new ATOM 0 HD22 ASN A 83 -6.106 -1.716 14.452 1.00 4.53 H new ATOM 503 N MET A 84 -5.148 -1.055 11.812 1.00 4.15 N ATOM 504 CA MET A 84 -6.314 -1.471 11.037 1.00 1.44 C ATOM 505 C MET A 84 -5.886 -2.062 9.746 1.00 43.31 C ATOM 506 O MET A 84 -6.520 -2.978 9.238 1.00 33.14 O ATOM 507 CB MET A 84 -7.282 -0.334 10.775 1.00 20.12 C ATOM 508 CG MET A 84 -7.815 0.286 12.025 1.00 4.13 C ATOM 509 SD MET A 84 -8.700 -0.907 13.072 1.00 32.14 S ATOM 510 CE MET A 84 -10.078 -1.359 12.004 1.00 11.34 C ATOM 0 H MET A 84 -5.048 -0.047 11.930 1.00 4.15 H new ATOM 0 HA MET A 84 -6.838 -2.215 11.637 1.00 1.44 H new ATOM 0 HB2 MET A 84 -6.781 0.432 10.183 1.00 20.12 H new ATOM 0 HB3 MET A 84 -8.115 -0.705 10.178 1.00 20.12 H new ATOM 0 HG2 MET A 84 -6.991 0.720 12.591 1.00 4.13 H new ATOM 0 HG3 MET A 84 -8.487 1.103 11.763 1.00 4.13 H new ATOM 0 HE1 MET A 84 -10.850 -1.851 12.595 1.00 11.34 H new ATOM 0 HE2 MET A 84 -10.491 -0.462 11.543 1.00 11.34 H new ATOM 0 HE3 MET A 84 -9.728 -2.038 11.227 1.00 11.34 H new ATOM 520 N PHE A 85 -4.813 -1.529 9.205 1.00 33.45 N ATOM 521 CA PHE A 85 -4.252 -2.056 7.979 1.00 25.14 C ATOM 522 C PHE A 85 -3.801 -3.494 8.154 1.00 11.14 C ATOM 523 O PHE A 85 -4.316 -4.379 7.498 1.00 14.12 O ATOM 524 CB PHE A 85 -3.077 -1.182 7.499 1.00 65.34 C ATOM 525 CG PHE A 85 -2.270 -1.811 6.392 1.00 21.33 C ATOM 526 CD1 PHE A 85 -2.757 -1.864 5.094 1.00 4.41 C ATOM 527 CD2 PHE A 85 -1.021 -2.353 6.661 1.00 61.31 C ATOM 528 CE1 PHE A 85 -2.010 -2.445 4.086 1.00 52.14 C ATOM 529 CE2 PHE A 85 -0.276 -2.936 5.657 1.00 4.22 C ATOM 530 CZ PHE A 85 -0.771 -2.982 4.367 1.00 64.23 C ATOM 0 H PHE A 85 -4.311 -0.731 9.594 1.00 33.45 H new ATOM 0 HA PHE A 85 -5.035 -2.037 7.221 1.00 25.14 H new ATOM 0 HB2 PHE A 85 -3.465 -0.223 7.155 1.00 65.34 H new ATOM 0 HB3 PHE A 85 -2.420 -0.975 8.344 1.00 65.34 H new ATOM 0 HD1 PHE A 85 -3.728 -1.448 4.869 1.00 4.41 H new ATOM 0 HD2 PHE A 85 -0.628 -2.318 7.666 1.00 61.31 H new ATOM 0 HE1 PHE A 85 -2.397 -2.478 3.078 1.00 52.14 H new ATOM 0 HE2 PHE A 85 0.694 -3.356 5.879 1.00 4.22 H new ATOM 0 HZ PHE A 85 -0.188 -3.438 3.580 1.00 64.23 H new ATOM 540 N THR A 86 -2.952 -3.722 9.114 1.00 71.23 N ATOM 541 CA THR A 86 -2.374 -5.027 9.307 1.00 21.41 C ATOM 542 C THR A 86 -3.422 -5.992 9.897 1.00 22.34 C ATOM 543 O THR A 86 -3.407 -7.189 9.621 1.00 2.53 O ATOM 544 CB THR A 86 -1.049 -4.945 10.154 1.00 14.04 C ATOM 545 OG1 THR A 86 -0.349 -6.188 10.172 1.00 2.42 O ATOM 546 CG2 THR A 86 -1.311 -4.490 11.576 1.00 53.51 C ATOM 0 H THR A 86 -2.641 -3.017 9.782 1.00 71.23 H new ATOM 0 HA THR A 86 -2.080 -5.435 8.340 1.00 21.41 H new ATOM 0 HB THR A 86 -0.424 -4.201 9.661 1.00 14.04 H new ATOM 0 HG1 THR A 86 0.468 -6.096 10.706 1.00 2.42 H new ATOM 0 HG21 THR A 86 -0.370 -4.448 12.124 1.00 53.51 H new ATOM 0 HG22 THR A 86 -1.768 -3.501 11.563 1.00 53.51 H new ATOM 0 HG23 THR A 86 -1.984 -5.194 12.065 1.00 53.51 H new ATOM 554 N PHE A 87 -4.385 -5.431 10.626 1.00 74.20 N ATOM 555 CA PHE A 87 -5.476 -6.193 11.189 1.00 4.31 C ATOM 556 C PHE A 87 -6.376 -6.710 10.102 1.00 52.22 C ATOM 557 O PHE A 87 -6.628 -7.908 10.023 1.00 33.00 O ATOM 558 CB PHE A 87 -6.294 -5.359 12.209 1.00 35.02 C ATOM 559 CG PHE A 87 -7.623 -5.976 12.563 1.00 22.54 C ATOM 560 CD1 PHE A 87 -7.685 -7.222 13.161 1.00 51.30 C ATOM 561 CD2 PHE A 87 -8.805 -5.320 12.267 1.00 51.35 C ATOM 562 CE1 PHE A 87 -8.899 -7.803 13.461 1.00 11.21 C ATOM 563 CE2 PHE A 87 -10.026 -5.894 12.560 1.00 64.03 C ATOM 564 CZ PHE A 87 -10.073 -7.136 13.162 1.00 40.33 C ATOM 0 H PHE A 87 -4.423 -4.434 10.838 1.00 74.20 H new ATOM 0 HA PHE A 87 -5.041 -7.038 11.722 1.00 4.31 H new ATOM 0 HB2 PHE A 87 -5.706 -5.235 13.119 1.00 35.02 H new ATOM 0 HB3 PHE A 87 -6.462 -4.363 11.800 1.00 35.02 H new ATOM 0 HD1 PHE A 87 -6.771 -7.746 13.396 1.00 51.30 H new ATOM 0 HD2 PHE A 87 -8.772 -4.346 11.801 1.00 51.35 H new ATOM 0 HE1 PHE A 87 -8.933 -8.776 13.928 1.00 11.21 H new ATOM 0 HE2 PHE A 87 -10.941 -5.374 12.319 1.00 64.03 H new ATOM 0 HZ PHE A 87 -11.026 -7.586 13.399 1.00 40.33 H new ATOM 574 N HIS A 88 -6.841 -5.818 9.236 1.00 1.52 N ATOM 575 CA HIS A 88 -7.759 -6.221 8.200 1.00 55.55 C ATOM 576 C HIS A 88 -7.053 -7.147 7.222 1.00 41.54 C ATOM 577 O HIS A 88 -7.659 -7.994 6.621 1.00 35.12 O ATOM 578 CB HIS A 88 -8.469 -5.019 7.508 1.00 74.35 C ATOM 579 CG HIS A 88 -7.740 -4.346 6.377 1.00 31.51 C ATOM 580 ND1 HIS A 88 -7.125 -3.124 6.464 1.00 65.21 N ATOM 581 CD2 HIS A 88 -7.613 -4.739 5.099 1.00 22.42 C ATOM 582 CE1 HIS A 88 -6.658 -2.806 5.261 1.00 53.14 C ATOM 583 NE2 HIS A 88 -6.934 -3.779 4.370 1.00 45.14 N ATOM 0 H HIS A 88 -6.597 -4.828 9.236 1.00 1.52 H new ATOM 0 HA HIS A 88 -8.572 -6.778 8.665 1.00 55.55 H new ATOM 0 HB2 HIS A 88 -9.430 -5.367 7.130 1.00 74.35 H new ATOM 0 HB3 HIS A 88 -8.679 -4.267 8.269 1.00 74.35 H new ATOM 0 HD1 HIS A 88 -7.040 -2.556 7.307 1.00 65.21 H new ATOM 0 HD2 HIS A 88 -7.987 -5.670 4.698 1.00 22.42 H new ATOM 0 HE1 HIS A 88 -6.130 -1.893 5.029 1.00 53.14 H new ATOM 591 N VAL A 89 -5.755 -6.966 7.079 1.00 70.41 N ATOM 592 CA VAL A 89 -4.970 -7.845 6.258 1.00 22.44 C ATOM 593 C VAL A 89 -4.963 -9.226 6.876 1.00 11.55 C ATOM 594 O VAL A 89 -5.462 -10.149 6.289 1.00 12.25 O ATOM 595 CB VAL A 89 -3.517 -7.331 6.061 1.00 21.54 C ATOM 596 CG1 VAL A 89 -2.633 -8.401 5.423 1.00 43.12 C ATOM 597 CG2 VAL A 89 -3.504 -6.097 5.184 1.00 43.20 C ATOM 0 H VAL A 89 -5.228 -6.215 7.524 1.00 70.41 H new ATOM 0 HA VAL A 89 -5.426 -7.880 5.269 1.00 22.44 H new ATOM 0 HB VAL A 89 -3.123 -7.086 7.047 1.00 21.54 H new ATOM 0 HG11 VAL A 89 -1.623 -8.011 5.298 1.00 43.12 H new ATOM 0 HG12 VAL A 89 -2.606 -9.281 6.066 1.00 43.12 H new ATOM 0 HG13 VAL A 89 -3.039 -8.675 4.449 1.00 43.12 H new ATOM 0 HG21 VAL A 89 -2.478 -5.751 5.057 1.00 43.20 H new ATOM 0 HG22 VAL A 89 -3.928 -6.339 4.210 1.00 43.20 H new ATOM 0 HG23 VAL A 89 -4.096 -5.311 5.653 1.00 43.20 H new ATOM 607 N ASP A 90 -4.514 -9.318 8.110 1.00 13.12 N ATOM 608 CA ASP A 90 -4.377 -10.600 8.806 1.00 71.01 C ATOM 609 C ASP A 90 -5.721 -11.304 8.951 1.00 54.21 C ATOM 610 O ASP A 90 -5.804 -12.529 8.998 1.00 10.34 O ATOM 611 CB ASP A 90 -3.729 -10.377 10.180 1.00 21.01 C ATOM 612 CG ASP A 90 -3.571 -11.635 11.002 1.00 54.22 C ATOM 613 OD1 ASP A 90 -2.576 -12.359 10.813 1.00 4.44 O ATOM 614 OD2 ASP A 90 -4.425 -11.896 11.889 1.00 51.41 O ATOM 0 H ASP A 90 -4.231 -8.512 8.667 1.00 13.12 H new ATOM 0 HA ASP A 90 -3.735 -11.248 8.209 1.00 71.01 H new ATOM 0 HB2 ASP A 90 -2.748 -9.924 10.037 1.00 21.01 H new ATOM 0 HB3 ASP A 90 -4.331 -9.663 10.742 1.00 21.01 H new ATOM 619 N SER A 91 -6.765 -10.533 8.967 1.00 23.02 N ATOM 620 CA SER A 91 -8.075 -11.070 9.155 1.00 25.10 C ATOM 621 C SER A 91 -8.755 -11.404 7.798 1.00 21.43 C ATOM 622 O SER A 91 -9.325 -12.488 7.639 1.00 22.14 O ATOM 623 CB SER A 91 -8.915 -10.081 9.980 1.00 63.31 C ATOM 624 OG SER A 91 -10.050 -10.706 10.563 1.00 44.35 O ATOM 0 H SER A 91 -6.732 -9.520 8.851 1.00 23.02 H new ATOM 0 HA SER A 91 -7.997 -12.010 9.702 1.00 25.10 H new ATOM 0 HB2 SER A 91 -8.296 -9.647 10.765 1.00 63.31 H new ATOM 0 HB3 SER A 91 -9.241 -9.260 9.341 1.00 63.31 H new ATOM 0 HG SER A 91 -10.557 -10.046 11.080 1.00 44.35 H new ATOM 630 N GLU A 92 -8.641 -10.520 6.813 1.00 51.51 N ATOM 631 CA GLU A 92 -9.391 -10.692 5.551 1.00 0.21 C ATOM 632 C GLU A 92 -8.560 -11.352 4.456 1.00 53.40 C ATOM 633 O GLU A 92 -9.077 -12.174 3.681 1.00 1.44 O ATOM 634 CB GLU A 92 -9.937 -9.350 5.033 1.00 23.45 C ATOM 635 CG GLU A 92 -10.879 -8.641 5.990 1.00 1.51 C ATOM 636 CD GLU A 92 -11.410 -7.329 5.435 1.00 70.52 C ATOM 637 OE1 GLU A 92 -12.247 -7.353 4.511 1.00 50.20 O ATOM 638 OE2 GLU A 92 -11.010 -6.249 5.909 1.00 33.42 O ATOM 0 H GLU A 92 -8.051 -9.689 6.851 1.00 51.51 H new ATOM 0 HA GLU A 92 -10.223 -11.355 5.791 1.00 0.21 H new ATOM 0 HB2 GLU A 92 -9.097 -8.690 4.815 1.00 23.45 H new ATOM 0 HB3 GLU A 92 -10.459 -9.524 4.092 1.00 23.45 H new ATOM 0 HG2 GLU A 92 -11.718 -9.298 6.220 1.00 1.51 H new ATOM 0 HG3 GLU A 92 -10.358 -8.449 6.928 1.00 1.51 H new ATOM 645 N HIS A 93 -7.293 -11.001 4.394 1.00 53.12 N ATOM 646 CA HIS A 93 -6.383 -11.474 3.368 1.00 13.35 C ATOM 647 C HIS A 93 -4.980 -11.733 3.937 1.00 50.52 C ATOM 648 O HIS A 93 -4.039 -11.003 3.630 1.00 42.00 O ATOM 649 CB HIS A 93 -6.330 -10.483 2.177 1.00 1.20 C ATOM 650 CG HIS A 93 -6.665 -9.010 2.484 1.00 55.33 C ATOM 651 ND1 HIS A 93 -7.928 -8.493 2.359 1.00 10.21 N ATOM 652 CD2 HIS A 93 -5.871 -7.954 2.867 1.00 31.33 C ATOM 653 CE1 HIS A 93 -7.901 -7.204 2.647 1.00 13.00 C ATOM 654 NE2 HIS A 93 -6.661 -6.784 2.969 1.00 40.41 N ATOM 0 H HIS A 93 -6.858 -10.369 5.065 1.00 53.12 H new ATOM 0 HA HIS A 93 -6.766 -12.425 2.998 1.00 13.35 H new ATOM 0 HB2 HIS A 93 -5.329 -10.521 1.747 1.00 1.20 H new ATOM 0 HB3 HIS A 93 -7.020 -10.836 1.410 1.00 1.20 H new ATOM 0 HD1 HIS A 93 -8.758 -9.020 2.087 1.00 10.21 H new ATOM 0 HD2 HIS A 93 -4.810 -8.009 3.060 1.00 31.33 H new ATOM 0 HE1 HIS A 93 -8.770 -6.562 2.627 1.00 13.00 H new ATOM 755 N SER A 100 4.024 -9.581 -8.639 1.00 34.32 N ATOM 756 CA SER A 100 5.086 -8.799 -8.113 1.00 61.20 C ATOM 757 C SER A 100 4.585 -7.379 -7.939 1.00 41.45 C ATOM 758 O SER A 100 4.137 -6.713 -8.884 1.00 61.44 O ATOM 759 CB SER A 100 6.269 -8.845 -9.074 1.00 72.41 C ATOM 760 OG SER A 100 6.634 -10.192 -9.353 1.00 61.14 O ATOM 0 HA SER A 100 5.415 -9.186 -7.149 1.00 61.20 H new ATOM 0 HB2 SER A 100 6.012 -8.332 -10.001 1.00 72.41 H new ATOM 0 HB3 SER A 100 7.117 -8.315 -8.641 1.00 72.41 H new ATOM 0 HG SER A 100 5.851 -10.772 -9.246 1.00 61.14 H new ATOM 766 N SER A 101 4.641 -6.947 -6.726 1.00 0.42 N ATOM 767 CA SER A 101 4.076 -5.728 -6.297 1.00 42.51 C ATOM 768 C SER A 101 5.120 -4.957 -5.528 1.00 51.41 C ATOM 769 O SER A 101 6.218 -5.479 -5.289 1.00 31.30 O ATOM 770 CB SER A 101 2.914 -6.087 -5.395 1.00 60.45 C ATOM 771 OG SER A 101 2.082 -7.048 -6.035 1.00 63.43 O ATOM 0 H SER A 101 5.104 -7.462 -5.978 1.00 0.42 H new ATOM 0 HA SER A 101 3.737 -5.113 -7.131 1.00 42.51 H new ATOM 0 HB2 SER A 101 3.285 -6.486 -4.451 1.00 60.45 H new ATOM 0 HB3 SER A 101 2.336 -5.193 -5.158 1.00 60.45 H new ATOM 0 HG SER A 101 1.878 -6.749 -6.946 1.00 63.43 H new ATOM 777 N TYR A 102 4.792 -3.757 -5.150 1.00 5.04 N ATOM 778 CA TYR A 102 5.688 -2.911 -4.405 1.00 41.54 C ATOM 779 C TYR A 102 5.137 -2.639 -3.028 1.00 10.43 C ATOM 780 O TYR A 102 3.915 -2.491 -2.848 1.00 24.24 O ATOM 781 CB TYR A 102 5.923 -1.590 -5.115 1.00 41.45 C ATOM 782 CG TYR A 102 6.948 -1.568 -6.239 1.00 71.30 C ATOM 783 CD1 TYR A 102 7.201 -2.673 -7.038 1.00 20.01 C ATOM 784 CD2 TYR A 102 7.655 -0.401 -6.502 1.00 24.11 C ATOM 785 CE1 TYR A 102 8.126 -2.617 -8.063 1.00 44.30 C ATOM 786 CE2 TYR A 102 8.582 -0.339 -7.522 1.00 5.53 C ATOM 787 CZ TYR A 102 8.813 -1.446 -8.297 1.00 25.33 C ATOM 788 OH TYR A 102 9.733 -1.386 -9.317 1.00 41.44 O ATOM 0 H TYR A 102 3.887 -3.330 -5.350 1.00 5.04 H new ATOM 0 HA TYR A 102 6.638 -3.439 -4.323 1.00 41.54 H new ATOM 0 HB2 TYR A 102 4.970 -1.253 -5.523 1.00 41.45 H new ATOM 0 HB3 TYR A 102 6.227 -0.857 -4.368 1.00 41.45 H new ATOM 0 HD1 TYR A 102 6.666 -3.593 -6.856 1.00 20.01 H new ATOM 0 HD2 TYR A 102 7.475 0.475 -5.896 1.00 24.11 H new ATOM 0 HE1 TYR A 102 8.309 -3.486 -8.677 1.00 44.30 H new ATOM 0 HE2 TYR A 102 9.123 0.577 -7.709 1.00 5.53 H new ATOM 0 HH TYR A 102 10.128 -0.490 -9.349 1.00 41.44 H new ATOM 798 N VAL A 103 6.019 -2.594 -2.071 1.00 43.10 N ATOM 799 CA VAL A 103 5.675 -2.322 -0.707 1.00 54.13 C ATOM 800 C VAL A 103 6.599 -1.235 -0.158 1.00 11.43 C ATOM 801 O VAL A 103 7.788 -1.223 -0.438 1.00 64.14 O ATOM 802 CB VAL A 103 5.785 -3.635 0.159 1.00 71.12 C ATOM 803 CG1 VAL A 103 7.154 -4.184 0.148 1.00 13.10 C ATOM 804 CG2 VAL A 103 5.356 -3.448 1.584 1.00 72.45 C ATOM 0 H VAL A 103 7.016 -2.748 -2.221 1.00 43.10 H new ATOM 0 HA VAL A 103 4.644 -1.971 -0.658 1.00 54.13 H new ATOM 0 HB VAL A 103 5.098 -4.337 -0.313 1.00 71.12 H new ATOM 0 HG11 VAL A 103 7.188 -5.088 0.756 1.00 13.10 H new ATOM 0 HG12 VAL A 103 7.442 -4.424 -0.876 1.00 13.10 H new ATOM 0 HG13 VAL A 103 7.845 -3.446 0.556 1.00 13.10 H new ATOM 0 HG21 VAL A 103 5.458 -4.391 2.121 1.00 72.45 H new ATOM 0 HG22 VAL A 103 5.983 -2.692 2.056 1.00 72.45 H new ATOM 0 HG23 VAL A 103 4.315 -3.125 1.611 1.00 72.45 H new ATOM 814 N CYS A 104 6.053 -0.301 0.568 1.00 5.33 N ATOM 815 CA CYS A 104 6.876 0.681 1.235 1.00 32.13 C ATOM 816 C CYS A 104 7.383 0.007 2.450 1.00 15.05 C ATOM 817 O CYS A 104 6.638 -0.172 3.351 1.00 65.10 O ATOM 818 CB CYS A 104 6.023 1.926 1.609 1.00 13.23 C ATOM 819 SG CYS A 104 6.793 3.231 2.745 1.00 71.13 S ATOM 0 H CYS A 104 5.049 -0.195 0.716 1.00 5.33 H new ATOM 0 HA CYS A 104 7.692 1.033 0.604 1.00 32.13 H new ATOM 0 HB2 CYS A 104 5.733 2.421 0.682 1.00 13.23 H new ATOM 0 HB3 CYS A 104 5.107 1.572 2.082 1.00 13.23 H new ATOM 0 HG CYS A 104 6.206 3.197 3.905 1.00 71.13 H new ATOM 824 N VAL A 105 8.633 -0.427 2.439 1.00 32.41 N ATOM 825 CA VAL A 105 9.252 -1.144 3.571 1.00 34.03 C ATOM 826 C VAL A 105 9.147 -0.322 4.829 1.00 23.33 C ATOM 827 O VAL A 105 9.009 -0.851 5.928 1.00 10.30 O ATOM 828 CB VAL A 105 10.750 -1.398 3.339 1.00 74.33 C ATOM 829 CG1 VAL A 105 11.114 -2.782 3.660 1.00 45.54 C ATOM 830 CG2 VAL A 105 11.169 -1.073 1.954 1.00 45.24 C ATOM 0 H VAL A 105 9.261 -0.297 1.645 1.00 32.41 H new ATOM 0 HA VAL A 105 8.721 -2.092 3.662 1.00 34.03 H new ATOM 0 HB VAL A 105 11.282 -0.728 4.015 1.00 74.33 H new ATOM 0 HG11 VAL A 105 12.180 -2.928 3.485 1.00 45.54 H new ATOM 0 HG12 VAL A 105 10.887 -2.984 4.707 1.00 45.54 H new ATOM 0 HG13 VAL A 105 10.546 -3.464 3.027 1.00 45.54 H new ATOM 0 HG21 VAL A 105 12.235 -1.269 1.841 1.00 45.24 H new ATOM 0 HG22 VAL A 105 10.610 -1.690 1.250 1.00 45.24 H new ATOM 0 HG23 VAL A 105 10.970 -0.021 1.751 1.00 45.24 H new ATOM 840 N GLU A 106 9.180 0.976 4.633 1.00 34.12 N ATOM 841 CA GLU A 106 9.122 1.951 5.691 1.00 2.43 C ATOM 842 C GLU A 106 7.835 1.813 6.478 1.00 35.51 C ATOM 843 O GLU A 106 7.821 1.946 7.697 1.00 60.11 O ATOM 844 CB GLU A 106 9.190 3.355 5.097 1.00 5.13 C ATOM 845 CG GLU A 106 10.331 3.587 4.117 1.00 24.24 C ATOM 846 CD GLU A 106 11.688 3.577 4.762 1.00 15.50 C ATOM 847 OE1 GLU A 106 11.845 2.965 5.834 1.00 10.24 O ATOM 848 OE2 GLU A 106 12.612 4.196 4.204 1.00 50.35 O ATOM 0 H GLU A 106 9.250 1.392 3.704 1.00 34.12 H new ATOM 0 HA GLU A 106 9.967 1.783 6.359 1.00 2.43 H new ATOM 0 HB2 GLU A 106 8.248 3.564 4.590 1.00 5.13 H new ATOM 0 HB3 GLU A 106 9.280 4.073 5.912 1.00 5.13 H new ATOM 0 HG2 GLU A 106 10.299 2.818 3.346 1.00 24.24 H new ATOM 0 HG3 GLU A 106 10.182 4.545 3.618 1.00 24.24 H new ATOM 855 N CYS A 107 6.763 1.565 5.769 1.00 52.11 N ATOM 856 CA CYS A 107 5.443 1.436 6.415 1.00 13.23 C ATOM 857 C CYS A 107 5.005 -0.025 6.466 1.00 44.00 C ATOM 858 O CYS A 107 4.164 -0.419 7.262 1.00 42.54 O ATOM 859 CB CYS A 107 4.451 2.205 5.567 1.00 44.41 C ATOM 860 SG CYS A 107 5.038 3.882 5.105 1.00 75.24 S ATOM 0 H CYS A 107 6.757 1.446 4.756 1.00 52.11 H new ATOM 0 HA CYS A 107 5.493 1.819 7.434 1.00 13.23 H new ATOM 0 HB2 CYS A 107 4.242 1.638 4.660 1.00 44.41 H new ATOM 0 HB3 CYS A 107 3.511 2.294 6.111 1.00 44.41 H new ATOM 0 HG CYS A 107 5.036 4.001 3.810 1.00 75.24 H new ATOM 865 N ASN A 108 5.656 -0.777 5.640 1.00 63.14 N ATOM 866 CA ASN A 108 5.313 -2.125 5.239 1.00 3.15 C ATOM 867 C ASN A 108 3.907 -2.218 4.770 1.00 45.44 C ATOM 868 O ASN A 108 3.032 -2.773 5.428 1.00 74.33 O ATOM 869 CB ASN A 108 5.675 -3.214 6.195 1.00 23.25 C ATOM 870 CG ASN A 108 6.021 -4.435 5.451 1.00 12.23 C ATOM 871 OD1 ASN A 108 5.198 -5.323 5.173 1.00 13.11 O ATOM 872 ND2 ASN A 108 7.205 -4.466 5.072 1.00 44.13 N ATOM 0 H ASN A 108 6.509 -0.450 5.187 1.00 63.14 H new ATOM 0 HA ASN A 108 5.971 -2.321 4.393 1.00 3.15 H new ATOM 0 HB2 ASN A 108 6.517 -2.903 6.813 1.00 23.25 H new ATOM 0 HB3 ASN A 108 4.841 -3.411 6.868 1.00 23.25 H new ATOM 0 HD21 ASN A 108 7.539 -5.246 4.506 1.00 44.13 H new ATOM 0 HD22 ASN A 108 7.842 -3.711 5.327 1.00 44.13 H new ATOM 879 N PHE A 109 3.677 -1.603 3.646 1.00 63.01 N ATOM 880 CA PHE A 109 2.373 -1.621 3.071 1.00 63.40 C ATOM 881 C PHE A 109 2.466 -1.961 1.587 1.00 1.50 C ATOM 882 O PHE A 109 3.221 -1.311 0.839 1.00 62.44 O ATOM 883 CB PHE A 109 1.600 -0.293 3.330 1.00 64.43 C ATOM 884 CG PHE A 109 1.503 0.686 2.168 1.00 21.44 C ATOM 885 CD1 PHE A 109 0.449 0.595 1.288 1.00 73.23 C ATOM 886 CD2 PHE A 109 2.437 1.690 1.976 1.00 44.00 C ATOM 887 CE1 PHE A 109 0.320 1.481 0.236 1.00 33.12 C ATOM 888 CE2 PHE A 109 2.307 2.588 0.914 1.00 41.13 C ATOM 889 CZ PHE A 109 1.245 2.477 0.053 1.00 13.33 C ATOM 0 H PHE A 109 4.377 -1.085 3.114 1.00 63.01 H new ATOM 0 HA PHE A 109 1.790 -2.401 3.561 1.00 63.40 H new ATOM 0 HB2 PHE A 109 0.588 -0.546 3.646 1.00 64.43 H new ATOM 0 HB3 PHE A 109 2.076 0.219 4.166 1.00 64.43 H new ATOM 0 HD1 PHE A 109 -0.289 -0.182 1.422 1.00 73.23 H new ATOM 0 HD2 PHE A 109 3.273 1.780 2.653 1.00 44.00 H new ATOM 0 HE1 PHE A 109 -0.513 1.389 -0.445 1.00 33.12 H new ATOM 0 HE2 PHE A 109 3.041 3.368 0.771 1.00 41.13 H new ATOM 0 HZ PHE A 109 1.138 3.172 -0.767 1.00 13.33 H new ATOM 899 N LEU A 110 1.762 -2.985 1.186 1.00 75.03 N ATOM 900 CA LEU A 110 1.745 -3.428 -0.199 1.00 1.41 C ATOM 901 C LEU A 110 0.597 -2.801 -0.889 1.00 30.23 C ATOM 902 O LEU A 110 -0.494 -2.842 -0.368 1.00 0.21 O ATOM 903 CB LEU A 110 1.581 -4.939 -0.307 1.00 13.02 C ATOM 904 CG LEU A 110 2.842 -5.760 -0.428 1.00 74.12 C ATOM 905 CD1 LEU A 110 2.505 -7.216 -0.221 1.00 74.52 C ATOM 906 CD2 LEU A 110 3.414 -5.574 -1.828 1.00 73.54 C ATOM 0 H LEU A 110 1.178 -3.544 1.807 1.00 75.03 H new ATOM 0 HA LEU A 110 2.695 -3.142 -0.651 1.00 1.41 H new ATOM 0 HB2 LEU A 110 1.036 -5.284 0.572 1.00 13.02 H new ATOM 0 HB3 LEU A 110 0.955 -5.150 -1.174 1.00 13.02 H new ATOM 0 HG LEU A 110 3.569 -5.442 0.319 1.00 74.12 H new ATOM 0 HD11 LEU A 110 3.412 -7.815 -0.307 1.00 74.52 H new ATOM 0 HD12 LEU A 110 2.073 -7.352 0.770 1.00 74.52 H new ATOM 0 HD13 LEU A 110 1.787 -7.534 -0.977 1.00 74.52 H new ATOM 0 HD21 LEU A 110 4.326 -6.162 -1.929 1.00 73.54 H new ATOM 0 HD22 LEU A 110 2.684 -5.906 -2.566 1.00 73.54 H new ATOM 0 HD23 LEU A 110 3.641 -4.521 -1.991 1.00 73.54 H new ATOM 918 N THR A 111 0.822 -2.289 -2.055 1.00 15.31 N ATOM 919 CA THR A 111 -0.206 -1.622 -2.809 1.00 3.04 C ATOM 920 C THR A 111 -0.345 -2.238 -4.193 1.00 62.34 C ATOM 921 O THR A 111 0.547 -2.960 -4.665 1.00 41.54 O ATOM 922 CB THR A 111 0.040 -0.083 -2.865 1.00 4.13 C ATOM 923 OG1 THR A 111 -0.828 0.585 -3.833 1.00 33.22 O ATOM 924 CG2 THR A 111 1.515 0.236 -3.116 1.00 33.05 C ATOM 0 H THR A 111 1.729 -2.319 -2.521 1.00 15.31 H new ATOM 0 HA THR A 111 -1.157 -1.766 -2.296 1.00 3.04 H new ATOM 0 HB THR A 111 -0.224 0.315 -1.885 1.00 4.13 H new ATOM 0 HG1 THR A 111 -1.661 0.855 -3.393 1.00 33.22 H new ATOM 0 HG21 THR A 111 1.653 1.317 -3.150 1.00 33.05 H new ATOM 0 HG22 THR A 111 2.120 -0.182 -2.311 1.00 33.05 H new ATOM 0 HG23 THR A 111 1.825 -0.199 -4.066 1.00 33.05 H new ATOM 932 N LYS A 112 -1.479 -1.985 -4.820 1.00 14.30 N ATOM 933 CA LYS A 112 -1.798 -2.543 -6.117 1.00 74.00 C ATOM 934 C LYS A 112 -1.208 -1.694 -7.215 1.00 24.34 C ATOM 935 O LYS A 112 -1.036 -2.149 -8.339 1.00 4.20 O ATOM 936 CB LYS A 112 -3.327 -2.653 -6.303 1.00 63.14 C ATOM 937 CG LYS A 112 -4.054 -1.308 -6.306 1.00 3.52 C ATOM 938 CD LYS A 112 -5.564 -1.447 -6.511 1.00 63.14 C ATOM 939 CE LYS A 112 -6.245 -2.158 -5.347 1.00 4.41 C ATOM 940 NZ LYS A 112 -5.959 -1.488 -4.062 1.00 22.32 N ATOM 0 H LYS A 112 -2.208 -1.382 -4.439 1.00 14.30 H new ATOM 0 HA LYS A 112 -1.367 -3.543 -6.171 1.00 74.00 H new ATOM 0 HB2 LYS A 112 -3.532 -3.167 -7.242 1.00 63.14 H new ATOM 0 HB3 LYS A 112 -3.736 -3.273 -5.505 1.00 63.14 H new ATOM 0 HG2 LYS A 112 -3.866 -0.797 -5.362 1.00 3.52 H new ATOM 0 HG3 LYS A 112 -3.642 -0.680 -7.096 1.00 3.52 H new ATOM 0 HD2 LYS A 112 -6.004 -0.457 -6.636 1.00 63.14 H new ATOM 0 HD3 LYS A 112 -5.754 -1.999 -7.432 1.00 63.14 H new ATOM 0 HE2 LYS A 112 -7.322 -2.183 -5.514 1.00 4.41 H new ATOM 0 HE3 LYS A 112 -5.906 -3.193 -5.303 1.00 4.41 H new ATOM 0 HZ1 LYS A 112 -6.590 -1.865 -3.326 1.00 22.32 H new ATOM 0 HZ2 LYS A 112 -4.970 -1.662 -3.792 1.00 22.32 H new ATOM 0 HZ3 LYS A 112 -6.116 -0.465 -4.162 1.00 22.32 H new ATOM 954 N ARG A 113 -0.865 -0.485 -6.878 1.00 23.30 N ATOM 955 CA ARG A 113 -0.376 0.435 -7.850 1.00 64.11 C ATOM 956 C ARG A 113 1.044 0.774 -7.508 1.00 63.32 C ATOM 957 O ARG A 113 1.451 0.671 -6.358 1.00 14.12 O ATOM 958 CB ARG A 113 -1.245 1.693 -7.855 1.00 45.24 C ATOM 959 CG ARG A 113 -1.092 2.556 -6.613 1.00 41.40 C ATOM 960 CD ARG A 113 -2.188 3.576 -6.507 1.00 12.23 C ATOM 961 NE ARG A 113 -3.452 2.932 -6.184 1.00 63.01 N ATOM 962 CZ ARG A 113 -4.541 2.915 -6.949 1.00 41.44 C ATOM 963 NH1 ARG A 113 -4.539 3.474 -8.158 1.00 11.11 N ATOM 964 NH2 ARG A 113 -5.615 2.330 -6.505 1.00 25.12 N ATOM 0 H ARG A 113 -0.917 -0.116 -5.929 1.00 23.30 H new ATOM 0 HA ARG A 113 -0.415 -0.007 -8.845 1.00 64.11 H new ATOM 0 HB2 ARG A 113 -0.997 2.290 -8.732 1.00 45.24 H new ATOM 0 HB3 ARG A 113 -2.290 1.400 -7.954 1.00 45.24 H new ATOM 0 HG2 ARG A 113 -1.098 1.922 -5.726 1.00 41.40 H new ATOM 0 HG3 ARG A 113 -0.126 3.061 -6.637 1.00 41.40 H new ATOM 0 HD2 ARG A 113 -1.939 4.308 -5.739 1.00 12.23 H new ATOM 0 HD3 ARG A 113 -2.280 4.120 -7.447 1.00 12.23 H new ATOM 0 HE ARG A 113 -3.509 2.448 -5.288 1.00 63.01 H new ATOM 0 HH11 ARG A 113 -3.694 3.924 -8.510 1.00 11.11 H new ATOM 0 HH12 ARG A 113 -5.382 3.452 -8.731 1.00 11.11 H new ATOM 0 HH21 ARG A 113 -5.614 1.893 -5.583 1.00 25.12 H new ATOM 0 HH22 ARG A 113 -6.458 2.308 -7.079 1.00 25.12 H new ATOM 978 N TYR A 114 1.792 1.176 -8.475 1.00 33.11 N ATOM 979 CA TYR A 114 3.158 1.531 -8.245 1.00 72.50 C ATOM 980 C TYR A 114 3.250 3.020 -7.892 1.00 12.23 C ATOM 981 O TYR A 114 4.240 3.485 -7.315 1.00 4.14 O ATOM 982 CB TYR A 114 4.012 1.142 -9.455 1.00 31.31 C ATOM 983 CG TYR A 114 3.923 -0.353 -9.777 1.00 3.32 C ATOM 984 CD1 TYR A 114 4.658 -1.283 -9.058 1.00 65.32 C ATOM 985 CD2 TYR A 114 3.080 -0.828 -10.780 1.00 21.20 C ATOM 986 CE1 TYR A 114 4.563 -2.641 -9.327 1.00 62.13 C ATOM 987 CE2 TYR A 114 2.975 -2.188 -11.052 1.00 4.34 C ATOM 988 CZ TYR A 114 3.723 -3.088 -10.321 1.00 13.54 C ATOM 989 OH TYR A 114 3.621 -4.457 -10.579 1.00 23.14 O ATOM 0 H TYR A 114 1.482 1.269 -9.442 1.00 33.11 H new ATOM 0 HA TYR A 114 3.556 0.978 -7.395 1.00 72.50 H new ATOM 0 HB2 TYR A 114 3.691 1.717 -10.323 1.00 31.31 H new ATOM 0 HB3 TYR A 114 5.051 1.408 -9.263 1.00 31.31 H new ATOM 0 HD1 TYR A 114 5.318 -0.944 -8.273 1.00 65.32 H new ATOM 0 HD2 TYR A 114 2.497 -0.126 -11.358 1.00 21.20 H new ATOM 0 HE1 TYR A 114 5.148 -3.347 -8.756 1.00 62.13 H new ATOM 0 HE2 TYR A 114 2.312 -2.537 -11.830 1.00 4.34 H new ATOM 0 HH TYR A 114 3.874 -4.961 -9.777 1.00 23.14 H new ATOM 999 N ASP A 115 2.162 3.747 -8.192 1.00 0.22 N ATOM 1000 CA ASP A 115 2.035 5.192 -7.868 1.00 74.32 C ATOM 1001 C ASP A 115 2.220 5.436 -6.416 1.00 53.34 C ATOM 1002 O ASP A 115 2.983 6.284 -6.038 1.00 51.21 O ATOM 1003 CB ASP A 115 0.652 5.779 -8.215 1.00 13.44 C ATOM 1004 CG ASP A 115 0.302 5.872 -9.664 1.00 75.25 C ATOM 1005 OD1 ASP A 115 -0.291 4.913 -10.196 1.00 44.12 O ATOM 1006 OD2 ASP A 115 0.528 6.934 -10.265 1.00 75.43 O ATOM 0 H ASP A 115 1.345 3.360 -8.664 1.00 0.22 H new ATOM 0 HA ASP A 115 2.807 5.672 -8.470 1.00 74.32 H new ATOM 0 HB2 ASP A 115 -0.107 5.173 -7.721 1.00 13.44 H new ATOM 0 HB3 ASP A 115 0.591 6.779 -7.786 1.00 13.44 H new ATOM 1011 N ALA A 116 1.560 4.645 -5.613 1.00 54.33 N ATOM 1012 CA ALA A 116 1.476 4.857 -4.187 1.00 53.24 C ATOM 1013 C ALA A 116 2.835 4.885 -3.519 1.00 23.01 C ATOM 1014 O ALA A 116 2.983 5.469 -2.469 1.00 53.32 O ATOM 1015 CB ALA A 116 0.583 3.817 -3.566 1.00 4.40 C ATOM 0 H ALA A 116 1.055 3.819 -5.935 1.00 54.33 H new ATOM 0 HA ALA A 116 1.040 5.843 -4.026 1.00 53.24 H new ATOM 0 HB1 ALA A 116 0.524 3.983 -2.490 1.00 4.40 H new ATOM 0 HB2 ALA A 116 -0.415 3.889 -3.999 1.00 4.40 H new ATOM 0 HB3 ALA A 116 0.992 2.825 -3.758 1.00 4.40 H new ATOM 1021 N LEU A 117 3.808 4.239 -4.126 1.00 71.31 N ATOM 1022 CA LEU A 117 5.170 4.239 -3.612 1.00 24.40 C ATOM 1023 C LEU A 117 5.917 5.471 -4.080 1.00 3.30 C ATOM 1024 O LEU A 117 6.754 6.005 -3.377 1.00 2.05 O ATOM 1025 CB LEU A 117 5.951 3.018 -4.055 1.00 60.21 C ATOM 1026 CG LEU A 117 5.352 1.651 -3.757 1.00 11.34 C ATOM 1027 CD1 LEU A 117 4.837 1.555 -2.325 1.00 31.01 C ATOM 1028 CD2 LEU A 117 4.295 1.288 -4.775 1.00 51.43 C ATOM 0 H LEU A 117 3.684 3.701 -4.984 1.00 71.31 H new ATOM 0 HA LEU A 117 5.087 4.230 -2.525 1.00 24.40 H new ATOM 0 HB2 LEU A 117 6.104 3.090 -5.132 1.00 60.21 H new ATOM 0 HB3 LEU A 117 6.936 3.062 -3.589 1.00 60.21 H new ATOM 0 HG LEU A 117 6.150 0.913 -3.844 1.00 11.34 H new ATOM 0 HD11 LEU A 117 4.418 0.563 -2.155 1.00 31.01 H new ATOM 0 HD12 LEU A 117 5.660 1.725 -1.630 1.00 31.01 H new ATOM 0 HD13 LEU A 117 4.065 2.308 -2.165 1.00 31.01 H new ATOM 0 HD21 LEU A 117 3.884 0.307 -4.538 1.00 51.43 H new ATOM 0 HD22 LEU A 117 3.498 2.031 -4.752 1.00 51.43 H new ATOM 0 HD23 LEU A 117 4.741 1.264 -5.769 1.00 51.43 H new ATOM 1040 N SER A 118 5.606 5.899 -5.271 1.00 72.13 N ATOM 1041 CA SER A 118 6.239 7.049 -5.884 1.00 72.24 C ATOM 1042 C SER A 118 5.743 8.332 -5.241 1.00 51.13 C ATOM 1043 O SER A 118 6.502 9.232 -4.938 1.00 43.44 O ATOM 1044 CB SER A 118 5.865 7.050 -7.349 1.00 22.33 C ATOM 1045 OG SER A 118 6.536 6.039 -8.087 1.00 62.12 O ATOM 0 H SER A 118 4.897 5.458 -5.857 1.00 72.13 H new ATOM 0 HA SER A 118 7.320 6.994 -5.753 1.00 72.24 H new ATOM 0 HB2 SER A 118 4.788 6.910 -7.445 1.00 22.33 H new ATOM 0 HB3 SER A 118 6.099 8.024 -7.779 1.00 22.33 H new ATOM 0 HG SER A 118 6.259 6.081 -9.026 1.00 62.12 H new ATOM 1051 N GLU A 119 4.466 8.414 -5.067 1.00 13.44 N ATOM 1052 CA GLU A 119 3.858 9.558 -4.445 1.00 10.31 C ATOM 1053 C GLU A 119 4.074 9.500 -2.950 1.00 31.14 C ATOM 1054 O GLU A 119 3.895 10.476 -2.258 1.00 5.40 O ATOM 1055 CB GLU A 119 2.379 9.662 -4.744 1.00 51.25 C ATOM 1056 CG GLU A 119 1.979 9.041 -6.053 1.00 33.33 C ATOM 1057 CD GLU A 119 0.606 9.436 -6.503 1.00 12.24 C ATOM 1058 OE1 GLU A 119 -0.388 8.879 -6.006 1.00 11.12 O ATOM 1059 OE2 GLU A 119 0.498 10.320 -7.375 1.00 23.40 O ATOM 0 H GLU A 119 3.806 7.690 -5.351 1.00 13.44 H new ATOM 0 HA GLU A 119 4.335 10.445 -4.861 1.00 10.31 H new ATOM 0 HB2 GLU A 119 1.821 9.183 -3.940 1.00 51.25 H new ATOM 0 HB3 GLU A 119 2.092 10.714 -4.749 1.00 51.25 H new ATOM 0 HG2 GLU A 119 2.701 9.327 -6.818 1.00 33.33 H new ATOM 0 HG3 GLU A 119 2.025 7.956 -5.961 1.00 33.33 H new ATOM 1066 N HIS A 120 4.377 8.322 -2.462 1.00 64.41 N ATOM 1067 CA HIS A 120 4.572 8.071 -1.044 1.00 33.00 C ATOM 1068 C HIS A 120 5.510 9.105 -0.403 1.00 5.51 C ATOM 1069 O HIS A 120 5.121 9.797 0.443 1.00 55.41 O ATOM 1070 CB HIS A 120 5.105 6.684 -0.846 1.00 53.41 C ATOM 1071 CG HIS A 120 4.791 6.108 0.453 1.00 42.14 C ATOM 1072 ND1 HIS A 120 3.524 5.761 0.852 1.00 13.03 N ATOM 1073 CD2 HIS A 120 5.582 5.842 1.454 1.00 3.41 C ATOM 1074 CE1 HIS A 120 3.589 5.311 2.094 1.00 3.02 C ATOM 1075 NE2 HIS A 120 4.843 5.333 2.525 1.00 21.40 N ATOM 0 H HIS A 120 4.498 7.493 -3.044 1.00 64.41 H new ATOM 0 HA HIS A 120 3.605 8.163 -0.549 1.00 33.00 H new ATOM 0 HB2 HIS A 120 4.703 6.037 -1.625 1.00 53.41 H new ATOM 0 HB3 HIS A 120 6.188 6.701 -0.972 1.00 53.41 H new ATOM 0 HD1 HIS A 120 2.678 5.837 0.288 1.00 13.03 H new ATOM 0 HD2 HIS A 120 6.651 5.993 1.455 1.00 3.41 H new ATOM 0 HE1 HIS A 120 2.742 4.974 2.674 1.00 3.02 H new ATOM 1083 N ASN A 121 6.705 9.219 -0.862 1.00 50.44 N ATOM 1084 CA ASN A 121 7.674 10.231 -0.360 1.00 31.41 C ATOM 1085 C ASN A 121 7.274 11.658 -0.739 1.00 75.12 C ATOM 1086 O ASN A 121 7.821 12.631 -0.257 1.00 54.20 O ATOM 1087 CB ASN A 121 9.102 9.901 -0.761 1.00 21.50 C ATOM 1088 CG ASN A 121 9.310 9.721 -2.235 1.00 13.11 C ATOM 1089 OD1 ASN A 121 8.412 9.387 -2.975 1.00 33.34 O ATOM 1090 ND2 ASN A 121 10.497 9.844 -2.639 1.00 63.02 N ATOM 0 H ASN A 121 7.078 8.626 -1.603 1.00 50.44 H new ATOM 0 HA ASN A 121 7.639 10.185 0.728 1.00 31.41 H new ATOM 0 HB2 ASN A 121 9.758 10.698 -0.409 1.00 21.50 H new ATOM 0 HB3 ASN A 121 9.407 8.988 -0.250 1.00 21.50 H new ATOM 0 HD21 ASN A 121 10.725 9.660 -3.616 1.00 63.02 H new ATOM 0 HD22 ASN A 121 11.230 10.127 -1.989 1.00 63.02 H new ATOM 1097 N LEU A 122 6.391 11.767 -1.663 1.00 73.33 N ATOM 1098 CA LEU A 122 5.883 13.036 -2.078 1.00 41.40 C ATOM 1099 C LEU A 122 4.874 13.567 -1.023 1.00 42.43 C ATOM 1100 O LEU A 122 4.980 14.707 -0.552 1.00 11.24 O ATOM 1101 CB LEU A 122 5.254 12.865 -3.486 1.00 4.20 C ATOM 1102 CG LEU A 122 4.176 13.843 -3.936 1.00 15.12 C ATOM 1103 CD1 LEU A 122 4.690 15.273 -3.949 1.00 63.22 C ATOM 1104 CD2 LEU A 122 3.672 13.459 -5.317 1.00 34.14 C ATOM 0 H LEU A 122 5.992 10.972 -2.162 1.00 73.33 H new ATOM 0 HA LEU A 122 6.676 13.781 -2.149 1.00 41.40 H new ATOM 0 HB2 LEU A 122 6.063 12.908 -4.215 1.00 4.20 H new ATOM 0 HB3 LEU A 122 4.831 11.862 -3.538 1.00 4.20 H new ATOM 0 HG LEU A 122 3.355 13.790 -3.221 1.00 15.12 H new ATOM 0 HD11 LEU A 122 3.894 15.943 -4.275 1.00 63.22 H new ATOM 0 HD12 LEU A 122 5.012 15.553 -2.946 1.00 63.22 H new ATOM 0 HD13 LEU A 122 5.533 15.350 -4.635 1.00 63.22 H new ATOM 0 HD21 LEU A 122 2.902 14.163 -5.632 1.00 34.14 H new ATOM 0 HD22 LEU A 122 4.499 13.485 -6.026 1.00 34.14 H new ATOM 0 HD23 LEU A 122 3.253 12.453 -5.285 1.00 34.14 H new ATOM 1116 N LYS A 123 3.911 12.742 -0.677 1.00 61.11 N ATOM 1117 CA LYS A 123 2.852 13.126 0.254 1.00 21.05 C ATOM 1118 C LYS A 123 2.942 12.476 1.637 1.00 52.42 C ATOM 1119 O LYS A 123 2.721 13.117 2.658 1.00 10.44 O ATOM 1120 CB LYS A 123 1.467 12.956 -0.388 1.00 25.34 C ATOM 1121 CG LYS A 123 1.408 11.966 -1.541 1.00 72.42 C ATOM 1122 CD LYS A 123 0.083 12.040 -2.288 1.00 12.12 C ATOM 1123 CE LYS A 123 -1.106 11.837 -1.359 1.00 51.32 C ATOM 1124 NZ LYS A 123 -2.397 11.894 -2.072 1.00 23.53 N ATOM 0 H LYS A 123 3.832 11.787 -1.027 1.00 61.11 H new ATOM 0 HA LYS A 123 3.009 14.186 0.455 1.00 21.05 H new ATOM 0 HB2 LYS A 123 0.764 12.637 0.381 1.00 25.34 H new ATOM 0 HB3 LYS A 123 1.128 13.928 -0.746 1.00 25.34 H new ATOM 0 HG2 LYS A 123 2.226 12.166 -2.233 1.00 72.42 H new ATOM 0 HG3 LYS A 123 1.553 10.955 -1.159 1.00 72.42 H new ATOM 0 HD2 LYS A 123 -0.002 13.009 -2.780 1.00 12.12 H new ATOM 0 HD3 LYS A 123 0.065 11.282 -3.071 1.00 12.12 H new ATOM 0 HE2 LYS A 123 -1.013 10.872 -0.860 1.00 51.32 H new ATOM 0 HE3 LYS A 123 -1.090 12.601 -0.582 1.00 51.32 H new ATOM 0 HZ1 LYS A 123 -3.111 11.356 -1.541 1.00 23.53 H new ATOM 0 HZ2 LYS A 123 -2.703 12.884 -2.158 1.00 23.53 H new ATOM 0 HZ3 LYS A 123 -2.288 11.482 -3.021 1.00 23.53 H new ATOM 1138 N TYR A 124 3.267 11.224 1.641 1.00 4.12 N ATOM 1139 CA TYR A 124 3.296 10.386 2.857 1.00 1.22 C ATOM 1140 C TYR A 124 4.601 10.577 3.627 1.00 62.31 C ATOM 1141 O TYR A 124 4.585 10.807 4.830 1.00 62.35 O ATOM 1142 CB TYR A 124 3.136 8.907 2.488 1.00 62.02 C ATOM 1143 CG TYR A 124 1.822 8.525 1.830 1.00 45.45 C ATOM 1144 CD1 TYR A 124 1.422 9.112 0.646 1.00 55.05 C ATOM 1145 CD2 TYR A 124 1.010 7.556 2.378 1.00 13.14 C ATOM 1146 CE1 TYR A 124 0.255 8.764 0.035 1.00 14.24 C ATOM 1147 CE2 TYR A 124 -0.164 7.195 1.767 1.00 21.35 C ATOM 1148 CZ TYR A 124 -0.537 7.803 0.595 1.00 70.13 C ATOM 1149 OH TYR A 124 -1.726 7.476 0.002 1.00 5.14 O ATOM 0 H TYR A 124 3.530 10.718 0.795 1.00 4.12 H new ATOM 0 HA TYR A 124 2.466 10.696 3.493 1.00 1.22 H new ATOM 0 HB2 TYR A 124 3.950 8.630 1.818 1.00 62.02 H new ATOM 0 HB3 TYR A 124 3.253 8.312 3.394 1.00 62.02 H new ATOM 0 HD1 TYR A 124 2.049 9.865 0.193 1.00 55.05 H new ATOM 0 HD2 TYR A 124 1.301 7.075 3.300 1.00 13.14 H new ATOM 0 HE1 TYR A 124 -0.041 9.245 -0.886 1.00 14.24 H new ATOM 0 HE2 TYR A 124 -0.792 6.435 2.207 1.00 21.35 H new ATOM 0 HH TYR A 124 -2.372 7.210 0.689 1.00 5.14 H new ATOM 1159 N HIS A 125 5.735 10.447 2.935 1.00 51.11 N ATOM 1160 CA HIS A 125 7.055 10.728 3.559 1.00 22.34 C ATOM 1161 C HIS A 125 7.704 11.939 2.872 1.00 41.33 C ATOM 1162 O HIS A 125 8.664 11.779 2.167 1.00 72.22 O ATOM 1163 CB HIS A 125 8.045 9.537 3.438 1.00 4.50 C ATOM 1164 CG HIS A 125 7.702 8.247 4.118 1.00 52.23 C ATOM 1165 ND1 HIS A 125 8.356 7.751 5.227 1.00 74.21 N ATOM 1166 CD2 HIS A 125 6.874 7.289 3.725 1.00 13.32 C ATOM 1167 CE1 HIS A 125 7.910 6.515 5.458 1.00 24.41 C ATOM 1168 NE2 HIS A 125 6.985 6.156 4.544 1.00 14.02 N ATOM 0 H HIS A 125 5.780 10.155 1.959 1.00 51.11 H new ATOM 0 HA HIS A 125 6.863 10.915 4.615 1.00 22.34 H new ATOM 0 HB2 HIS A 125 8.181 9.326 2.377 1.00 4.50 H new ATOM 0 HB3 HIS A 125 9.009 9.868 3.823 1.00 4.50 H new ATOM 0 HD1 HIS A 125 9.060 8.245 5.776 1.00 74.21 H new ATOM 0 HD2 HIS A 125 6.202 7.371 2.884 1.00 13.32 H new ATOM 0 HE1 HIS A 125 8.245 5.885 6.269 1.00 24.41 H new ATOM 0 HE2 HIS A 125 6.485 5.270 4.467 1.00 14.02 H new ATOM 1176 N PRO A 126 7.166 13.143 3.039 1.00 72.44 N ATOM 1177 CA PRO A 126 7.665 14.337 2.349 1.00 51.12 C ATOM 1178 C PRO A 126 8.991 14.880 2.896 1.00 12.24 C ATOM 1179 O PRO A 126 9.253 14.834 4.116 1.00 32.25 O ATOM 1180 CB PRO A 126 6.550 15.340 2.578 1.00 41.14 C ATOM 1181 CG PRO A 126 5.977 14.926 3.882 1.00 41.33 C ATOM 1182 CD PRO A 126 6.031 13.448 3.884 1.00 11.21 C ATOM 0 HA PRO A 126 7.890 14.122 1.304 1.00 51.12 H new ATOM 0 HB2 PRO A 126 6.929 16.361 2.612 1.00 41.14 H new ATOM 0 HB3 PRO A 126 5.806 15.302 1.782 1.00 41.14 H new ATOM 0 HG2 PRO A 126 6.549 15.341 4.712 1.00 41.33 H new ATOM 0 HG3 PRO A 126 4.953 15.282 3.992 1.00 41.33 H new ATOM 0 HD2 PRO A 126 6.165 13.054 4.891 1.00 11.21 H new ATOM 0 HD3 PRO A 126 5.112 13.014 3.491 1.00 11.21 H new ATOM 1190 N GLY A 127 9.800 15.404 1.993 1.00 33.42 N ATOM 1191 CA GLY A 127 11.068 15.991 2.338 1.00 63.12 C ATOM 1192 C GLY A 127 12.050 15.933 1.183 1.00 31.31 C ATOM 1193 O GLY A 127 12.763 16.901 0.908 1.00 12.44 O ATOM 0 H GLY A 127 9.588 15.431 0.996 1.00 33.42 H new ATOM 0 HA2 GLY A 127 10.919 17.029 2.636 1.00 63.12 H new ATOM 0 HA3 GLY A 127 11.488 15.469 3.198 1.00 63.12 H new ATOM 1197 N GLU A 128 12.060 14.812 0.499 1.00 43.01 N ATOM 1198 CA GLU A 128 12.957 14.563 -0.613 1.00 53.41 C ATOM 1199 C GLU A 128 12.343 13.483 -1.461 1.00 70.21 C ATOM 1200 O GLU A 128 11.286 12.946 -1.093 1.00 51.30 O ATOM 1201 CB GLU A 128 14.366 14.179 -0.089 1.00 44.32 C ATOM 1202 CG GLU A 128 14.418 12.936 0.795 1.00 41.41 C ATOM 1203 CD GLU A 128 14.821 11.684 0.055 1.00 71.10 C ATOM 1204 OE1 GLU A 128 13.966 10.993 -0.498 1.00 41.33 O ATOM 1205 OE2 GLU A 128 16.028 11.397 -0.003 1.00 63.10 O ATOM 0 H GLU A 128 11.435 14.032 0.701 1.00 43.01 H new ATOM 0 HA GLU A 128 13.091 15.457 -1.222 1.00 53.41 H new ATOM 0 HB2 GLU A 128 15.024 14.024 -0.944 1.00 44.32 H new ATOM 0 HB3 GLU A 128 14.768 15.022 0.474 1.00 44.32 H new ATOM 0 HG2 GLU A 128 15.122 13.109 1.609 1.00 41.41 H new ATOM 0 HG3 GLU A 128 13.439 12.781 1.247 1.00 41.41 H new ATOM 1212 N GLU A 129 12.940 13.165 -2.580 1.00 45.42 N ATOM 1213 CA GLU A 129 12.382 12.133 -3.395 1.00 1.23 C ATOM 1214 C GLU A 129 13.469 11.206 -3.879 1.00 5.03 C ATOM 1215 O GLU A 129 14.085 11.438 -4.925 1.00 64.35 O ATOM 1216 CB GLU A 129 11.656 12.779 -4.559 1.00 23.40 C ATOM 1217 CG GLU A 129 10.931 11.831 -5.489 1.00 11.12 C ATOM 1218 CD GLU A 129 10.160 12.577 -6.545 1.00 74.52 C ATOM 1219 OE1 GLU A 129 10.748 12.961 -7.571 1.00 0.00 O ATOM 1220 OE2 GLU A 129 8.948 12.816 -6.362 1.00 11.25 O ATOM 0 H GLU A 129 13.792 13.597 -2.937 1.00 45.42 H new ATOM 0 HA GLU A 129 11.676 11.537 -2.817 1.00 1.23 H new ATOM 0 HB2 GLU A 129 10.934 13.492 -4.162 1.00 23.40 H new ATOM 0 HB3 GLU A 129 12.379 13.349 -5.143 1.00 23.40 H new ATOM 0 HG2 GLU A 129 11.651 11.165 -5.965 1.00 11.12 H new ATOM 0 HG3 GLU A 129 10.249 11.205 -4.913 1.00 11.12 H new ATOM 1227 N ASN A 130 13.716 10.160 -3.106 1.00 43.10 N ATOM 1228 CA ASN A 130 14.747 9.177 -3.403 1.00 24.41 C ATOM 1229 C ASN A 130 14.372 7.846 -2.786 1.00 11.22 C ATOM 1230 O ASN A 130 14.624 7.590 -1.611 1.00 32.44 O ATOM 1231 CB ASN A 130 16.099 9.618 -2.804 1.00 31.14 C ATOM 1232 CG ASN A 130 16.604 10.930 -3.357 1.00 63.33 C ATOM 1233 OD1 ASN A 130 16.175 12.001 -2.741 1.00 74.10 O flip ATOM 1234 ND2 ASN A 130 17.366 10.975 -4.337 1.00 44.21 N flip ATOM 0 H ASN A 130 13.202 9.967 -2.246 1.00 43.10 H new ATOM 0 HA ASN A 130 14.834 9.088 -4.486 1.00 24.41 H new ATOM 0 HB2 ASN A 130 15.997 9.704 -1.722 1.00 31.14 H new ATOM 0 HB3 ASN A 130 16.842 8.843 -2.994 1.00 31.14 H new ATOM 0 HD21 ASN A 130 17.673 10.111 -4.784 1.00 44.21 H new ATOM 0 HD22 ASN A 130 17.684 11.876 -4.695 1.00 44.21 H new ATOM 1241 N PHE A 131 13.741 7.027 -3.554 1.00 2.41 N ATOM 1242 CA PHE A 131 13.363 5.708 -3.111 1.00 73.24 C ATOM 1243 C PHE A 131 14.281 4.665 -3.735 1.00 13.12 C ATOM 1244 O PHE A 131 14.760 4.844 -4.861 1.00 30.25 O ATOM 1245 CB PHE A 131 11.908 5.412 -3.466 1.00 41.33 C ATOM 1246 CG PHE A 131 10.933 5.467 -2.313 1.00 2.31 C ATOM 1247 CD1 PHE A 131 10.905 4.460 -1.374 1.00 30.34 C ATOM 1248 CD2 PHE A 131 9.995 6.470 -2.221 1.00 22.12 C ATOM 1249 CE1 PHE A 131 9.964 4.450 -0.369 1.00 25.51 C ATOM 1250 CE2 PHE A 131 9.061 6.473 -1.197 1.00 24.11 C ATOM 1251 CZ PHE A 131 9.045 5.458 -0.280 1.00 10.10 C ATOM 0 H PHE A 131 13.466 7.243 -4.512 1.00 2.41 H new ATOM 0 HA PHE A 131 13.464 5.667 -2.026 1.00 73.24 H new ATOM 0 HB2 PHE A 131 11.586 6.124 -4.226 1.00 41.33 H new ATOM 0 HB3 PHE A 131 11.856 4.420 -3.916 1.00 41.33 H new ATOM 0 HD1 PHE A 131 11.634 3.665 -1.427 1.00 30.34 H new ATOM 0 HD2 PHE A 131 9.987 7.263 -2.954 1.00 22.12 H new ATOM 0 HE1 PHE A 131 9.952 3.644 0.350 1.00 25.51 H new ATOM 0 HE2 PHE A 131 8.345 7.278 -1.123 1.00 24.11 H new ATOM 0 HZ PHE A 131 8.309 5.453 0.511 1.00 10.10 H new ATOM 1261 N LYS A 132 14.544 3.616 -3.017 1.00 50.33 N ATOM 1262 CA LYS A 132 15.381 2.539 -3.486 1.00 25.30 C ATOM 1263 C LYS A 132 14.499 1.299 -3.633 1.00 53.44 C ATOM 1264 O LYS A 132 13.430 1.257 -3.060 1.00 75.13 O ATOM 1265 CB LYS A 132 16.490 2.254 -2.460 1.00 70.24 C ATOM 1266 CG LYS A 132 16.153 1.157 -1.469 1.00 63.23 C ATOM 1267 CD LYS A 132 17.306 0.819 -0.581 1.00 61.11 C ATOM 1268 CE LYS A 132 17.058 -0.519 0.074 1.00 21.11 C ATOM 1269 NZ LYS A 132 18.154 -0.925 0.975 1.00 3.50 N ATOM 0 H LYS A 132 14.181 3.476 -2.074 1.00 50.33 H new ATOM 0 HA LYS A 132 15.843 2.804 -4.437 1.00 25.30 H new ATOM 0 HB2 LYS A 132 17.401 1.980 -2.993 1.00 70.24 H new ATOM 0 HB3 LYS A 132 16.706 3.171 -1.911 1.00 70.24 H new ATOM 0 HG2 LYS A 132 15.307 1.470 -0.858 1.00 63.23 H new ATOM 0 HG3 LYS A 132 15.841 0.264 -2.011 1.00 63.23 H new ATOM 0 HD2 LYS A 132 18.229 0.787 -1.160 1.00 61.11 H new ATOM 0 HD3 LYS A 132 17.433 1.590 0.179 1.00 61.11 H new ATOM 0 HE2 LYS A 132 16.127 -0.475 0.639 1.00 21.11 H new ATOM 0 HE3 LYS A 132 16.928 -1.278 -0.698 1.00 21.11 H new ATOM 0 HZ1 LYS A 132 17.932 -1.849 1.397 1.00 3.50 H new ATOM 0 HZ2 LYS A 132 19.040 -0.995 0.435 1.00 3.50 H new ATOM 0 HZ3 LYS A 132 18.264 -0.217 1.729 1.00 3.50 H new ATOM 1283 N LEU A 133 14.958 0.294 -4.321 1.00 11.14 N ATOM 1284 CA LEU A 133 14.161 -0.890 -4.515 1.00 31.31 C ATOM 1285 C LEU A 133 14.950 -2.109 -4.097 1.00 34.23 C ATOM 1286 O LEU A 133 16.110 -2.284 -4.491 1.00 22.33 O ATOM 1287 CB LEU A 133 13.645 -1.041 -5.967 1.00 62.55 C ATOM 1288 CG LEU A 133 14.696 -1.117 -7.090 1.00 55.03 C ATOM 1289 CD1 LEU A 133 14.071 -1.716 -8.339 1.00 31.13 C ATOM 1290 CD2 LEU A 133 15.233 0.269 -7.430 1.00 71.15 C ATOM 0 H LEU A 133 15.879 0.267 -4.758 1.00 11.14 H new ATOM 0 HA LEU A 133 13.276 -0.792 -3.887 1.00 31.31 H new ATOM 0 HB2 LEU A 133 13.035 -1.943 -6.015 1.00 62.55 H new ATOM 0 HB3 LEU A 133 12.986 -0.199 -6.179 1.00 62.55 H new ATOM 0 HG LEU A 133 15.518 -1.742 -6.740 1.00 55.03 H new ATOM 0 HD11 LEU A 133 14.818 -1.768 -9.131 1.00 31.13 H new ATOM 0 HD12 LEU A 133 13.706 -2.719 -8.118 1.00 31.13 H new ATOM 0 HD13 LEU A 133 13.239 -1.091 -8.665 1.00 31.13 H new ATOM 0 HD21 LEU A 133 15.973 0.187 -8.226 1.00 71.15 H new ATOM 0 HD22 LEU A 133 14.413 0.906 -7.762 1.00 71.15 H new ATOM 0 HD23 LEU A 133 15.697 0.706 -6.546 1.00 71.15 H new ATOM 1302 N THR A 134 14.355 -2.916 -3.281 1.00 15.13 N ATOM 1303 CA THR A 134 14.972 -4.101 -2.789 1.00 50.13 C ATOM 1304 C THR A 134 13.933 -5.228 -2.807 1.00 61.23 C ATOM 1305 O THR A 134 12.840 -5.046 -2.331 1.00 41.01 O ATOM 1306 CB THR A 134 15.546 -3.854 -1.351 1.00 1.25 C ATOM 1307 OG1 THR A 134 16.185 -5.021 -0.836 1.00 75.14 O ATOM 1308 CG2 THR A 134 14.483 -3.348 -0.366 1.00 74.33 C ATOM 0 H THR A 134 13.408 -2.766 -2.932 1.00 15.13 H new ATOM 0 HA THR A 134 15.813 -4.388 -3.421 1.00 50.13 H new ATOM 0 HB THR A 134 16.291 -3.066 -1.455 1.00 1.25 H new ATOM 0 HG1 THR A 134 16.534 -4.834 0.061 1.00 75.14 H new ATOM 0 HG21 THR A 134 14.938 -3.195 0.613 1.00 74.33 H new ATOM 0 HG22 THR A 134 14.072 -2.405 -0.727 1.00 74.33 H new ATOM 0 HG23 THR A 134 13.684 -4.084 -0.283 1.00 74.33 H new ATOM 1316 N MET A 135 14.217 -6.368 -3.398 1.00 31.32 N ATOM 1317 CA MET A 135 13.171 -7.366 -3.401 1.00 75.11 C ATOM 1318 C MET A 135 13.463 -8.337 -2.314 1.00 23.33 C ATOM 1319 O MET A 135 14.345 -9.200 -2.454 1.00 70.25 O ATOM 1320 CB MET A 135 13.163 -8.170 -4.726 1.00 50.31 C ATOM 1321 CG MET A 135 13.587 -7.415 -5.974 1.00 40.34 C ATOM 1322 SD MET A 135 15.361 -7.032 -6.044 1.00 61.21 S ATOM 1323 CE MET A 135 15.433 -6.074 -7.564 1.00 63.24 C ATOM 0 H MET A 135 15.096 -6.617 -3.852 1.00 31.32 H new ATOM 0 HA MET A 135 12.213 -6.862 -3.274 1.00 75.11 H new ATOM 0 HB2 MET A 135 13.820 -9.031 -4.607 1.00 50.31 H new ATOM 0 HB3 MET A 135 12.156 -8.557 -4.885 1.00 50.31 H new ATOM 0 HG2 MET A 135 13.319 -8.005 -6.851 1.00 40.34 H new ATOM 0 HG3 MET A 135 13.023 -6.484 -6.031 1.00 40.34 H new ATOM 0 HE1 MET A 135 16.461 -5.762 -7.749 1.00 63.24 H new ATOM 0 HE2 MET A 135 15.084 -6.685 -8.396 1.00 63.24 H new ATOM 0 HE3 MET A 135 14.798 -5.193 -7.469 1.00 63.24 H new ATOM 1333 N VAL A 136 12.735 -8.225 -1.251 1.00 10.41 N ATOM 1334 CA VAL A 136 12.786 -9.150 -0.159 1.00 3.14 C ATOM 1335 C VAL A 136 11.439 -9.216 0.509 1.00 62.10 C ATOM 1336 O VAL A 136 11.066 -8.293 1.142 1.00 22.52 O ATOM 1337 CB VAL A 136 13.908 -8.795 0.899 1.00 40.24 C ATOM 1338 CG1 VAL A 136 15.249 -9.395 0.497 1.00 42.13 C ATOM 1339 CG2 VAL A 136 14.067 -7.276 1.044 1.00 22.42 C ATOM 0 H VAL A 136 12.068 -7.466 -1.112 1.00 10.41 H new ATOM 0 HA VAL A 136 13.047 -10.124 -0.572 1.00 3.14 H new ATOM 0 HB VAL A 136 13.595 -9.218 1.853 1.00 40.24 H new ATOM 0 HG11 VAL A 136 16.002 -9.135 1.242 1.00 42.13 H new ATOM 0 HG12 VAL A 136 15.159 -10.479 0.435 1.00 42.13 H new ATOM 0 HG13 VAL A 136 15.548 -9.000 -0.474 1.00 42.13 H new ATOM 0 HG21 VAL A 136 14.844 -7.060 1.777 1.00 22.42 H new ATOM 0 HG22 VAL A 136 14.346 -6.846 0.082 1.00 22.42 H new ATOM 0 HG23 VAL A 136 13.124 -6.842 1.376 1.00 22.42 H new ATOM 1349 N LYS A 137 10.704 -10.244 0.397 1.00 10.05 N ATOM 1350 CA LYS A 137 9.508 -10.293 1.192 1.00 33.21 C ATOM 1351 C LYS A 137 9.369 -11.671 1.719 1.00 34.20 C ATOM 1352 O LYS A 137 9.317 -12.635 0.954 1.00 61.12 O ATOM 1353 CB LYS A 137 8.289 -9.823 0.448 1.00 2.30 C ATOM 1354 CG LYS A 137 7.140 -9.341 1.327 1.00 34.32 C ATOM 1355 CD LYS A 137 7.495 -7.981 1.954 1.00 41.44 C ATOM 1356 CE LYS A 137 6.293 -7.255 2.563 1.00 50.41 C ATOM 1357 NZ LYS A 137 5.981 -7.723 3.934 1.00 13.14 N ATOM 0 H LYS A 137 10.880 -11.046 -0.208 1.00 10.05 H new ATOM 0 HA LYS A 137 9.595 -9.593 2.023 1.00 33.21 H new ATOM 0 HB2 LYS A 137 8.580 -9.012 -0.219 1.00 2.30 H new ATOM 0 HB3 LYS A 137 7.929 -10.638 -0.179 1.00 2.30 H new ATOM 0 HG2 LYS A 137 6.230 -9.251 0.734 1.00 34.32 H new ATOM 0 HG3 LYS A 137 6.939 -10.071 2.111 1.00 34.32 H new ATOM 0 HD2 LYS A 137 8.248 -8.132 2.728 1.00 41.44 H new ATOM 0 HD3 LYS A 137 7.945 -7.345 1.192 1.00 41.44 H new ATOM 0 HE2 LYS A 137 6.493 -6.184 2.585 1.00 50.41 H new ATOM 0 HE3 LYS A 137 5.422 -7.403 1.925 1.00 50.41 H new ATOM 0 HZ1 LYS A 137 5.737 -6.908 4.532 1.00 13.14 H new ATOM 0 HZ2 LYS A 137 5.177 -8.382 3.901 1.00 13.14 H new ATOM 0 HZ3 LYS A 137 6.810 -8.208 4.332 1.00 13.14 H new ATOM 1371 N ARG A 138 9.323 -11.786 2.992 1.00 41.14 N ATOM 1372 CA ARG A 138 9.382 -13.063 3.612 1.00 12.32 C ATOM 1373 C ARG A 138 8.096 -13.322 4.356 1.00 12.24 C ATOM 1374 O ARG A 138 7.428 -12.381 4.757 1.00 21.12 O ATOM 1375 CB ARG A 138 10.616 -13.151 4.540 1.00 40.33 C ATOM 1376 CG ARG A 138 11.977 -12.891 3.835 1.00 33.15 C ATOM 1377 CD ARG A 138 12.249 -11.394 3.545 1.00 44.14 C ATOM 1378 NE ARG A 138 12.362 -10.564 4.770 1.00 42.32 N ATOM 1379 CZ ARG A 138 12.230 -9.206 4.824 1.00 63.34 C ATOM 1380 NH1 ARG A 138 11.853 -8.512 3.752 1.00 3.02 N ATOM 1381 NH2 ARG A 138 12.452 -8.566 5.961 1.00 61.12 N ATOM 0 H ARG A 138 9.243 -11.001 3.638 1.00 41.14 H new ATOM 0 HA ARG A 138 9.493 -13.837 2.853 1.00 12.32 H new ATOM 0 HB2 ARG A 138 10.498 -12.430 5.349 1.00 40.33 H new ATOM 0 HB3 ARG A 138 10.641 -14.141 4.996 1.00 40.33 H new ATOM 0 HG2 ARG A 138 12.780 -13.284 4.458 1.00 33.15 H new ATOM 0 HG3 ARG A 138 12.002 -13.445 2.896 1.00 33.15 H new ATOM 0 HD2 ARG A 138 13.170 -11.305 2.970 1.00 44.14 H new ATOM 0 HD3 ARG A 138 11.445 -11.001 2.922 1.00 44.14 H new ATOM 0 HE ARG A 138 12.555 -11.049 5.646 1.00 42.32 H new ATOM 0 HH11 ARG A 138 11.658 -8.994 2.875 1.00 3.02 H new ATOM 0 HH12 ARG A 138 11.759 -7.498 3.808 1.00 3.02 H new ATOM 0 HH21 ARG A 138 12.721 -9.087 6.795 1.00 61.12 H new ATOM 0 HH22 ARG A 138 12.354 -7.552 6.003 1.00 61.12 H new ATOM 1395 N ASN A 139 7.714 -14.584 4.468 1.00 64.12 N ATOM 1396 CA ASN A 139 6.476 -15.005 5.164 1.00 22.04 C ATOM 1397 C ASN A 139 5.209 -14.483 4.485 1.00 43.00 C ATOM 1398 O ASN A 139 4.126 -14.481 5.076 1.00 43.15 O ATOM 1399 CB ASN A 139 6.485 -14.609 6.659 1.00 12.53 C ATOM 1400 CG ASN A 139 7.465 -15.408 7.486 1.00 52.24 C ATOM 1401 OD1 ASN A 139 8.645 -15.036 7.631 1.00 65.12 O ATOM 1402 ND2 ASN A 139 6.998 -16.497 8.045 1.00 1.43 N ATOM 0 H ASN A 139 8.248 -15.362 4.081 1.00 64.12 H new ATOM 0 HA ASN A 139 6.460 -16.093 5.099 1.00 22.04 H new ATOM 0 HB2 ASN A 139 6.727 -13.550 6.745 1.00 12.53 H new ATOM 0 HB3 ASN A 139 5.483 -14.741 7.068 1.00 12.53 H new ATOM 0 HD21 ASN A 139 7.607 -17.075 8.624 1.00 1.43 H new ATOM 0 HD22 ASN A 139 6.025 -16.767 7.901 1.00 1.43 H new ATOM 1409 N ASN A 140 5.330 -14.071 3.247 1.00 54.33 N ATOM 1410 CA ASN A 140 4.194 -13.558 2.496 1.00 54.23 C ATOM 1411 C ASN A 140 4.273 -14.071 1.070 1.00 34.13 C ATOM 1412 O ASN A 140 3.758 -15.142 0.749 1.00 12.24 O ATOM 1413 CB ASN A 140 4.142 -12.001 2.471 1.00 42.10 C ATOM 1414 CG ASN A 140 3.951 -11.315 3.805 1.00 43.52 C ATOM 1415 OD1 ASN A 140 2.836 -11.092 4.242 1.00 11.42 O ATOM 1416 ND2 ASN A 140 5.035 -10.925 4.434 1.00 55.12 N ATOM 0 H ASN A 140 6.208 -14.078 2.728 1.00 54.33 H new ATOM 0 HA ASN A 140 3.289 -13.907 2.994 1.00 54.23 H new ATOM 0 HB2 ASN A 140 5.068 -11.635 2.028 1.00 42.10 H new ATOM 0 HB3 ASN A 140 3.330 -11.696 1.810 1.00 42.10 H new ATOM 0 HD21 ASN A 140 4.958 -10.419 5.316 1.00 55.12 H new ATOM 0 HD22 ASN A 140 5.954 -11.128 4.041 1.00 55.12 H new ATOM 1423 N GLN A 141 4.986 -13.335 0.258 1.00 32.32 N ATOM 1424 CA GLN A 141 5.233 -13.618 -1.131 1.00 12.13 C ATOM 1425 C GLN A 141 6.436 -12.812 -1.467 1.00 64.23 C ATOM 1426 O GLN A 141 6.799 -11.977 -0.665 1.00 55.34 O ATOM 1427 CB GLN A 141 4.072 -13.175 -2.038 1.00 63.41 C ATOM 1428 CG GLN A 141 3.844 -11.677 -2.229 1.00 34.01 C ATOM 1429 CD GLN A 141 3.301 -10.968 -1.024 1.00 45.52 C ATOM 1430 OE1 GLN A 141 4.167 -10.424 -0.235 1.00 25.41 O flip ATOM 1431 NE2 GLN A 141 2.113 -10.874 -0.829 1.00 3.31 N flip ATOM 0 H GLN A 141 5.435 -12.473 0.567 1.00 32.32 H new ATOM 0 HA GLN A 141 5.355 -14.690 -1.287 1.00 12.13 H new ATOM 0 HB2 GLN A 141 4.229 -13.617 -3.022 1.00 63.41 H new ATOM 0 HB3 GLN A 141 3.153 -13.605 -1.639 1.00 63.41 H new ATOM 0 HG2 GLN A 141 4.789 -11.213 -2.512 1.00 34.01 H new ATOM 0 HG3 GLN A 141 3.155 -11.531 -3.061 1.00 34.01 H new ATOM 0 HE21 GLN A 141 1.454 -11.315 -1.471 1.00 3.31 H new ATOM 0 HE22 GLN A 141 1.768 -10.353 -0.022 1.00 3.31 H new ATOM 1440 N THR A 142 7.026 -12.993 -2.602 1.00 62.33 N ATOM 1441 CA THR A 142 8.174 -12.207 -2.936 1.00 61.34 C ATOM 1442 C THR A 142 7.819 -11.027 -3.851 1.00 14.50 C ATOM 1443 O THR A 142 7.424 -11.181 -5.007 1.00 62.10 O ATOM 1444 CB THR A 142 9.340 -13.067 -3.433 1.00 3.41 C ATOM 1445 OG1 THR A 142 8.835 -14.157 -4.234 1.00 42.53 O ATOM 1446 CG2 THR A 142 10.151 -13.612 -2.241 1.00 74.23 C ATOM 0 H THR A 142 6.739 -13.670 -3.309 1.00 62.33 H new ATOM 0 HA THR A 142 8.539 -11.749 -2.016 1.00 61.34 H new ATOM 0 HB THR A 142 9.999 -12.451 -4.045 1.00 3.41 H new ATOM 0 HG1 THR A 142 9.584 -14.704 -4.552 1.00 42.53 H new ATOM 0 HG21 THR A 142 10.976 -14.221 -2.610 1.00 74.23 H new ATOM 0 HG22 THR A 142 10.547 -12.780 -1.659 1.00 74.23 H new ATOM 0 HG23 THR A 142 9.505 -14.221 -1.609 1.00 74.23 H new ATOM 1454 N ILE A 143 7.932 -9.865 -3.265 1.00 34.24 N ATOM 1455 CA ILE A 143 7.534 -8.579 -3.795 1.00 2.42 C ATOM 1456 C ILE A 143 8.623 -7.543 -3.541 1.00 51.53 C ATOM 1457 O ILE A 143 9.460 -7.747 -2.654 1.00 64.25 O ATOM 1458 CB ILE A 143 6.128 -8.105 -3.322 1.00 51.30 C ATOM 1459 CG1 ILE A 143 5.972 -8.211 -1.838 1.00 53.30 C ATOM 1460 CG2 ILE A 143 5.005 -8.826 -4.024 1.00 60.32 C ATOM 1461 CD1 ILE A 143 6.622 -7.084 -1.123 1.00 14.42 C ATOM 0 H ILE A 143 8.336 -9.782 -2.332 1.00 34.24 H new ATOM 0 HA ILE A 143 7.422 -8.701 -4.872 1.00 2.42 H new ATOM 0 HB ILE A 143 6.062 -7.052 -3.597 1.00 51.30 H new ATOM 0 HG12 ILE A 143 4.912 -8.235 -1.587 1.00 53.30 H new ATOM 0 HG13 ILE A 143 6.402 -9.152 -1.496 1.00 53.30 H new ATOM 0 HG21 ILE A 143 4.048 -8.456 -3.655 1.00 60.32 H new ATOM 0 HG22 ILE A 143 5.073 -8.649 -5.097 1.00 60.32 H new ATOM 0 HG23 ILE A 143 5.080 -9.895 -3.828 1.00 60.32 H new ATOM 0 HD11 ILE A 143 6.482 -7.205 -0.049 1.00 14.42 H new ATOM 0 HD12 ILE A 143 7.688 -7.075 -1.351 1.00 14.42 H new ATOM 0 HD13 ILE A 143 6.174 -6.143 -1.443 1.00 14.42 H new ATOM 1473 N PHE A 144 8.652 -6.487 -4.320 1.00 43.31 N ATOM 1474 CA PHE A 144 9.738 -5.532 -4.259 1.00 51.13 C ATOM 1475 C PHE A 144 9.405 -4.490 -3.214 1.00 31.42 C ATOM 1476 O PHE A 144 8.343 -3.859 -3.249 1.00 3.12 O ATOM 1477 CB PHE A 144 9.817 -4.744 -5.576 1.00 62.12 C ATOM 1478 CG PHE A 144 10.118 -5.506 -6.829 1.00 3.13 C ATOM 1479 CD1 PHE A 144 9.133 -6.196 -7.514 1.00 53.45 C ATOM 1480 CD2 PHE A 144 11.382 -5.476 -7.344 1.00 1.25 C ATOM 1481 CE1 PHE A 144 9.426 -6.849 -8.700 1.00 23.13 C ATOM 1482 CE2 PHE A 144 11.689 -6.130 -8.523 1.00 2.45 C ATOM 1483 CZ PHE A 144 10.709 -6.815 -9.201 1.00 64.24 C ATOM 0 H PHE A 144 7.932 -6.265 -5.008 1.00 43.31 H new ATOM 0 HA PHE A 144 10.660 -6.075 -4.050 1.00 51.13 H new ATOM 0 HB2 PHE A 144 8.866 -4.231 -5.717 1.00 62.12 H new ATOM 0 HB3 PHE A 144 10.580 -3.975 -5.461 1.00 62.12 H new ATOM 0 HD1 PHE A 144 8.128 -6.226 -7.121 1.00 53.45 H new ATOM 0 HD2 PHE A 144 12.155 -4.932 -6.822 1.00 1.25 H new ATOM 0 HE1 PHE A 144 8.651 -7.383 -9.230 1.00 23.13 H new ATOM 0 HE2 PHE A 144 12.697 -6.103 -8.910 1.00 2.45 H new ATOM 0 HZ PHE A 144 10.944 -7.325 -10.124 1.00 64.24 H new ATOM 1493 N GLU A 145 10.304 -4.332 -2.287 1.00 70.54 N ATOM 1494 CA GLU A 145 10.154 -3.403 -1.233 1.00 2.20 C ATOM 1495 C GLU A 145 10.877 -2.138 -1.632 1.00 4.23 C ATOM 1496 O GLU A 145 11.946 -2.190 -2.250 1.00 24.33 O ATOM 1497 CB GLU A 145 10.715 -3.958 0.094 1.00 42.44 C ATOM 1498 CG GLU A 145 10.189 -5.322 0.504 1.00 44.14 C ATOM 1499 CD GLU A 145 10.322 -5.573 2.021 1.00 12.21 C ATOM 1500 OE1 GLU A 145 11.441 -5.866 2.515 1.00 72.15 O ATOM 1501 OE2 GLU A 145 9.296 -5.451 2.763 1.00 52.53 O ATOM 0 H GLU A 145 11.175 -4.861 -2.252 1.00 70.54 H new ATOM 0 HA GLU A 145 9.096 -3.203 -1.065 1.00 2.20 H new ATOM 0 HB2 GLU A 145 11.801 -4.015 0.014 1.00 42.44 H new ATOM 0 HB3 GLU A 145 10.491 -3.247 0.889 1.00 42.44 H new ATOM 0 HG2 GLU A 145 9.141 -5.406 0.215 1.00 44.14 H new ATOM 0 HG3 GLU A 145 10.732 -6.096 -0.038 1.00 44.14 H new ATOM 1508 N GLN A 146 10.309 -1.024 -1.330 1.00 21.33 N ATOM 1509 CA GLN A 146 10.885 0.218 -1.720 1.00 21.33 C ATOM 1510 C GLN A 146 11.161 1.052 -0.463 1.00 34.42 C ATOM 1511 O GLN A 146 10.218 1.419 0.263 1.00 15.04 O ATOM 1512 CB GLN A 146 9.921 0.921 -2.688 1.00 43.12 C ATOM 1513 CG GLN A 146 10.597 1.978 -3.518 1.00 73.01 C ATOM 1514 CD GLN A 146 9.739 2.578 -4.590 1.00 72.55 C ATOM 1515 OE1 GLN A 146 9.069 3.655 -4.281 1.00 4.31 O flip ATOM 1516 NE2 GLN A 146 9.703 2.091 -5.714 1.00 41.23 N flip ATOM 0 H GLN A 146 9.436 -0.946 -0.808 1.00 21.33 H new ATOM 0 HA GLN A 146 11.834 0.074 -2.236 1.00 21.33 H new ATOM 0 HB2 GLN A 146 9.471 0.179 -3.348 1.00 43.12 H new ATOM 0 HB3 GLN A 146 9.110 1.376 -2.120 1.00 43.12 H new ATOM 0 HG2 GLN A 146 10.940 2.775 -2.858 1.00 73.01 H new ATOM 0 HG3 GLN A 146 11.483 1.545 -3.981 1.00 73.01 H new ATOM 0 HE21 GLN A 146 10.239 1.248 -5.922 1.00 41.23 H new ATOM 0 HE22 GLN A 146 9.137 2.528 -6.441 1.00 41.23 H new ATOM 1525 N THR A 147 12.437 1.282 -0.168 1.00 30.32 N ATOM 1526 CA THR A 147 12.850 2.019 1.032 1.00 74.41 C ATOM 1527 C THR A 147 13.456 3.341 0.647 1.00 60.54 C ATOM 1528 O THR A 147 13.877 3.526 -0.484 1.00 53.50 O ATOM 1529 CB THR A 147 13.903 1.226 1.835 1.00 63.35 C ATOM 1530 OG1 THR A 147 14.126 -0.055 1.208 1.00 73.40 O ATOM 1531 CG2 THR A 147 13.440 1.027 3.274 1.00 14.22 C ATOM 0 H THR A 147 13.214 0.966 -0.748 1.00 30.32 H new ATOM 0 HA THR A 147 11.961 2.171 1.644 1.00 74.41 H new ATOM 0 HB THR A 147 14.835 1.791 1.847 1.00 63.35 H new ATOM 0 HG1 THR A 147 14.500 -0.680 1.864 1.00 73.40 H new ATOM 0 HG21 THR A 147 14.195 0.466 3.825 1.00 14.22 H new ATOM 0 HG22 THR A 147 13.293 1.998 3.747 1.00 14.22 H new ATOM 0 HG23 THR A 147 12.501 0.474 3.281 1.00 14.22 H new ATOM 1539 N ILE A 148 13.501 4.236 1.563 1.00 2.42 N ATOM 1540 CA ILE A 148 14.050 5.546 1.336 1.00 4.52 C ATOM 1541 C ILE A 148 15.433 5.589 1.957 1.00 41.55 C ATOM 1542 O ILE A 148 15.778 4.758 2.784 1.00 73.23 O ATOM 1543 CB ILE A 148 13.152 6.637 1.960 1.00 54.25 C ATOM 1544 CG1 ILE A 148 11.704 6.301 1.632 1.00 34.34 C ATOM 1545 CG2 ILE A 148 13.504 7.976 1.320 1.00 73.43 C ATOM 1546 CD1 ILE A 148 10.654 6.921 2.519 1.00 71.21 C ATOM 0 H ILE A 148 13.155 4.089 2.511 1.00 2.42 H new ATOM 0 HA ILE A 148 14.106 5.740 0.265 1.00 4.52 H new ATOM 0 HB ILE A 148 13.296 6.688 3.039 1.00 54.25 H new ATOM 0 HG12 ILE A 148 11.507 6.606 0.604 1.00 34.34 H new ATOM 0 HG13 ILE A 148 11.588 5.218 1.670 1.00 34.34 H new ATOM 0 HG21 ILE A 148 12.879 8.760 1.749 1.00 73.43 H new ATOM 0 HG22 ILE A 148 14.553 8.205 1.508 1.00 73.43 H new ATOM 0 HG23 ILE A 148 13.332 7.922 0.245 1.00 73.43 H new ATOM 0 HD11 ILE A 148 9.665 6.608 2.186 1.00 71.21 H new ATOM 0 HD12 ILE A 148 10.810 6.597 3.548 1.00 71.21 H new ATOM 0 HD13 ILE A 148 10.728 8.007 2.465 1.00 71.21 H new ATOM 1558 N ASN A 149 16.249 6.467 1.478 1.00 32.04 N ATOM 1559 CA ASN A 149 17.586 6.651 2.004 1.00 0.31 C ATOM 1560 C ASN A 149 17.638 7.848 2.958 1.00 52.22 C ATOM 1561 O ASN A 149 18.714 8.277 3.381 1.00 52.23 O ATOM 1562 CB ASN A 149 18.581 6.844 0.830 1.00 21.02 C ATOM 1563 CG ASN A 149 18.132 7.866 -0.228 1.00 73.51 C ATOM 1564 OD1 ASN A 149 17.451 8.916 0.174 1.00 65.31 O flip ATOM 1565 ND2 ASN A 149 18.426 7.707 -1.409 1.00 31.34 N flip ATOM 0 H ASN A 149 16.017 7.089 0.704 1.00 32.04 H new ATOM 0 HA ASN A 149 17.868 5.763 2.570 1.00 0.31 H new ATOM 0 HB2 ASN A 149 19.543 7.158 1.234 1.00 21.02 H new ATOM 0 HB3 ASN A 149 18.739 5.882 0.343 1.00 21.02 H new ATOM 0 HD21 ASN A 149 18.955 6.884 -1.696 1.00 31.34 H new ATOM 0 HD22 ASN A 149 18.141 8.398 -2.103 1.00 31.34 H new ATOM 1572 N ASP A 150 16.478 8.379 3.310 1.00 62.01 N ATOM 1573 CA ASP A 150 16.425 9.625 4.083 1.00 1.13 C ATOM 1574 C ASP A 150 15.185 9.693 4.945 1.00 25.25 C ATOM 1575 O ASP A 150 15.266 9.749 6.167 1.00 52.34 O ATOM 1576 CB ASP A 150 16.381 10.780 3.108 1.00 5.02 C ATOM 1577 CG ASP A 150 16.568 12.150 3.749 1.00 51.14 C ATOM 1578 OD1 ASP A 150 15.678 12.620 4.484 1.00 13.33 O ATOM 1579 OD2 ASP A 150 17.612 12.791 3.502 1.00 1.52 O ATOM 0 H ASP A 150 15.568 7.979 3.080 1.00 62.01 H new ATOM 0 HA ASP A 150 17.301 9.669 4.731 1.00 1.13 H new ATOM 0 HB2 ASP A 150 17.157 10.635 2.356 1.00 5.02 H new ATOM 0 HB3 ASP A 150 15.424 10.764 2.586 1.00 5.02 H new ATOM 1584 N LEU A 151 14.034 9.587 4.291 1.00 23.43 N ATOM 1585 CA LEU A 151 12.704 9.773 4.899 1.00 33.31 C ATOM 1586 C LEU A 151 12.298 8.528 5.689 1.00 15.13 C ATOM 1587 O LEU A 151 11.130 8.308 6.016 1.00 0.30 O ATOM 1588 CB LEU A 151 11.704 10.048 3.777 1.00 73.25 C ATOM 1589 CG LEU A 151 12.081 11.166 2.806 1.00 62.43 C ATOM 1590 CD1 LEU A 151 11.530 10.876 1.428 1.00 65.12 C ATOM 1591 CD2 LEU A 151 11.537 12.481 3.280 1.00 51.55 C ATOM 0 H LEU A 151 13.989 9.364 3.297 1.00 23.43 H new ATOM 0 HA LEU A 151 12.724 10.612 5.595 1.00 33.31 H new ATOM 0 HB2 LEU A 151 11.565 9.129 3.207 1.00 73.25 H new ATOM 0 HB3 LEU A 151 10.741 10.293 4.226 1.00 73.25 H new ATOM 0 HG LEU A 151 13.169 11.218 2.761 1.00 62.43 H new ATOM 0 HD11 LEU A 151 11.807 11.682 0.748 1.00 65.12 H new ATOM 0 HD12 LEU A 151 11.941 9.935 1.062 1.00 65.12 H new ATOM 0 HD13 LEU A 151 10.444 10.802 1.479 1.00 65.12 H new ATOM 0 HD21 LEU A 151 11.816 13.265 2.576 1.00 51.55 H new ATOM 0 HD22 LEU A 151 10.451 12.423 3.347 1.00 51.55 H new ATOM 0 HD23 LEU A 151 11.949 12.712 4.262 1.00 51.55 H new ATOM 1603 N THR A 152 13.287 7.737 5.964 1.00 31.34 N ATOM 1604 CA THR A 152 13.211 6.549 6.741 1.00 22.11 C ATOM 1605 C THR A 152 13.160 6.943 8.227 1.00 23.34 C ATOM 1606 O THR A 152 12.716 6.183 9.086 1.00 53.24 O ATOM 1607 CB THR A 152 14.493 5.763 6.449 1.00 61.11 C ATOM 1608 OG1 THR A 152 14.662 5.766 5.039 1.00 33.53 O ATOM 1609 CG2 THR A 152 14.429 4.321 6.928 1.00 51.05 C ATOM 0 H THR A 152 14.232 7.921 5.626 1.00 31.34 H new ATOM 0 HA THR A 152 12.329 5.953 6.505 1.00 22.11 H new ATOM 0 HB THR A 152 15.320 6.234 6.980 1.00 61.11 H new ATOM 0 HG1 THR A 152 13.902 5.313 4.618 1.00 33.53 H new ATOM 0 HG21 THR A 152 15.366 3.817 6.692 1.00 51.05 H new ATOM 0 HG22 THR A 152 14.268 4.302 8.006 1.00 51.05 H new ATOM 0 HG23 THR A 152 13.606 3.808 6.430 1.00 51.05 H new ATOM 1617 N PHE A 153 13.617 8.145 8.511 1.00 72.22 N ATOM 1618 CA PHE A 153 13.618 8.673 9.859 1.00 62.44 C ATOM 1619 C PHE A 153 12.700 9.884 9.931 1.00 0.33 C ATOM 1620 O PHE A 153 11.920 10.142 8.988 1.00 52.40 O ATOM 1621 CB PHE A 153 15.042 9.051 10.300 1.00 35.42 C ATOM 1622 CG PHE A 153 16.014 7.900 10.300 1.00 70.14 C ATOM 1623 CD1 PHE A 153 16.086 7.035 11.378 1.00 12.41 C ATOM 1624 CD2 PHE A 153 16.860 7.689 9.220 1.00 31.23 C ATOM 1625 CE1 PHE A 153 16.978 5.981 11.383 1.00 42.21 C ATOM 1626 CE2 PHE A 153 17.755 6.637 9.217 1.00 31.43 C ATOM 1627 CZ PHE A 153 17.815 5.781 10.300 1.00 73.11 C ATOM 0 H PHE A 153 13.998 8.784 7.813 1.00 72.22 H new ATOM 0 HA PHE A 153 13.252 7.903 10.538 1.00 62.44 H new ATOM 0 HB2 PHE A 153 15.420 9.831 9.639 1.00 35.42 H new ATOM 0 HB3 PHE A 153 14.999 9.476 11.303 1.00 35.42 H new ATOM 0 HD1 PHE A 153 15.436 7.186 12.227 1.00 12.41 H new ATOM 0 HD2 PHE A 153 16.818 8.356 8.371 1.00 31.23 H new ATOM 0 HE1 PHE A 153 17.022 5.314 12.231 1.00 42.21 H new ATOM 0 HE2 PHE A 153 18.407 6.484 8.370 1.00 31.43 H new ATOM 0 HZ PHE A 153 18.514 4.958 10.301 1.00 73.11 H new