USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 83 ASN : amide:sc= 0.926 K(o=1.3,f=-4.9) USER MOD Set 1.2: A 86 LYS NZ :NH3+ -166:sc= 0.373 (180deg=-0.931) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 149:sc= 0.219 (180deg=-1.88!) USER MOD Set 2.2: A 72 THR OG1 : rot 152:sc= 0.971 USER MOD Set 3.1: A 20 ASN : amide:sc= 0.405 K(o=1.6,f=-3.1!) USER MOD Set 3.2: A 23 SER OG : rot 81:sc= 0.881 USER MOD Set 3.3: A 74 THR OG1 : rot -73:sc= 0.311 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc=0.000959 USER MOD Single : A 16 GLN : amide:sc= -0.641 K(o=-0.64,f=-1.7) USER MOD Single : A 18 THR OG1 : rot -96:sc= 0.61 USER MOD Single : A 22 ASN : amide:sc= -0.893 K(o=-0.89,f=-5.2!) USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -0.0279 (180deg=-0.771) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -159:sc= -0.149 (180deg=-0.841) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 49 SER OG : rot 78:sc= 1.02 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.187 USER MOD Single : A 70 SER OG : rot -70:sc= 0.0519 USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0.897 (180deg=0.884) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.24 F(o=-2.1!,f=-1.2) USER MOD Single : A 90 TYR OH : rot -130:sc= -0.0262 USER MOD Single : A 92 THR OG1 : rot 77:sc= 0.733 USER MOD Single : A 94 MET CE :methyl -172:sc= -0.224 (180deg=-0.349) USER MOD Single : A 99 SER OG : rot 75:sc= 1.05 USER MOD Single : A 105 THR OG1 : rot 162:sc= 0.0366 USER MOD ----------------------------------------------------------------- ATOM 201 N ILE A 13 0.471 -5.385 11.140 1.00 52.54 N ATOM 202 CA ILE A 13 0.744 -4.231 10.286 1.00 42.34 C ATOM 203 C ILE A 13 1.420 -3.138 11.116 1.00 64.13 C ATOM 204 O ILE A 13 0.763 -2.408 11.871 1.00 73.44 O ATOM 205 CB ILE A 13 -0.551 -3.668 9.584 1.00 62.02 C ATOM 206 CG1 ILE A 13 -1.337 -4.815 8.875 1.00 34.21 C ATOM 207 CG2 ILE A 13 -0.193 -2.538 8.575 1.00 61.34 C ATOM 208 CD1 ILE A 13 -2.655 -4.387 8.257 1.00 62.21 C ATOM 0 HA ILE A 13 1.408 -4.561 9.487 1.00 42.34 H new ATOM 0 HB ILE A 13 -1.192 -3.239 10.354 1.00 62.02 H new ATOM 0 HG12 ILE A 13 -0.706 -5.242 8.095 1.00 34.21 H new ATOM 0 HG13 ILE A 13 -1.530 -5.607 9.598 1.00 34.21 H new ATOM 0 HG21 ILE A 13 -1.104 -2.168 8.105 1.00 61.34 H new ATOM 0 HG22 ILE A 13 0.301 -1.722 9.103 1.00 61.34 H new ATOM 0 HG23 ILE A 13 0.476 -2.932 7.810 1.00 61.34 H new ATOM 0 HD11 ILE A 13 -3.132 -5.247 7.787 1.00 62.21 H new ATOM 0 HD12 ILE A 13 -3.308 -3.989 9.033 1.00 62.21 H new ATOM 0 HD13 ILE A 13 -2.472 -3.618 7.507 1.00 62.21 H new ATOM 220 N GLN A 14 2.745 -3.070 10.997 1.00 73.54 N ATOM 221 CA GLN A 14 3.560 -2.064 11.684 1.00 74.31 C ATOM 222 C GLN A 14 4.012 -1.009 10.664 1.00 72.11 C ATOM 223 O GLN A 14 4.254 -1.323 9.492 1.00 30.12 O ATOM 224 CB GLN A 14 4.768 -2.727 12.401 1.00 1.32 C ATOM 225 CG GLN A 14 5.698 -3.538 11.489 1.00 33.50 C ATOM 226 CD GLN A 14 6.858 -4.177 12.246 1.00 0.52 C ATOM 227 OE1 GLN A 14 7.926 -3.582 12.392 1.00 50.12 O ATOM 228 NE2 GLN A 14 6.652 -5.381 12.757 1.00 22.13 N ATOM 0 H GLN A 14 3.287 -3.713 10.420 1.00 73.54 H new ATOM 0 HA GLN A 14 2.967 -1.574 12.456 1.00 74.31 H new ATOM 0 HB2 GLN A 14 5.353 -1.948 12.891 1.00 1.32 H new ATOM 0 HB3 GLN A 14 4.390 -3.383 13.185 1.00 1.32 H new ATOM 0 HG2 GLN A 14 5.122 -4.318 10.991 1.00 33.50 H new ATOM 0 HG3 GLN A 14 6.094 -2.887 10.710 1.00 33.50 H new ATOM 0 HE21 GLN A 14 5.756 -5.847 12.618 1.00 22.13 H new ATOM 0 HE22 GLN A 14 7.390 -5.842 13.290 1.00 22.13 H new ATOM 237 N THR A 15 4.105 0.241 11.117 1.00 74.44 N ATOM 238 CA THR A 15 4.493 1.375 10.280 1.00 55.55 C ATOM 239 C THR A 15 5.976 1.697 10.506 1.00 74.11 C ATOM 240 O THR A 15 6.457 1.704 11.645 1.00 22.34 O ATOM 241 CB THR A 15 3.614 2.628 10.616 1.00 12.01 C ATOM 242 OG1 THR A 15 3.643 2.872 12.032 1.00 13.50 O ATOM 243 CG2 THR A 15 2.156 2.445 10.162 1.00 65.44 C ATOM 0 H THR A 15 3.911 0.497 12.085 1.00 74.44 H new ATOM 0 HA THR A 15 4.336 1.113 9.234 1.00 55.55 H new ATOM 0 HB THR A 15 4.031 3.478 10.076 1.00 12.01 H new ATOM 0 HG1 THR A 15 3.094 3.657 12.240 1.00 13.50 H new ATOM 0 HG21 THR A 15 1.582 3.337 10.414 1.00 65.44 H new ATOM 0 HG22 THR A 15 2.128 2.288 9.084 1.00 65.44 H new ATOM 0 HG23 THR A 15 1.724 1.581 10.666 1.00 65.44 H new ATOM 251 N GLN A 16 6.691 1.920 9.403 1.00 42.23 N ATOM 252 CA GLN A 16 8.081 2.378 9.391 1.00 55.11 C ATOM 253 C GLN A 16 8.112 3.745 8.709 1.00 41.23 C ATOM 254 O GLN A 16 7.700 3.865 7.542 1.00 72.11 O ATOM 255 CB GLN A 16 8.987 1.370 8.628 1.00 72.02 C ATOM 256 CG GLN A 16 10.442 1.853 8.418 1.00 71.24 C ATOM 257 CD GLN A 16 11.332 0.827 7.723 1.00 2.00 C ATOM 258 OE1 GLN A 16 11.429 0.791 6.496 1.00 11.43 O ATOM 259 NE2 GLN A 16 12.005 -0.009 8.500 1.00 25.22 N ATOM 0 H GLN A 16 6.309 1.783 8.467 1.00 42.23 H new ATOM 0 HA GLN A 16 8.462 2.451 10.410 1.00 55.11 H new ATOM 0 HB2 GLN A 16 9.005 0.428 9.177 1.00 72.02 H new ATOM 0 HB3 GLN A 16 8.541 1.163 7.655 1.00 72.02 H new ATOM 0 HG2 GLN A 16 10.430 2.770 7.829 1.00 71.24 H new ATOM 0 HG3 GLN A 16 10.877 2.102 9.386 1.00 71.24 H new ATOM 0 HE21 GLN A 16 11.905 0.044 9.514 1.00 25.22 H new ATOM 0 HE22 GLN A 16 12.623 -0.706 8.084 1.00 25.22 H new ATOM 268 N ASP A 17 8.577 4.771 9.441 1.00 14.41 N ATOM 269 CA ASP A 17 8.749 6.131 8.902 1.00 11.04 C ATOM 270 C ASP A 17 9.885 6.137 7.866 1.00 71.30 C ATOM 271 O ASP A 17 10.839 5.356 7.975 1.00 61.23 O ATOM 272 CB ASP A 17 9.037 7.126 10.060 1.00 54.00 C ATOM 273 CG ASP A 17 9.300 8.574 9.605 1.00 22.12 C ATOM 274 OD1 ASP A 17 8.454 9.136 8.887 1.00 53.25 O ATOM 275 OD2 ASP A 17 10.345 9.158 9.970 1.00 14.53 O ATOM 0 H ASP A 17 8.844 4.682 10.421 1.00 14.41 H new ATOM 0 HA ASP A 17 7.832 6.448 8.405 1.00 11.04 H new ATOM 0 HB2 ASP A 17 8.189 7.122 10.745 1.00 54.00 H new ATOM 0 HB3 ASP A 17 9.902 6.772 10.621 1.00 54.00 H new ATOM 280 N THR A 18 9.783 7.022 6.866 1.00 41.40 N ATOM 281 CA THR A 18 10.709 7.056 5.722 1.00 72.24 C ATOM 282 C THR A 18 11.271 8.488 5.588 1.00 42.51 C ATOM 283 O THR A 18 10.598 9.442 6.007 1.00 60.15 O ATOM 284 CB THR A 18 9.997 6.617 4.383 1.00 22.01 C ATOM 285 OG1 THR A 18 9.016 7.584 3.998 1.00 3.34 O ATOM 286 CG2 THR A 18 9.317 5.233 4.501 1.00 25.51 C ATOM 0 H THR A 18 9.056 7.736 6.826 1.00 41.40 H new ATOM 0 HA THR A 18 11.518 6.348 5.900 1.00 72.24 H new ATOM 0 HB THR A 18 10.777 6.548 3.625 1.00 22.01 H new ATOM 0 HG1 THR A 18 8.135 7.302 4.321 1.00 3.34 H new ATOM 0 HG21 THR A 18 8.842 4.979 3.553 1.00 25.51 H new ATOM 0 HG22 THR A 18 10.066 4.479 4.746 1.00 25.51 H new ATOM 0 HG23 THR A 18 8.563 5.264 5.287 1.00 25.51 H new ATOM 294 N PRO A 19 12.508 8.684 5.013 1.00 63.14 N ATOM 295 CA PRO A 19 13.081 10.046 4.779 1.00 24.13 C ATOM 296 C PRO A 19 12.269 10.893 3.763 1.00 11.42 C ATOM 297 O PRO A 19 12.583 12.067 3.539 1.00 40.21 O ATOM 298 CB PRO A 19 14.524 9.755 4.278 1.00 5.12 C ATOM 299 CG PRO A 19 14.468 8.357 3.735 1.00 21.33 C ATOM 300 CD PRO A 19 13.460 7.618 4.596 1.00 41.35 C ATOM 0 HA PRO A 19 13.057 10.654 5.683 1.00 24.13 H new ATOM 0 HB2 PRO A 19 14.826 10.466 3.509 1.00 5.12 H new ATOM 0 HB3 PRO A 19 15.248 9.835 5.089 1.00 5.12 H new ATOM 0 HG2 PRO A 19 14.163 8.356 2.688 1.00 21.33 H new ATOM 0 HG3 PRO A 19 15.447 7.880 3.782 1.00 21.33 H new ATOM 0 HD2 PRO A 19 12.958 6.828 4.037 1.00 41.35 H new ATOM 0 HD3 PRO A 19 13.936 7.147 5.456 1.00 41.35 H new ATOM 308 N ASN A 20 11.230 10.287 3.149 1.00 75.42 N ATOM 309 CA ASN A 20 10.245 10.994 2.311 1.00 42.23 C ATOM 310 C ASN A 20 8.960 11.253 3.152 1.00 43.30 C ATOM 311 O ASN A 20 8.262 10.295 3.500 1.00 51.41 O ATOM 312 CB ASN A 20 9.924 10.155 1.042 1.00 13.25 C ATOM 313 CG ASN A 20 9.019 10.894 0.046 1.00 73.20 C ATOM 314 OD1 ASN A 20 7.795 10.803 0.099 1.00 1.33 O ATOM 315 ND2 ASN A 20 9.617 11.644 -0.868 1.00 21.34 N ATOM 0 H ASN A 20 11.052 9.285 3.223 1.00 75.42 H new ATOM 0 HA ASN A 20 10.652 11.950 1.983 1.00 42.23 H new ATOM 0 HB2 ASN A 20 10.857 9.886 0.546 1.00 13.25 H new ATOM 0 HB3 ASN A 20 9.442 9.224 1.341 1.00 13.25 H new ATOM 0 HD21 ASN A 20 9.059 12.162 -1.547 1.00 21.34 H new ATOM 0 HD22 ASN A 20 10.635 11.704 -0.892 1.00 21.34 H new ATOM 322 N PRO A 21 8.640 12.544 3.524 1.00 32.12 N ATOM 323 CA PRO A 21 7.432 12.885 4.349 1.00 0.44 C ATOM 324 C PRO A 21 6.088 12.555 3.656 1.00 44.31 C ATOM 325 O PRO A 21 5.039 12.485 4.310 1.00 52.51 O ATOM 326 CB PRO A 21 7.578 14.412 4.596 1.00 14.22 C ATOM 327 CG PRO A 21 9.026 14.714 4.328 1.00 33.34 C ATOM 328 CD PRO A 21 9.432 13.766 3.220 1.00 65.14 C ATOM 0 HA PRO A 21 7.399 12.293 5.264 1.00 0.44 H new ATOM 0 HB2 PRO A 21 6.927 14.983 3.934 1.00 14.22 H new ATOM 0 HB3 PRO A 21 7.303 14.674 5.618 1.00 14.22 H new ATOM 0 HG2 PRO A 21 9.162 15.753 4.027 1.00 33.34 H new ATOM 0 HG3 PRO A 21 9.632 14.559 5.221 1.00 33.34 H new ATOM 0 HD2 PRO A 21 9.193 14.168 2.236 1.00 65.14 H new ATOM 0 HD3 PRO A 21 10.504 13.566 3.231 1.00 65.14 H new ATOM 336 N ASN A 22 6.130 12.364 2.329 1.00 44.13 N ATOM 337 CA ASN A 22 4.942 12.027 1.526 1.00 54.11 C ATOM 338 C ASN A 22 4.737 10.502 1.409 1.00 2.41 C ATOM 339 O ASN A 22 3.754 10.073 0.829 1.00 75.04 O ATOM 340 CB ASN A 22 5.029 12.678 0.108 1.00 10.43 C ATOM 341 CG ASN A 22 5.013 14.215 0.142 1.00 20.52 C ATOM 342 OD1 ASN A 22 5.501 14.834 1.082 1.00 4.42 O ATOM 343 ND2 ASN A 22 4.446 14.841 -0.878 1.00 41.21 N ATOM 0 H ASN A 22 6.987 12.438 1.781 1.00 44.13 H new ATOM 0 HA ASN A 22 4.075 12.434 2.047 1.00 54.11 H new ATOM 0 HB2 ASN A 22 5.942 12.342 -0.383 1.00 10.43 H new ATOM 0 HB3 ASN A 22 4.194 12.326 -0.497 1.00 10.43 H new ATOM 0 HD21 ASN A 22 4.408 15.860 -0.894 1.00 41.21 H new ATOM 0 HD22 ASN A 22 4.047 14.304 -1.648 1.00 41.21 H new ATOM 350 N SER A 23 5.648 9.688 1.969 1.00 71.12 N ATOM 351 CA SER A 23 5.549 8.208 1.907 1.00 32.02 C ATOM 352 C SER A 23 5.647 7.585 3.309 1.00 41.11 C ATOM 353 O SER A 23 6.340 8.106 4.180 1.00 13.51 O ATOM 354 CB SER A 23 6.644 7.639 0.975 1.00 52.20 C ATOM 355 OG SER A 23 6.517 8.189 -0.326 1.00 62.11 O ATOM 0 H SER A 23 6.467 10.026 2.474 1.00 71.12 H new ATOM 0 HA SER A 23 4.573 7.948 1.498 1.00 32.02 H new ATOM 0 HB2 SER A 23 7.630 7.868 1.379 1.00 52.20 H new ATOM 0 HB3 SER A 23 6.563 6.553 0.928 1.00 52.20 H new ATOM 0 HG SER A 23 6.923 9.081 -0.345 1.00 62.11 H new ATOM 361 N LEU A 24 4.904 6.488 3.519 1.00 51.53 N ATOM 362 CA LEU A 24 4.957 5.685 4.758 1.00 72.14 C ATOM 363 C LEU A 24 4.926 4.197 4.388 1.00 44.44 C ATOM 364 O LEU A 24 4.119 3.781 3.546 1.00 22.32 O ATOM 365 CB LEU A 24 3.759 6.037 5.686 1.00 34.51 C ATOM 366 CG LEU A 24 3.672 5.285 7.059 1.00 65.30 C ATOM 367 CD1 LEU A 24 4.905 5.556 7.939 1.00 0.45 C ATOM 368 CD2 LEU A 24 2.369 5.650 7.801 1.00 4.15 C ATOM 0 H LEU A 24 4.243 6.127 2.831 1.00 51.53 H new ATOM 0 HA LEU A 24 5.878 5.908 5.297 1.00 72.14 H new ATOM 0 HB2 LEU A 24 3.792 7.108 5.889 1.00 34.51 H new ATOM 0 HB3 LEU A 24 2.838 5.844 5.136 1.00 34.51 H new ATOM 0 HG LEU A 24 3.657 4.216 6.847 1.00 65.30 H new ATOM 0 HD11 LEU A 24 4.805 5.017 8.881 1.00 0.45 H new ATOM 0 HD12 LEU A 24 5.803 5.219 7.421 1.00 0.45 H new ATOM 0 HD13 LEU A 24 4.981 6.625 8.139 1.00 0.45 H new ATOM 0 HD21 LEU A 24 2.330 5.117 8.751 1.00 4.15 H new ATOM 0 HD22 LEU A 24 2.344 6.724 7.986 1.00 4.15 H new ATOM 0 HD23 LEU A 24 1.511 5.367 7.191 1.00 4.15 H new ATOM 380 N LYS A 25 5.812 3.404 5.014 1.00 60.40 N ATOM 381 CA LYS A 25 5.909 1.959 4.764 1.00 62.42 C ATOM 382 C LYS A 25 5.058 1.185 5.793 1.00 65.44 C ATOM 383 O LYS A 25 5.141 1.445 6.991 1.00 11.23 O ATOM 384 CB LYS A 25 7.399 1.511 4.800 1.00 5.52 C ATOM 385 CG LYS A 25 7.629 -0.009 4.574 1.00 23.32 C ATOM 386 CD LYS A 25 9.117 -0.409 4.381 1.00 5.30 C ATOM 387 CE LYS A 25 9.662 -0.177 2.954 1.00 71.33 C ATOM 388 NZ LYS A 25 9.679 1.251 2.557 1.00 44.03 N ATOM 0 H LYS A 25 6.479 3.747 5.705 1.00 60.40 H new ATOM 0 HA LYS A 25 5.517 1.735 3.772 1.00 62.42 H new ATOM 0 HB2 LYS A 25 7.948 2.064 4.038 1.00 5.52 H new ATOM 0 HB3 LYS A 25 7.824 1.789 5.765 1.00 5.52 H new ATOM 0 HG2 LYS A 25 7.226 -0.556 5.426 1.00 23.32 H new ATOM 0 HG3 LYS A 25 7.064 -0.323 3.697 1.00 23.32 H new ATOM 0 HD2 LYS A 25 9.727 0.157 5.086 1.00 5.30 H new ATOM 0 HD3 LYS A 25 9.233 -1.463 4.634 1.00 5.30 H new ATOM 0 HE2 LYS A 25 10.674 -0.577 2.890 1.00 71.33 H new ATOM 0 HE3 LYS A 25 9.053 -0.737 2.245 1.00 71.33 H new ATOM 0 HZ1 LYS A 25 10.469 1.420 1.902 1.00 44.03 H new ATOM 0 HZ2 LYS A 25 8.783 1.492 2.088 1.00 44.03 H new ATOM 0 HZ3 LYS A 25 9.798 1.845 3.402 1.00 44.03 H new ATOM 402 N PHE A 26 4.206 0.276 5.304 1.00 31.01 N ATOM 403 CA PHE A 26 3.396 -0.634 6.118 1.00 2.22 C ATOM 404 C PHE A 26 3.903 -2.070 5.882 1.00 64.33 C ATOM 405 O PHE A 26 3.750 -2.603 4.778 1.00 4.25 O ATOM 406 CB PHE A 26 1.894 -0.529 5.712 1.00 44.14 C ATOM 407 CG PHE A 26 1.273 0.862 5.886 1.00 23.34 C ATOM 408 CD1 PHE A 26 1.483 1.873 4.936 1.00 53.20 C ATOM 409 CD2 PHE A 26 0.478 1.163 6.994 1.00 73.04 C ATOM 410 CE1 PHE A 26 0.919 3.125 5.095 1.00 13.15 C ATOM 411 CE2 PHE A 26 -0.088 2.417 7.147 1.00 5.31 C ATOM 412 CZ PHE A 26 0.133 3.396 6.199 1.00 71.35 C ATOM 0 H PHE A 26 4.058 0.151 4.303 1.00 31.01 H new ATOM 0 HA PHE A 26 3.484 -0.369 7.172 1.00 2.22 H new ATOM 0 HB2 PHE A 26 1.793 -0.828 4.669 1.00 44.14 H new ATOM 0 HB3 PHE A 26 1.322 -1.243 6.305 1.00 44.14 H new ATOM 0 HD1 PHE A 26 2.094 1.670 4.069 1.00 53.20 H new ATOM 0 HD2 PHE A 26 0.302 0.405 7.743 1.00 73.04 H new ATOM 0 HE1 PHE A 26 1.093 3.893 4.355 1.00 13.15 H new ATOM 0 HE2 PHE A 26 -0.703 2.630 8.009 1.00 5.31 H new ATOM 0 HZ PHE A 26 -0.309 4.374 6.320 1.00 71.35 H new ATOM 422 N ILE A 27 4.548 -2.674 6.897 1.00 20.42 N ATOM 423 CA ILE A 27 4.908 -4.103 6.876 1.00 20.33 C ATOM 424 C ILE A 27 3.639 -4.883 7.294 1.00 70.21 C ATOM 425 O ILE A 27 3.230 -4.773 8.451 1.00 72.31 O ATOM 426 CB ILE A 27 6.112 -4.472 7.852 1.00 74.42 C ATOM 427 CG1 ILE A 27 7.453 -3.741 7.461 1.00 71.21 C ATOM 428 CG2 ILE A 27 6.335 -6.015 7.916 1.00 40.25 C ATOM 429 CD1 ILE A 27 7.509 -2.246 7.763 1.00 43.35 C ATOM 0 H ILE A 27 4.832 -2.189 7.748 1.00 20.42 H new ATOM 0 HA ILE A 27 5.253 -4.364 5.875 1.00 20.33 H new ATOM 0 HB ILE A 27 5.825 -4.117 8.842 1.00 74.42 H new ATOM 0 HG12 ILE A 27 8.276 -4.229 7.984 1.00 71.21 H new ATOM 0 HG13 ILE A 27 7.624 -3.883 6.394 1.00 71.21 H new ATOM 0 HG21 ILE A 27 7.163 -6.235 8.590 1.00 40.25 H new ATOM 0 HG22 ILE A 27 5.430 -6.499 8.283 1.00 40.25 H new ATOM 0 HG23 ILE A 27 6.568 -6.391 6.920 1.00 40.25 H new ATOM 0 HD11 ILE A 27 8.475 -1.848 7.453 1.00 43.35 H new ATOM 0 HD12 ILE A 27 6.715 -1.735 7.219 1.00 43.35 H new ATOM 0 HD13 ILE A 27 7.377 -2.086 8.833 1.00 43.35 H new ATOM 441 N PRO A 28 2.993 -5.671 6.367 1.00 33.04 N ATOM 442 CA PRO A 28 1.659 -6.303 6.624 1.00 64.15 C ATOM 443 C PRO A 28 1.709 -7.501 7.602 1.00 11.23 C ATOM 444 O PRO A 28 0.669 -8.107 7.897 1.00 43.53 O ATOM 445 CB PRO A 28 1.226 -6.751 5.206 1.00 62.21 C ATOM 446 CG PRO A 28 2.516 -7.045 4.496 1.00 1.52 C ATOM 447 CD PRO A 28 3.508 -6.015 5.004 1.00 52.50 C ATOM 0 HA PRO A 28 0.969 -5.615 7.112 1.00 64.15 H new ATOM 0 HB2 PRO A 28 0.585 -7.632 5.246 1.00 62.21 H new ATOM 0 HB3 PRO A 28 0.662 -5.969 4.697 1.00 62.21 H new ATOM 0 HG2 PRO A 28 2.859 -8.057 4.710 1.00 1.52 H new ATOM 0 HG3 PRO A 28 2.394 -6.971 3.415 1.00 1.52 H new ATOM 0 HD2 PRO A 28 4.519 -6.420 5.048 1.00 52.50 H new ATOM 0 HD3 PRO A 28 3.543 -5.139 4.356 1.00 52.50 H new ATOM 455 N GLY A 29 2.920 -7.840 8.076 1.00 42.15 N ATOM 456 CA GLY A 29 3.131 -8.963 8.984 1.00 63.40 C ATOM 457 C GLY A 29 3.374 -10.289 8.262 1.00 54.30 C ATOM 458 O GLY A 29 3.795 -11.262 8.894 1.00 52.30 O ATOM 0 H GLY A 29 3.775 -7.339 7.836 1.00 42.15 H new ATOM 0 HA2 GLY A 29 3.984 -8.746 9.627 1.00 63.40 H new ATOM 0 HA3 GLY A 29 2.261 -9.065 9.633 1.00 63.40 H new ATOM 462 N LYS A 30 3.088 -10.338 6.936 1.00 33.15 N ATOM 463 CA LYS A 30 3.237 -11.558 6.108 1.00 50.45 C ATOM 464 C LYS A 30 4.087 -11.247 4.849 1.00 4.11 C ATOM 465 O LYS A 30 4.038 -10.117 4.341 1.00 11.25 O ATOM 466 CB LYS A 30 1.844 -12.133 5.688 1.00 44.25 C ATOM 467 CG LYS A 30 0.822 -12.288 6.846 1.00 32.10 C ATOM 468 CD LYS A 30 -0.328 -13.302 6.579 1.00 62.01 C ATOM 469 CE LYS A 30 -1.084 -13.103 5.254 1.00 44.14 C ATOM 470 NZ LYS A 30 -0.408 -13.771 4.105 1.00 61.20 N ATOM 0 H LYS A 30 2.748 -9.531 6.413 1.00 33.15 H new ATOM 0 HA LYS A 30 3.746 -12.312 6.708 1.00 50.45 H new ATOM 0 HB2 LYS A 30 1.413 -11.481 4.928 1.00 44.25 H new ATOM 0 HB3 LYS A 30 1.995 -13.108 5.224 1.00 44.25 H new ATOM 0 HG2 LYS A 30 1.357 -12.597 7.744 1.00 32.10 H new ATOM 0 HG3 LYS A 30 0.384 -11.312 7.057 1.00 32.10 H new ATOM 0 HD2 LYS A 30 0.087 -14.310 6.594 1.00 62.01 H new ATOM 0 HD3 LYS A 30 -1.043 -13.240 7.399 1.00 62.01 H new ATOM 0 HE2 LYS A 30 -2.096 -13.496 5.354 1.00 44.14 H new ATOM 0 HE3 LYS A 30 -1.175 -12.037 5.048 1.00 44.14 H new ATOM 0 HZ1 LYS A 30 -1.111 -13.997 3.373 1.00 61.20 H new ATOM 0 HZ2 LYS A 30 0.313 -13.135 3.708 1.00 61.20 H new ATOM 0 HZ3 LYS A 30 0.046 -14.648 4.431 1.00 61.20 H new ATOM 484 N PRO A 31 4.898 -12.237 4.340 1.00 73.33 N ATOM 485 CA PRO A 31 5.731 -12.058 3.118 1.00 72.43 C ATOM 486 C PRO A 31 4.893 -11.817 1.839 1.00 44.34 C ATOM 487 O PRO A 31 4.027 -12.630 1.512 1.00 72.40 O ATOM 488 CB PRO A 31 6.526 -13.396 3.020 1.00 21.51 C ATOM 489 CG PRO A 31 6.439 -14.012 4.386 1.00 12.44 C ATOM 490 CD PRO A 31 5.091 -13.597 4.928 1.00 61.42 C ATOM 0 HA PRO A 31 6.365 -11.175 3.192 1.00 72.43 H new ATOM 0 HB2 PRO A 31 6.097 -14.054 2.264 1.00 21.51 H new ATOM 0 HB3 PRO A 31 7.563 -13.217 2.735 1.00 21.51 H new ATOM 0 HG2 PRO A 31 6.524 -15.097 4.334 1.00 12.44 H new ATOM 0 HG3 PRO A 31 7.246 -13.659 5.028 1.00 12.44 H new ATOM 0 HD2 PRO A 31 4.303 -14.285 4.621 1.00 61.42 H new ATOM 0 HD3 PRO A 31 5.085 -13.570 6.018 1.00 61.42 H new ATOM 498 N VAL A 32 5.165 -10.707 1.117 1.00 73.33 N ATOM 499 CA VAL A 32 4.408 -10.340 -0.104 1.00 64.24 C ATOM 500 C VAL A 32 5.262 -10.531 -1.376 1.00 64.23 C ATOM 501 O VAL A 32 4.767 -11.090 -2.365 1.00 61.22 O ATOM 502 CB VAL A 32 3.805 -8.870 -0.042 1.00 40.31 C ATOM 503 CG1 VAL A 32 2.822 -8.720 1.144 1.00 65.12 C ATOM 504 CG2 VAL A 32 4.890 -7.763 0.005 1.00 20.30 C ATOM 0 H VAL A 32 5.905 -10.047 1.358 1.00 73.33 H new ATOM 0 HA VAL A 32 3.561 -11.025 -0.152 1.00 64.24 H new ATOM 0 HB VAL A 32 3.259 -8.730 -0.975 1.00 40.31 H new ATOM 0 HG11 VAL A 32 2.425 -7.705 1.162 1.00 65.12 H new ATOM 0 HG12 VAL A 32 2.002 -9.428 1.028 1.00 65.12 H new ATOM 0 HG13 VAL A 32 3.346 -8.921 2.078 1.00 65.12 H new ATOM 0 HG21 VAL A 32 4.410 -6.785 0.046 1.00 20.30 H new ATOM 0 HG22 VAL A 32 5.511 -7.900 0.890 1.00 20.30 H new ATOM 0 HG23 VAL A 32 5.512 -7.825 -0.888 1.00 20.30 H new ATOM 514 N LEU A 33 6.551 -10.100 -1.344 1.00 22.22 N ATOM 515 CA LEU A 33 7.425 -10.051 -2.553 1.00 62.22 C ATOM 516 C LEU A 33 8.918 -10.243 -2.194 1.00 51.02 C ATOM 517 O LEU A 33 9.743 -9.363 -2.451 1.00 71.21 O ATOM 518 CB LEU A 33 7.236 -8.707 -3.339 1.00 13.40 C ATOM 519 CG LEU A 33 5.898 -8.496 -4.111 1.00 70.23 C ATOM 520 CD1 LEU A 33 5.879 -7.116 -4.769 1.00 31.42 C ATOM 521 CD2 LEU A 33 5.656 -9.609 -5.159 1.00 22.43 C ATOM 0 H LEU A 33 7.012 -9.780 -0.492 1.00 22.22 H new ATOM 0 HA LEU A 33 7.119 -10.879 -3.193 1.00 62.22 H new ATOM 0 HB2 LEU A 33 7.346 -7.886 -2.630 1.00 13.40 H new ATOM 0 HB3 LEU A 33 8.053 -8.621 -4.056 1.00 13.40 H new ATOM 0 HG LEU A 33 5.084 -8.553 -3.388 1.00 70.23 H new ATOM 0 HD11 LEU A 33 4.939 -6.981 -5.305 1.00 31.42 H new ATOM 0 HD12 LEU A 33 5.973 -6.346 -4.003 1.00 31.42 H new ATOM 0 HD13 LEU A 33 6.711 -7.035 -5.469 1.00 31.42 H new ATOM 0 HD21 LEU A 33 4.713 -9.425 -5.675 1.00 22.43 H new ATOM 0 HD22 LEU A 33 6.471 -9.611 -5.883 1.00 22.43 H new ATOM 0 HD23 LEU A 33 5.613 -10.577 -4.659 1.00 22.43 H new ATOM 533 N GLU A 34 9.262 -11.397 -1.614 1.00 10.14 N ATOM 534 CA GLU A 34 10.668 -11.770 -1.307 1.00 53.13 C ATOM 535 C GLU A 34 11.571 -11.750 -2.576 1.00 3.54 C ATOM 536 O GLU A 34 12.744 -11.353 -2.509 1.00 33.24 O ATOM 537 CB GLU A 34 10.713 -13.181 -0.652 1.00 0.34 C ATOM 538 CG GLU A 34 12.114 -13.612 -0.159 1.00 61.24 C ATOM 539 CD GLU A 34 12.183 -15.091 0.248 1.00 45.52 C ATOM 540 OE1 GLU A 34 12.246 -15.955 -0.652 1.00 13.11 O ATOM 541 OE2 GLU A 34 12.179 -15.400 1.459 1.00 25.30 O ATOM 0 H GLU A 34 8.582 -12.106 -1.340 1.00 10.14 H new ATOM 0 HA GLU A 34 11.058 -11.026 -0.612 1.00 53.13 H new ATOM 0 HB2 GLU A 34 10.023 -13.199 0.192 1.00 0.34 H new ATOM 0 HB3 GLU A 34 10.353 -13.915 -1.373 1.00 0.34 H new ATOM 0 HG2 GLU A 34 12.843 -13.424 -0.947 1.00 61.24 H new ATOM 0 HG3 GLU A 34 12.399 -12.994 0.692 1.00 61.24 H new ATOM 548 N THR A 35 10.997 -12.148 -3.730 1.00 64.32 N ATOM 549 CA THR A 35 11.748 -12.335 -4.987 1.00 13.34 C ATOM 550 C THR A 35 11.939 -11.005 -5.765 1.00 0.21 C ATOM 551 O THR A 35 13.009 -10.780 -6.348 1.00 40.25 O ATOM 552 CB THR A 35 11.027 -13.396 -5.898 1.00 73.51 C ATOM 553 OG1 THR A 35 10.777 -14.600 -5.145 1.00 33.44 O ATOM 554 CG2 THR A 35 11.841 -13.751 -7.163 1.00 63.04 C ATOM 0 H THR A 35 10.001 -12.348 -3.816 1.00 64.32 H new ATOM 0 HA THR A 35 12.740 -12.698 -4.718 1.00 13.34 H new ATOM 0 HB THR A 35 10.090 -12.945 -6.225 1.00 73.51 H new ATOM 0 HG1 THR A 35 10.326 -15.256 -5.717 1.00 33.44 H new ATOM 0 HG21 THR A 35 11.294 -14.487 -7.753 1.00 63.04 H new ATOM 0 HG22 THR A 35 11.997 -12.852 -7.759 1.00 63.04 H new ATOM 0 HG23 THR A 35 12.806 -14.165 -6.870 1.00 63.04 H new ATOM 562 N ARG A 36 10.920 -10.115 -5.760 1.00 53.20 N ATOM 563 CA ARG A 36 10.913 -8.904 -6.628 1.00 54.22 C ATOM 564 C ARG A 36 10.302 -7.676 -5.911 1.00 33.31 C ATOM 565 O ARG A 36 10.083 -7.681 -4.702 1.00 5.03 O ATOM 566 CB ARG A 36 10.107 -9.187 -7.935 1.00 15.11 C ATOM 567 CG ARG A 36 8.585 -9.419 -7.719 1.00 21.31 C ATOM 568 CD ARG A 36 7.743 -9.117 -8.965 1.00 73.43 C ATOM 569 NE ARG A 36 8.079 -9.976 -10.112 1.00 30.24 N ATOM 570 CZ ARG A 36 7.774 -9.705 -11.390 1.00 4.14 C ATOM 571 NH1 ARG A 36 7.130 -8.588 -11.726 1.00 74.13 N ATOM 572 NH2 ARG A 36 8.063 -10.581 -12.334 1.00 45.40 N ATOM 0 H ARG A 36 10.094 -10.208 -5.169 1.00 53.20 H new ATOM 0 HA ARG A 36 11.951 -8.674 -6.867 1.00 54.22 H new ATOM 0 HB2 ARG A 36 10.240 -8.347 -8.617 1.00 15.11 H new ATOM 0 HB3 ARG A 36 10.529 -10.065 -8.424 1.00 15.11 H new ATOM 0 HG2 ARG A 36 8.421 -10.454 -7.420 1.00 21.31 H new ATOM 0 HG3 ARG A 36 8.242 -8.792 -6.896 1.00 21.31 H new ATOM 0 HD2 ARG A 36 6.688 -9.242 -8.722 1.00 73.43 H new ATOM 0 HD3 ARG A 36 7.884 -8.074 -9.247 1.00 73.43 H new ATOM 0 HE ARG A 36 8.582 -10.843 -9.921 1.00 30.24 H new ATOM 0 HH11 ARG A 36 6.859 -7.919 -11.005 1.00 74.13 H new ATOM 0 HH12 ARG A 36 6.908 -8.402 -12.704 1.00 74.13 H new ATOM 0 HH21 ARG A 36 8.517 -11.461 -12.091 1.00 45.40 H new ATOM 0 HH22 ARG A 36 7.832 -10.378 -13.306 1.00 45.40 H new ATOM 586 N THR A 37 10.065 -6.614 -6.709 1.00 24.05 N ATOM 587 CA THR A 37 9.246 -5.445 -6.337 1.00 44.32 C ATOM 588 C THR A 37 8.187 -5.219 -7.437 1.00 30.41 C ATOM 589 O THR A 37 8.404 -5.611 -8.590 1.00 35.22 O ATOM 590 CB THR A 37 10.120 -4.154 -6.164 1.00 74.30 C ATOM 591 OG1 THR A 37 10.875 -3.902 -7.359 1.00 50.02 O ATOM 592 CG2 THR A 37 11.088 -4.255 -4.972 1.00 15.10 C ATOM 0 H THR A 37 10.448 -6.546 -7.652 1.00 24.05 H new ATOM 0 HA THR A 37 8.768 -5.644 -5.378 1.00 44.32 H new ATOM 0 HB THR A 37 9.431 -3.332 -5.970 1.00 74.30 H new ATOM 0 HG1 THR A 37 11.415 -3.093 -7.240 1.00 50.02 H new ATOM 0 HG21 THR A 37 11.669 -3.336 -4.896 1.00 15.10 H new ATOM 0 HG22 THR A 37 10.520 -4.402 -4.053 1.00 15.10 H new ATOM 0 HG23 THR A 37 11.761 -5.099 -5.121 1.00 15.10 H new ATOM 600 N MET A 38 7.038 -4.614 -7.078 1.00 41.33 N ATOM 601 CA MET A 38 5.942 -4.288 -8.026 1.00 33.43 C ATOM 602 C MET A 38 5.538 -2.817 -7.840 1.00 62.35 C ATOM 603 O MET A 38 4.967 -2.463 -6.808 1.00 50.11 O ATOM 604 CB MET A 38 4.709 -5.218 -7.790 1.00 44.23 C ATOM 605 CG MET A 38 4.901 -6.680 -8.233 1.00 64.14 C ATOM 606 SD MET A 38 5.076 -6.863 -10.018 1.00 51.14 S ATOM 607 CE MET A 38 3.490 -6.254 -10.585 1.00 3.02 C ATOM 0 H MET A 38 6.838 -4.334 -6.118 1.00 41.33 H new ATOM 0 HA MET A 38 6.294 -4.448 -9.045 1.00 33.43 H new ATOM 0 HB2 MET A 38 4.462 -5.206 -6.729 1.00 44.23 H new ATOM 0 HB3 MET A 38 3.853 -4.803 -8.322 1.00 44.23 H new ATOM 0 HG2 MET A 38 5.785 -7.088 -7.744 1.00 64.14 H new ATOM 0 HG3 MET A 38 4.049 -7.270 -7.895 1.00 64.14 H new ATOM 0 HE1 MET A 38 3.291 -6.634 -11.587 1.00 3.02 H new ATOM 0 HE2 MET A 38 2.707 -6.592 -9.907 1.00 3.02 H new ATOM 0 HE3 MET A 38 3.505 -5.164 -10.607 1.00 3.02 H new ATOM 617 N ASP A 39 5.875 -1.958 -8.815 1.00 31.34 N ATOM 618 CA ASP A 39 5.547 -0.517 -8.783 1.00 41.10 C ATOM 619 C ASP A 39 4.140 -0.241 -9.352 1.00 54.31 C ATOM 620 O ASP A 39 3.720 -0.851 -10.339 1.00 13.12 O ATOM 621 CB ASP A 39 6.614 0.278 -9.585 1.00 74.00 C ATOM 622 CG ASP A 39 6.622 -0.035 -11.100 1.00 61.10 C ATOM 623 OD1 ASP A 39 6.911 -1.194 -11.483 1.00 61.45 O ATOM 624 OD2 ASP A 39 6.327 0.865 -11.915 1.00 2.33 O ATOM 0 H ASP A 39 6.384 -2.241 -9.652 1.00 31.34 H new ATOM 0 HA ASP A 39 5.551 -0.191 -7.743 1.00 41.10 H new ATOM 0 HB2 ASP A 39 6.439 1.345 -9.445 1.00 74.00 H new ATOM 0 HB3 ASP A 39 7.600 0.060 -9.174 1.00 74.00 H new ATOM 629 N PHE A 40 3.396 0.659 -8.689 1.00 21.33 N ATOM 630 CA PHE A 40 2.098 1.180 -9.183 1.00 33.05 C ATOM 631 C PHE A 40 2.126 2.723 -9.076 1.00 2.14 C ATOM 632 O PHE A 40 1.584 3.289 -8.119 1.00 53.11 O ATOM 633 CB PHE A 40 0.907 0.566 -8.373 1.00 53.40 C ATOM 634 CG PHE A 40 1.037 -0.941 -8.143 1.00 13.12 C ATOM 635 CD1 PHE A 40 0.701 -1.852 -9.142 1.00 22.33 C ATOM 636 CD2 PHE A 40 1.541 -1.442 -6.940 1.00 51.03 C ATOM 637 CE1 PHE A 40 0.852 -3.207 -8.943 1.00 41.10 C ATOM 638 CE2 PHE A 40 1.695 -2.796 -6.751 1.00 4.01 C ATOM 639 CZ PHE A 40 1.351 -3.678 -7.750 1.00 63.50 C ATOM 0 H PHE A 40 3.674 1.052 -7.790 1.00 21.33 H new ATOM 0 HA PHE A 40 1.948 0.892 -10.224 1.00 33.05 H new ATOM 0 HB2 PHE A 40 0.837 1.068 -7.408 1.00 53.40 H new ATOM 0 HB3 PHE A 40 -0.024 0.765 -8.904 1.00 53.40 H new ATOM 0 HD1 PHE A 40 0.317 -1.491 -10.085 1.00 22.33 H new ATOM 0 HD2 PHE A 40 1.813 -0.758 -6.149 1.00 51.03 H new ATOM 0 HE1 PHE A 40 0.578 -3.901 -9.724 1.00 41.10 H new ATOM 0 HE2 PHE A 40 2.087 -3.168 -5.816 1.00 4.01 H new ATOM 0 HZ PHE A 40 1.473 -4.740 -7.598 1.00 63.50 H new ATOM 649 N PRO A 41 2.828 3.438 -10.026 1.00 4.54 N ATOM 650 CA PRO A 41 2.973 4.925 -9.977 1.00 24.14 C ATOM 651 C PRO A 41 1.643 5.675 -10.233 1.00 54.15 C ATOM 652 O PRO A 41 1.512 6.856 -9.891 1.00 53.12 O ATOM 653 CB PRO A 41 4.023 5.210 -11.088 1.00 22.05 C ATOM 654 CG PRO A 41 3.878 4.069 -12.053 1.00 22.02 C ATOM 655 CD PRO A 41 3.559 2.861 -11.197 1.00 4.10 C ATOM 0 HA PRO A 41 3.276 5.278 -8.991 1.00 24.14 H new ATOM 0 HB2 PRO A 41 3.834 6.167 -11.575 1.00 22.05 H new ATOM 0 HB3 PRO A 41 5.032 5.255 -10.677 1.00 22.05 H new ATOM 0 HG2 PRO A 41 3.083 4.262 -12.774 1.00 22.02 H new ATOM 0 HG3 PRO A 41 4.795 3.917 -12.623 1.00 22.02 H new ATOM 0 HD2 PRO A 41 2.945 2.139 -11.736 1.00 4.10 H new ATOM 0 HD3 PRO A 41 4.465 2.340 -10.886 1.00 4.10 H new ATOM 663 N THR A 42 0.669 4.969 -10.829 1.00 2.20 N ATOM 664 CA THR A 42 -0.658 5.511 -11.169 1.00 50.42 C ATOM 665 C THR A 42 -1.762 4.485 -10.796 1.00 54.24 C ATOM 666 O THR A 42 -1.466 3.286 -10.662 1.00 3.33 O ATOM 667 CB THR A 42 -0.738 5.858 -12.704 1.00 52.24 C ATOM 668 OG1 THR A 42 -0.276 4.741 -13.489 1.00 13.34 O ATOM 669 CG2 THR A 42 0.068 7.122 -13.072 1.00 1.21 C ATOM 0 H THR A 42 0.782 3.990 -11.093 1.00 2.20 H new ATOM 0 HA THR A 42 -0.815 6.427 -10.599 1.00 50.42 H new ATOM 0 HB THR A 42 -1.785 6.065 -12.928 1.00 52.24 H new ATOM 0 HG1 THR A 42 -0.331 4.965 -14.441 1.00 13.34 H new ATOM 0 HG21 THR A 42 -0.023 7.313 -14.141 1.00 1.21 H new ATOM 0 HG22 THR A 42 -0.320 7.976 -12.516 1.00 1.21 H new ATOM 0 HG23 THR A 42 1.117 6.971 -12.819 1.00 1.21 H new ATOM 677 N PRO A 43 -3.052 4.937 -10.581 1.00 74.50 N ATOM 678 CA PRO A 43 -4.203 4.012 -10.371 1.00 62.43 C ATOM 679 C PRO A 43 -4.473 3.115 -11.597 1.00 42.03 C ATOM 680 O PRO A 43 -5.058 2.036 -11.467 1.00 65.35 O ATOM 681 CB PRO A 43 -5.396 4.964 -10.064 1.00 45.51 C ATOM 682 CG PRO A 43 -4.985 6.298 -10.623 1.00 21.43 C ATOM 683 CD PRO A 43 -3.477 6.362 -10.465 1.00 73.13 C ATOM 0 HA PRO A 43 -4.018 3.302 -9.565 1.00 62.43 H new ATOM 0 HB2 PRO A 43 -6.315 4.608 -10.529 1.00 45.51 H new ATOM 0 HB3 PRO A 43 -5.585 5.027 -8.992 1.00 45.51 H new ATOM 0 HG2 PRO A 43 -5.273 6.389 -11.670 1.00 21.43 H new ATOM 0 HG3 PRO A 43 -5.470 7.114 -10.087 1.00 21.43 H new ATOM 0 HD2 PRO A 43 -3.019 6.981 -11.236 1.00 73.13 H new ATOM 0 HD3 PRO A 43 -3.192 6.788 -9.503 1.00 73.13 H new ATOM 691 N ALA A 44 -4.039 3.578 -12.789 1.00 33.42 N ATOM 692 CA ALA A 44 -4.055 2.767 -14.018 1.00 2.23 C ATOM 693 C ALA A 44 -3.088 1.580 -13.882 1.00 72.55 C ATOM 694 O ALA A 44 -3.458 0.437 -14.171 1.00 14.44 O ATOM 695 CB ALA A 44 -3.699 3.629 -15.242 1.00 25.31 C ATOM 0 H ALA A 44 -3.670 4.520 -12.923 1.00 33.42 H new ATOM 0 HA ALA A 44 -5.062 2.376 -14.165 1.00 2.23 H new ATOM 0 HB1 ALA A 44 -3.716 3.011 -16.140 1.00 25.31 H new ATOM 0 HB2 ALA A 44 -4.425 4.436 -15.343 1.00 25.31 H new ATOM 0 HB3 ALA A 44 -2.703 4.052 -15.112 1.00 25.31 H new ATOM 701 N ALA A 45 -1.860 1.876 -13.412 1.00 73.12 N ATOM 702 CA ALA A 45 -0.795 0.877 -13.184 1.00 3.21 C ATOM 703 C ALA A 45 -1.164 -0.171 -12.111 1.00 73.40 C ATOM 704 O ALA A 45 -0.611 -1.283 -12.106 1.00 34.31 O ATOM 705 CB ALA A 45 0.506 1.598 -12.803 1.00 45.34 C ATOM 0 H ALA A 45 -1.576 2.827 -13.177 1.00 73.12 H new ATOM 0 HA ALA A 45 -0.663 0.326 -14.115 1.00 3.21 H new ATOM 0 HB1 ALA A 45 1.293 0.863 -12.634 1.00 45.34 H new ATOM 0 HB2 ALA A 45 0.801 2.267 -13.611 1.00 45.34 H new ATOM 0 HB3 ALA A 45 0.348 2.176 -11.893 1.00 45.34 H new ATOM 711 N ALA A 46 -2.116 0.180 -11.225 1.00 11.23 N ATOM 712 CA ALA A 46 -2.573 -0.681 -10.115 1.00 53.24 C ATOM 713 C ALA A 46 -3.271 -1.984 -10.568 1.00 44.05 C ATOM 714 O ALA A 46 -3.550 -2.842 -9.727 1.00 35.12 O ATOM 715 CB ALA A 46 -3.496 0.122 -9.198 1.00 54.43 C ATOM 0 H ALA A 46 -2.595 1.080 -11.260 1.00 11.23 H new ATOM 0 HA ALA A 46 -1.678 -0.999 -9.581 1.00 53.24 H new ATOM 0 HB1 ALA A 46 -3.835 -0.511 -8.378 1.00 54.43 H new ATOM 0 HB2 ALA A 46 -2.954 0.978 -8.796 1.00 54.43 H new ATOM 0 HB3 ALA A 46 -4.358 0.472 -9.766 1.00 54.43 H new ATOM 721 N PHE A 47 -3.536 -2.136 -11.887 1.00 72.35 N ATOM 722 CA PHE A 47 -4.220 -3.329 -12.448 1.00 4.24 C ATOM 723 C PHE A 47 -3.432 -4.645 -12.189 1.00 11.00 C ATOM 724 O PHE A 47 -3.996 -5.737 -12.247 1.00 51.21 O ATOM 725 CB PHE A 47 -4.499 -3.146 -13.971 1.00 23.41 C ATOM 726 CG PHE A 47 -3.275 -3.259 -14.902 1.00 70.23 C ATOM 727 CD1 PHE A 47 -2.277 -2.289 -14.902 1.00 63.14 C ATOM 728 CD2 PHE A 47 -3.141 -4.328 -15.789 1.00 50.03 C ATOM 729 CE1 PHE A 47 -1.189 -2.380 -15.747 1.00 30.41 C ATOM 730 CE2 PHE A 47 -2.051 -4.419 -16.631 1.00 45.02 C ATOM 731 CZ PHE A 47 -1.076 -3.446 -16.612 1.00 70.34 C ATOM 0 H PHE A 47 -3.284 -1.441 -12.590 1.00 72.35 H new ATOM 0 HA PHE A 47 -5.172 -3.419 -11.925 1.00 4.24 H new ATOM 0 HB2 PHE A 47 -5.233 -3.891 -14.277 1.00 23.41 H new ATOM 0 HB3 PHE A 47 -4.956 -2.168 -14.121 1.00 23.41 H new ATOM 0 HD1 PHE A 47 -2.355 -1.449 -14.228 1.00 63.14 H new ATOM 0 HD2 PHE A 47 -3.901 -5.095 -15.817 1.00 50.03 H new ATOM 0 HE1 PHE A 47 -0.426 -1.615 -15.730 1.00 30.41 H new ATOM 0 HE2 PHE A 47 -1.962 -5.256 -17.307 1.00 45.02 H new ATOM 0 HZ PHE A 47 -0.225 -3.519 -17.273 1.00 70.34 H new ATOM 741 N ARG A 48 -2.133 -4.522 -11.889 1.00 41.04 N ATOM 742 CA ARG A 48 -1.245 -5.677 -11.645 1.00 52.33 C ATOM 743 C ARG A 48 -1.349 -6.238 -10.198 1.00 2.40 C ATOM 744 O ARG A 48 -0.653 -7.206 -9.861 1.00 23.11 O ATOM 745 CB ARG A 48 0.211 -5.283 -12.001 1.00 25.14 C ATOM 746 CG ARG A 48 0.439 -5.000 -13.503 1.00 2.52 C ATOM 747 CD ARG A 48 1.925 -4.851 -13.860 1.00 71.43 C ATOM 748 NE ARG A 48 2.566 -3.708 -13.179 1.00 43.00 N ATOM 749 CZ ARG A 48 3.897 -3.531 -13.049 1.00 54.52 C ATOM 750 NH1 ARG A 48 4.756 -4.419 -13.541 1.00 33.23 N ATOM 751 NH2 ARG A 48 4.361 -2.454 -12.436 1.00 72.03 N ATOM 0 H ARG A 48 -1.663 -3.620 -11.807 1.00 41.04 H new ATOM 0 HA ARG A 48 -1.572 -6.492 -12.291 1.00 52.33 H new ATOM 0 HB2 ARG A 48 0.486 -4.397 -11.429 1.00 25.14 H new ATOM 0 HB3 ARG A 48 0.880 -6.085 -11.688 1.00 25.14 H new ATOM 0 HG2 ARG A 48 0.008 -5.811 -14.091 1.00 2.52 H new ATOM 0 HG3 ARG A 48 -0.090 -4.089 -13.781 1.00 2.52 H new ATOM 0 HD2 ARG A 48 2.451 -5.768 -13.594 1.00 71.43 H new ATOM 0 HD3 ARG A 48 2.024 -4.728 -14.938 1.00 71.43 H new ATOM 0 HE ARG A 48 1.955 -2.998 -12.776 1.00 43.00 H new ATOM 0 HH11 ARG A 48 4.411 -5.248 -14.025 1.00 33.23 H new ATOM 0 HH12 ARG A 48 5.760 -4.271 -13.435 1.00 33.23 H new ATOM 0 HH21 ARG A 48 3.713 -1.760 -12.063 1.00 72.03 H new ATOM 0 HH22 ARG A 48 5.367 -2.318 -12.336 1.00 72.03 H new ATOM 765 N SER A 49 -2.240 -5.653 -9.366 1.00 55.40 N ATOM 766 CA SER A 49 -2.508 -6.128 -7.989 1.00 43.14 C ATOM 767 C SER A 49 -3.889 -5.634 -7.514 1.00 74.22 C ATOM 768 O SER A 49 -4.142 -4.429 -7.565 1.00 50.44 O ATOM 769 CB SER A 49 -1.418 -5.625 -7.011 1.00 53.43 C ATOM 770 OG SER A 49 -1.787 -5.824 -5.650 1.00 50.30 O ATOM 0 H SER A 49 -2.794 -4.838 -9.630 1.00 55.40 H new ATOM 0 HA SER A 49 -2.496 -7.218 -8.000 1.00 43.14 H new ATOM 0 HB2 SER A 49 -0.482 -6.146 -7.212 1.00 53.43 H new ATOM 0 HB3 SER A 49 -1.236 -4.565 -7.186 1.00 53.43 H new ATOM 0 HG SER A 49 -1.656 -6.765 -5.410 1.00 50.30 H new ATOM 776 N PRO A 50 -4.796 -6.539 -7.003 1.00 71.11 N ATOM 777 CA PRO A 50 -6.108 -6.126 -6.451 1.00 14.10 C ATOM 778 C PRO A 50 -5.945 -5.298 -5.162 1.00 32.10 C ATOM 779 O PRO A 50 -6.736 -4.390 -4.913 1.00 35.30 O ATOM 780 CB PRO A 50 -6.860 -7.462 -6.190 1.00 55.12 C ATOM 781 CG PRO A 50 -6.046 -8.519 -6.886 1.00 74.55 C ATOM 782 CD PRO A 50 -4.619 -8.005 -6.914 1.00 0.21 C ATOM 0 HA PRO A 50 -6.656 -5.477 -7.134 1.00 14.10 H new ATOM 0 HB2 PRO A 50 -6.939 -7.666 -5.122 1.00 55.12 H new ATOM 0 HB3 PRO A 50 -7.876 -7.425 -6.584 1.00 55.12 H new ATOM 0 HG2 PRO A 50 -6.107 -9.469 -6.356 1.00 74.55 H new ATOM 0 HG3 PRO A 50 -6.417 -8.693 -7.896 1.00 74.55 H new ATOM 0 HD2 PRO A 50 -4.069 -8.292 -6.018 1.00 0.21 H new ATOM 0 HD3 PRO A 50 -4.065 -8.397 -7.767 1.00 0.21 H new ATOM 790 N LEU A 51 -4.881 -5.601 -4.378 1.00 23.13 N ATOM 791 CA LEU A 51 -4.570 -4.882 -3.126 1.00 73.51 C ATOM 792 C LEU A 51 -4.200 -3.436 -3.448 1.00 20.20 C ATOM 793 O LEU A 51 -4.630 -2.513 -2.754 1.00 34.53 O ATOM 794 CB LEU A 51 -3.412 -5.581 -2.353 1.00 63.43 C ATOM 795 CG LEU A 51 -2.971 -4.928 -0.994 1.00 64.12 C ATOM 796 CD1 LEU A 51 -4.150 -4.781 -0.014 1.00 40.21 C ATOM 797 CD2 LEU A 51 -1.818 -5.723 -0.347 1.00 25.21 C ATOM 0 H LEU A 51 -4.220 -6.347 -4.597 1.00 23.13 H new ATOM 0 HA LEU A 51 -5.452 -4.895 -2.486 1.00 73.51 H new ATOM 0 HB2 LEU A 51 -3.709 -6.611 -2.154 1.00 63.43 H new ATOM 0 HB3 LEU A 51 -2.542 -5.621 -3.008 1.00 63.43 H new ATOM 0 HG LEU A 51 -2.612 -3.925 -1.223 1.00 64.12 H new ATOM 0 HD11 LEU A 51 -3.799 -4.325 0.912 1.00 40.21 H new ATOM 0 HD12 LEU A 51 -4.918 -4.150 -0.461 1.00 40.21 H new ATOM 0 HD13 LEU A 51 -4.569 -5.764 0.202 1.00 40.21 H new ATOM 0 HD21 LEU A 51 -1.532 -5.250 0.592 1.00 25.21 H new ATOM 0 HD22 LEU A 51 -2.144 -6.745 -0.154 1.00 25.21 H new ATOM 0 HD23 LEU A 51 -0.962 -5.737 -1.022 1.00 25.21 H new ATOM 809 N ALA A 52 -3.417 -3.263 -4.535 1.00 42.30 N ATOM 810 CA ALA A 52 -3.015 -1.937 -5.026 1.00 42.10 C ATOM 811 C ALA A 52 -4.255 -1.118 -5.402 1.00 20.24 C ATOM 812 O ALA A 52 -4.393 0.021 -4.961 1.00 52.13 O ATOM 813 CB ALA A 52 -2.065 -2.066 -6.221 1.00 51.21 C ATOM 0 H ALA A 52 -3.051 -4.036 -5.090 1.00 42.30 H new ATOM 0 HA ALA A 52 -2.483 -1.417 -4.230 1.00 42.10 H new ATOM 0 HB1 ALA A 52 -1.780 -1.073 -6.568 1.00 51.21 H new ATOM 0 HB2 ALA A 52 -1.173 -2.614 -5.919 1.00 51.21 H new ATOM 0 HB3 ALA A 52 -2.565 -2.603 -7.027 1.00 51.21 H new ATOM 819 N ARG A 53 -5.177 -1.749 -6.172 1.00 25.42 N ATOM 820 CA ARG A 53 -6.452 -1.125 -6.611 1.00 64.00 C ATOM 821 C ARG A 53 -7.250 -0.591 -5.398 1.00 1.50 C ATOM 822 O ARG A 53 -7.761 0.535 -5.421 1.00 55.45 O ATOM 823 CB ARG A 53 -7.339 -2.144 -7.394 1.00 72.21 C ATOM 824 CG ARG A 53 -6.668 -2.822 -8.610 1.00 63.24 C ATOM 825 CD ARG A 53 -7.570 -3.887 -9.272 1.00 52.34 C ATOM 826 NE ARG A 53 -6.844 -4.726 -10.254 1.00 14.12 N ATOM 827 CZ ARG A 53 -7.275 -5.920 -10.717 1.00 3.52 C ATOM 828 NH1 ARG A 53 -8.418 -6.446 -10.287 1.00 3.33 N ATOM 829 NH2 ARG A 53 -6.569 -6.587 -11.616 1.00 61.44 N ATOM 0 H ARG A 53 -5.058 -2.705 -6.506 1.00 25.42 H new ATOM 0 HA ARG A 53 -6.195 -0.296 -7.270 1.00 64.00 H new ATOM 0 HB2 ARG A 53 -7.664 -2.921 -6.702 1.00 72.21 H new ATOM 0 HB3 ARG A 53 -8.235 -1.628 -7.738 1.00 72.21 H new ATOM 0 HG2 ARG A 53 -6.409 -2.062 -9.347 1.00 63.24 H new ATOM 0 HG3 ARG A 53 -5.736 -3.288 -8.292 1.00 63.24 H new ATOM 0 HD2 ARG A 53 -7.996 -4.527 -8.499 1.00 52.34 H new ATOM 0 HD3 ARG A 53 -8.403 -3.392 -9.770 1.00 52.34 H new ATOM 0 HE ARG A 53 -5.953 -4.376 -10.607 1.00 14.12 H new ATOM 0 HH11 ARG A 53 -8.982 -5.947 -9.599 1.00 3.33 H new ATOM 0 HH12 ARG A 53 -8.731 -7.348 -10.645 1.00 3.33 H new ATOM 0 HH21 ARG A 53 -5.692 -6.200 -11.965 1.00 61.44 H new ATOM 0 HH22 ARG A 53 -6.902 -7.488 -11.960 1.00 61.44 H new ATOM 843 N GLN A 54 -7.305 -1.424 -4.335 1.00 74.33 N ATOM 844 CA GLN A 54 -8.049 -1.133 -3.094 1.00 74.30 C ATOM 845 C GLN A 54 -7.366 -0.010 -2.275 1.00 22.12 C ATOM 846 O GLN A 54 -8.044 0.750 -1.573 1.00 11.20 O ATOM 847 CB GLN A 54 -8.178 -2.424 -2.242 1.00 51.25 C ATOM 848 CG GLN A 54 -8.981 -3.573 -2.889 1.00 5.53 C ATOM 849 CD GLN A 54 -8.920 -4.887 -2.091 1.00 21.23 C ATOM 850 OE1 GLN A 54 -7.938 -5.167 -1.399 1.00 31.53 O ATOM 851 NE2 GLN A 54 -9.956 -5.709 -2.190 1.00 22.30 N ATOM 0 H GLN A 54 -6.829 -2.326 -4.317 1.00 74.33 H new ATOM 0 HA GLN A 54 -9.044 -0.782 -3.368 1.00 74.30 H new ATOM 0 HB2 GLN A 54 -7.177 -2.788 -2.013 1.00 51.25 H new ATOM 0 HB3 GLN A 54 -8.648 -2.166 -1.293 1.00 51.25 H new ATOM 0 HG2 GLN A 54 -10.022 -3.266 -2.990 1.00 5.53 H new ATOM 0 HG3 GLN A 54 -8.601 -3.750 -3.895 1.00 5.53 H new ATOM 0 HE21 GLN A 54 -10.756 -5.454 -2.769 1.00 22.30 H new ATOM 0 HE22 GLN A 54 -9.953 -6.596 -1.687 1.00 22.30 H new ATOM 860 N LEU A 55 -6.023 0.072 -2.359 1.00 15.02 N ATOM 861 CA LEU A 55 -5.242 1.150 -1.715 1.00 0.22 C ATOM 862 C LEU A 55 -5.477 2.497 -2.436 1.00 33.54 C ATOM 863 O LEU A 55 -5.564 3.532 -1.790 1.00 33.21 O ATOM 864 CB LEU A 55 -3.728 0.781 -1.663 1.00 75.02 C ATOM 865 CG LEU A 55 -3.347 -0.398 -0.703 1.00 10.41 C ATOM 866 CD1 LEU A 55 -1.866 -0.799 -0.839 1.00 34.00 C ATOM 867 CD2 LEU A 55 -3.695 -0.065 0.764 1.00 73.11 C ATOM 0 H LEU A 55 -5.452 -0.601 -2.871 1.00 15.02 H new ATOM 0 HA LEU A 55 -5.586 1.262 -0.687 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -3.401 0.525 -2.671 1.00 75.02 H new ATOM 0 HB3 LEU A 55 -3.168 1.666 -1.361 1.00 75.02 H new ATOM 0 HG LEU A 55 -3.946 -1.257 -1.006 1.00 10.41 H new ATOM 0 HD11 LEU A 55 -1.647 -1.619 -0.155 1.00 34.00 H new ATOM 0 HD12 LEU A 55 -1.668 -1.117 -1.863 1.00 34.00 H new ATOM 0 HD13 LEU A 55 -1.234 0.055 -0.595 1.00 34.00 H new ATOM 0 HD21 LEU A 55 -3.418 -0.903 1.403 1.00 73.11 H new ATOM 0 HD22 LEU A 55 -3.147 0.825 1.075 1.00 73.11 H new ATOM 0 HD23 LEU A 55 -4.766 0.119 0.851 1.00 73.11 H new ATOM 879 N PHE A 56 -5.605 2.462 -3.781 1.00 13.23 N ATOM 880 CA PHE A 56 -5.939 3.662 -4.597 1.00 24.15 C ATOM 881 C PHE A 56 -7.417 4.086 -4.414 1.00 0.23 C ATOM 882 O PHE A 56 -7.777 5.233 -4.711 1.00 22.44 O ATOM 883 CB PHE A 56 -5.621 3.419 -6.100 1.00 23.43 C ATOM 884 CG PHE A 56 -4.135 3.506 -6.451 1.00 62.51 C ATOM 885 CD1 PHE A 56 -3.549 4.733 -6.738 1.00 55.45 C ATOM 886 CD2 PHE A 56 -3.332 2.374 -6.518 1.00 14.22 C ATOM 887 CE1 PHE A 56 -2.220 4.813 -7.077 1.00 54.32 C ATOM 888 CE2 PHE A 56 -2.000 2.461 -6.854 1.00 25.13 C ATOM 889 CZ PHE A 56 -1.446 3.679 -7.137 1.00 74.05 C ATOM 0 H PHE A 56 -5.482 1.612 -4.332 1.00 13.23 H new ATOM 0 HA PHE A 56 -5.314 4.480 -4.240 1.00 24.15 H new ATOM 0 HB2 PHE A 56 -5.992 2.434 -6.383 1.00 23.43 H new ATOM 0 HB3 PHE A 56 -6.167 4.149 -6.697 1.00 23.43 H new ATOM 0 HD1 PHE A 56 -4.144 5.633 -6.694 1.00 55.45 H new ATOM 0 HD2 PHE A 56 -3.761 1.407 -6.302 1.00 14.22 H new ATOM 0 HE1 PHE A 56 -1.780 5.774 -7.298 1.00 54.32 H new ATOM 0 HE2 PHE A 56 -1.393 1.569 -6.894 1.00 25.13 H new ATOM 0 HZ PHE A 56 -0.403 3.749 -7.407 1.00 74.05 H new ATOM 899 N ARG A 57 -8.267 3.151 -3.931 1.00 73.32 N ATOM 900 CA ARG A 57 -9.674 3.444 -3.556 1.00 14.12 C ATOM 901 C ARG A 57 -9.748 4.371 -2.321 1.00 11.34 C ATOM 902 O ARG A 57 -10.812 4.937 -2.024 1.00 2.24 O ATOM 903 CB ARG A 57 -10.461 2.135 -3.277 1.00 41.33 C ATOM 904 CG ARG A 57 -10.835 1.312 -4.530 1.00 61.23 C ATOM 905 CD ARG A 57 -11.615 0.034 -4.170 1.00 54.14 C ATOM 906 NE ARG A 57 -12.793 0.326 -3.327 1.00 51.32 N ATOM 907 CZ ARG A 57 -13.406 -0.550 -2.508 1.00 54.32 C ATOM 908 NH1 ARG A 57 -12.975 -1.803 -2.388 1.00 1.03 N ATOM 909 NH2 ARG A 57 -14.451 -0.152 -1.793 1.00 62.35 N ATOM 0 H ARG A 57 -8.001 2.176 -3.790 1.00 73.32 H new ATOM 0 HA ARG A 57 -10.131 3.957 -4.402 1.00 14.12 H new ATOM 0 HB2 ARG A 57 -9.866 1.507 -2.614 1.00 41.33 H new ATOM 0 HB3 ARG A 57 -11.376 2.387 -2.741 1.00 41.33 H new ATOM 0 HG2 ARG A 57 -11.436 1.926 -5.201 1.00 61.23 H new ATOM 0 HG3 ARG A 57 -9.928 1.043 -5.071 1.00 61.23 H new ATOM 0 HD2 ARG A 57 -11.938 -0.464 -5.084 1.00 54.14 H new ATOM 0 HD3 ARG A 57 -10.956 -0.658 -3.646 1.00 54.14 H new ATOM 0 HE ARG A 57 -13.174 1.271 -3.369 1.00 51.32 H new ATOM 0 HH11 ARG A 57 -12.165 -2.117 -2.922 1.00 1.03 H new ATOM 0 HH12 ARG A 57 -13.455 -2.450 -1.762 1.00 1.03 H new ATOM 0 HH21 ARG A 57 -14.783 0.810 -1.867 1.00 62.35 H new ATOM 0 HH22 ARG A 57 -14.922 -0.808 -1.170 1.00 62.35 H new ATOM 923 N ILE A 58 -8.619 4.502 -1.604 1.00 42.20 N ATOM 924 CA ILE A 58 -8.481 5.406 -0.461 1.00 72.24 C ATOM 925 C ILE A 58 -8.072 6.782 -1.006 1.00 11.54 C ATOM 926 O ILE A 58 -7.031 6.904 -1.678 1.00 34.42 O ATOM 927 CB ILE A 58 -7.389 4.871 0.543 1.00 44.43 C ATOM 928 CG1 ILE A 58 -7.689 3.381 0.925 1.00 52.33 C ATOM 929 CG2 ILE A 58 -7.281 5.776 1.800 1.00 41.13 C ATOM 930 CD1 ILE A 58 -6.568 2.669 1.664 1.00 2.55 C ATOM 0 H ILE A 58 -7.770 3.975 -1.808 1.00 42.20 H new ATOM 0 HA ILE A 58 -9.423 5.472 0.083 1.00 72.24 H new ATOM 0 HB ILE A 58 -6.419 4.905 0.047 1.00 44.43 H new ATOM 0 HG12 ILE A 58 -8.586 3.354 1.543 1.00 52.33 H new ATOM 0 HG13 ILE A 58 -7.913 2.826 0.014 1.00 52.33 H new ATOM 0 HG21 ILE A 58 -6.519 5.378 2.470 1.00 41.13 H new ATOM 0 HG22 ILE A 58 -7.007 6.787 1.498 1.00 41.13 H new ATOM 0 HG23 ILE A 58 -8.241 5.799 2.315 1.00 41.13 H new ATOM 0 HD11 ILE A 58 -6.870 1.645 1.884 1.00 2.55 H new ATOM 0 HD12 ILE A 58 -5.673 2.657 1.043 1.00 2.55 H new ATOM 0 HD13 ILE A 58 -6.356 3.193 2.596 1.00 2.55 H new ATOM 942 N GLU A 59 -8.913 7.799 -0.761 1.00 2.23 N ATOM 943 CA GLU A 59 -8.640 9.178 -1.194 1.00 73.12 C ATOM 944 C GLU A 59 -7.423 9.733 -0.425 1.00 73.25 C ATOM 945 O GLU A 59 -7.362 9.662 0.814 1.00 13.11 O ATOM 946 CB GLU A 59 -9.890 10.082 -1.012 1.00 4.12 C ATOM 947 CG GLU A 59 -10.517 10.029 0.393 1.00 2.04 C ATOM 948 CD GLU A 59 -11.773 10.896 0.518 1.00 34.13 C ATOM 949 OE1 GLU A 59 -12.857 10.460 0.066 1.00 21.34 O ATOM 950 OE2 GLU A 59 -11.682 12.015 1.063 1.00 35.03 O ATOM 0 H GLU A 59 -9.795 7.690 -0.261 1.00 2.23 H new ATOM 0 HA GLU A 59 -8.404 9.173 -2.258 1.00 73.12 H new ATOM 0 HB2 GLU A 59 -9.613 11.113 -1.234 1.00 4.12 H new ATOM 0 HB3 GLU A 59 -10.643 9.790 -1.744 1.00 4.12 H new ATOM 0 HG2 GLU A 59 -10.769 8.996 0.634 1.00 2.04 H new ATOM 0 HG3 GLU A 59 -9.781 10.357 1.127 1.00 2.04 H new ATOM 957 N GLY A 60 -6.452 10.248 -1.183 1.00 0.42 N ATOM 958 CA GLY A 60 -5.178 10.702 -0.645 1.00 75.25 C ATOM 959 C GLY A 60 -4.003 9.930 -1.232 1.00 70.23 C ATOM 960 O GLY A 60 -2.896 10.454 -1.291 1.00 15.43 O ATOM 0 H GLY A 60 -6.533 10.360 -2.194 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -5.054 11.765 -0.854 1.00 75.25 H new ATOM 0 HA3 GLY A 60 -5.181 10.588 0.439 1.00 75.25 H new ATOM 964 N VAL A 61 -4.248 8.677 -1.664 1.00 34.21 N ATOM 965 CA VAL A 61 -3.211 7.795 -2.227 1.00 30.42 C ATOM 966 C VAL A 61 -2.919 8.171 -3.699 1.00 40.24 C ATOM 967 O VAL A 61 -3.797 8.077 -4.561 1.00 41.14 O ATOM 968 CB VAL A 61 -3.641 6.288 -2.115 1.00 1.14 C ATOM 969 CG1 VAL A 61 -2.635 5.344 -2.821 1.00 74.25 C ATOM 970 CG2 VAL A 61 -3.834 5.886 -0.631 1.00 33.15 C ATOM 0 H VAL A 61 -5.173 8.249 -1.631 1.00 34.21 H new ATOM 0 HA VAL A 61 -2.297 7.931 -1.650 1.00 30.42 H new ATOM 0 HB VAL A 61 -4.595 6.180 -2.630 1.00 1.14 H new ATOM 0 HG11 VAL A 61 -2.971 4.312 -2.719 1.00 74.25 H new ATOM 0 HG12 VAL A 61 -2.574 5.603 -3.878 1.00 74.25 H new ATOM 0 HG13 VAL A 61 -1.652 5.452 -2.363 1.00 74.25 H new ATOM 0 HG21 VAL A 61 -4.132 4.839 -0.573 1.00 33.15 H new ATOM 0 HG22 VAL A 61 -2.898 6.027 -0.091 1.00 33.15 H new ATOM 0 HG23 VAL A 61 -4.609 6.509 -0.183 1.00 33.15 H new ATOM 980 N LYS A 62 -1.675 8.608 -3.954 1.00 52.33 N ATOM 981 CA LYS A 62 -1.189 9.018 -5.285 1.00 55.25 C ATOM 982 C LYS A 62 -0.573 7.833 -6.036 1.00 53.21 C ATOM 983 O LYS A 62 -0.802 7.656 -7.243 1.00 15.23 O ATOM 984 CB LYS A 62 -0.125 10.135 -5.137 1.00 21.15 C ATOM 985 CG LYS A 62 0.352 10.776 -6.464 1.00 30.21 C ATOM 986 CD LYS A 62 -0.820 11.361 -7.290 1.00 10.42 C ATOM 987 CE LYS A 62 -0.381 11.923 -8.651 1.00 33.23 C ATOM 988 NZ LYS A 62 0.435 13.164 -8.532 1.00 1.45 N ATOM 0 H LYS A 62 -0.964 8.688 -3.227 1.00 52.33 H new ATOM 0 HA LYS A 62 -2.041 9.389 -5.855 1.00 55.25 H new ATOM 0 HB2 LYS A 62 -0.532 10.920 -4.500 1.00 21.15 H new ATOM 0 HB3 LYS A 62 0.741 9.722 -4.620 1.00 21.15 H new ATOM 0 HG2 LYS A 62 1.069 11.567 -6.245 1.00 30.21 H new ATOM 0 HG3 LYS A 62 0.875 10.027 -7.059 1.00 30.21 H new ATOM 0 HD2 LYS A 62 -1.567 10.584 -7.449 1.00 10.42 H new ATOM 0 HD3 LYS A 62 -1.301 12.153 -6.716 1.00 10.42 H new ATOM 0 HE2 LYS A 62 0.195 11.165 -9.182 1.00 33.23 H new ATOM 0 HE3 LYS A 62 -1.265 12.132 -9.254 1.00 33.23 H new ATOM 0 HZ1 LYS A 62 0.702 13.496 -9.481 1.00 1.45 H new ATOM 0 HZ2 LYS A 62 -0.120 13.900 -8.051 1.00 1.45 H new ATOM 0 HZ3 LYS A 62 1.294 12.963 -7.981 1.00 1.45 H new ATOM 1002 N SER A 63 0.206 7.031 -5.299 1.00 33.21 N ATOM 1003 CA SER A 63 1.004 5.933 -5.851 1.00 2.32 C ATOM 1004 C SER A 63 1.331 4.934 -4.742 1.00 75.13 C ATOM 1005 O SER A 63 1.535 5.319 -3.592 1.00 32.53 O ATOM 1006 CB SER A 63 2.291 6.469 -6.523 1.00 40.21 C ATOM 1007 OG SER A 63 2.993 7.370 -5.685 1.00 43.54 O ATOM 0 H SER A 63 0.300 7.130 -4.288 1.00 33.21 H new ATOM 0 HA SER A 63 0.426 5.423 -6.622 1.00 2.32 H new ATOM 0 HB2 SER A 63 2.941 5.632 -6.780 1.00 40.21 H new ATOM 0 HB3 SER A 63 2.031 6.969 -7.456 1.00 40.21 H new ATOM 0 HG SER A 63 3.799 7.684 -6.145 1.00 43.54 H new ATOM 1013 N VAL A 64 1.341 3.644 -5.095 1.00 61.30 N ATOM 1014 CA VAL A 64 1.695 2.548 -4.180 1.00 43.53 C ATOM 1015 C VAL A 64 2.862 1.766 -4.789 1.00 71.33 C ATOM 1016 O VAL A 64 2.873 1.502 -5.986 1.00 62.23 O ATOM 1017 CB VAL A 64 0.483 1.575 -3.925 1.00 74.41 C ATOM 1018 CG1 VAL A 64 0.865 0.441 -2.953 1.00 1.11 C ATOM 1019 CG2 VAL A 64 -0.754 2.334 -3.404 1.00 40.15 C ATOM 0 H VAL A 64 1.101 3.326 -6.034 1.00 61.30 H new ATOM 0 HA VAL A 64 1.973 2.978 -3.218 1.00 43.53 H new ATOM 0 HB VAL A 64 0.227 1.129 -4.886 1.00 74.41 H new ATOM 0 HG11 VAL A 64 0.006 -0.212 -2.799 1.00 1.11 H new ATOM 0 HG12 VAL A 64 1.689 -0.136 -3.373 1.00 1.11 H new ATOM 0 HG13 VAL A 64 1.171 0.868 -1.998 1.00 1.11 H new ATOM 0 HG21 VAL A 64 -1.570 1.630 -3.240 1.00 40.15 H new ATOM 0 HG22 VAL A 64 -0.508 2.830 -2.465 1.00 40.15 H new ATOM 0 HG23 VAL A 64 -1.060 3.079 -4.139 1.00 40.15 H new ATOM 1029 N PHE A 65 3.827 1.398 -3.960 1.00 0.22 N ATOM 1030 CA PHE A 65 4.998 0.624 -4.357 1.00 33.45 C ATOM 1031 C PHE A 65 5.113 -0.573 -3.409 1.00 21.34 C ATOM 1032 O PHE A 65 5.263 -0.393 -2.201 1.00 32.34 O ATOM 1033 CB PHE A 65 6.274 1.513 -4.297 1.00 42.34 C ATOM 1034 CG PHE A 65 7.548 0.818 -4.783 1.00 10.24 C ATOM 1035 CD1 PHE A 65 7.864 0.788 -6.138 1.00 31.24 C ATOM 1036 CD2 PHE A 65 8.416 0.174 -3.892 1.00 73.43 C ATOM 1037 CE1 PHE A 65 9.002 0.149 -6.587 1.00 40.22 C ATOM 1038 CE2 PHE A 65 9.550 -0.465 -4.349 1.00 64.02 C ATOM 1039 CZ PHE A 65 9.842 -0.480 -5.695 1.00 43.50 C ATOM 0 H PHE A 65 3.819 1.634 -2.968 1.00 0.22 H new ATOM 0 HA PHE A 65 4.896 0.271 -5.383 1.00 33.45 H new ATOM 0 HB2 PHE A 65 6.109 2.406 -4.899 1.00 42.34 H new ATOM 0 HB3 PHE A 65 6.424 1.844 -3.269 1.00 42.34 H new ATOM 0 HD1 PHE A 65 7.210 1.272 -6.848 1.00 31.24 H new ATOM 0 HD2 PHE A 65 8.195 0.178 -2.835 1.00 73.43 H new ATOM 0 HE1 PHE A 65 9.235 0.142 -7.642 1.00 40.22 H new ATOM 0 HE2 PHE A 65 10.211 -0.955 -3.649 1.00 64.02 H new ATOM 0 HZ PHE A 65 10.728 -0.984 -6.050 1.00 43.50 H new ATOM 1049 N PHE A 66 5.041 -1.786 -3.960 1.00 33.43 N ATOM 1050 CA PHE A 66 5.223 -3.018 -3.186 1.00 73.12 C ATOM 1051 C PHE A 66 6.708 -3.404 -3.229 1.00 53.32 C ATOM 1052 O PHE A 66 7.312 -3.492 -4.304 1.00 52.11 O ATOM 1053 CB PHE A 66 4.355 -4.178 -3.745 1.00 11.34 C ATOM 1054 CG PHE A 66 2.840 -4.107 -3.525 1.00 52.31 C ATOM 1055 CD1 PHE A 66 2.219 -3.038 -2.877 1.00 64.02 C ATOM 1056 CD2 PHE A 66 2.028 -5.151 -3.977 1.00 14.15 C ATOM 1057 CE1 PHE A 66 0.846 -3.016 -2.700 1.00 61.54 C ATOM 1058 CE2 PHE A 66 0.660 -5.120 -3.797 1.00 4.01 C ATOM 1059 CZ PHE A 66 0.071 -4.055 -3.156 1.00 20.24 C ATOM 0 H PHE A 66 4.856 -1.943 -4.951 1.00 33.43 H new ATOM 0 HA PHE A 66 4.904 -2.841 -2.159 1.00 73.12 H new ATOM 0 HB2 PHE A 66 4.535 -4.244 -4.818 1.00 11.34 H new ATOM 0 HB3 PHE A 66 4.714 -5.108 -3.304 1.00 11.34 H new ATOM 0 HD1 PHE A 66 2.817 -2.218 -2.509 1.00 64.02 H new ATOM 0 HD2 PHE A 66 2.479 -5.996 -4.476 1.00 14.15 H new ATOM 0 HE1 PHE A 66 0.382 -2.178 -2.201 1.00 61.54 H new ATOM 0 HE2 PHE A 66 0.050 -5.934 -4.160 1.00 4.01 H new ATOM 0 HZ PHE A 66 -0.999 -4.035 -3.011 1.00 20.24 H new ATOM 1069 N GLY A 67 7.268 -3.621 -2.043 1.00 15.43 N ATOM 1070 CA GLY A 67 8.674 -3.956 -1.842 1.00 22.14 C ATOM 1071 C GLY A 67 8.844 -5.338 -1.223 1.00 32.33 C ATOM 1072 O GLY A 67 7.837 -6.030 -0.988 1.00 32.21 O ATOM 0 H GLY A 67 6.742 -3.567 -1.171 1.00 15.43 H new ATOM 0 HA2 GLY A 67 9.197 -3.919 -2.798 1.00 22.14 H new ATOM 0 HA3 GLY A 67 9.137 -3.209 -1.197 1.00 22.14 H new ATOM 1076 N PRO A 68 10.115 -5.795 -0.984 1.00 2.33 N ATOM 1077 CA PRO A 68 10.404 -7.123 -0.388 1.00 45.42 C ATOM 1078 C PRO A 68 9.764 -7.298 1.008 1.00 64.35 C ATOM 1079 O PRO A 68 10.284 -6.800 2.016 1.00 21.24 O ATOM 1080 CB PRO A 68 11.958 -7.180 -0.350 1.00 54.52 C ATOM 1081 CG PRO A 68 12.396 -5.741 -0.403 1.00 61.54 C ATOM 1082 CD PRO A 68 11.373 -5.048 -1.274 1.00 34.42 C ATOM 0 HA PRO A 68 9.975 -7.942 -0.966 1.00 45.42 H new ATOM 0 HB2 PRO A 68 12.314 -7.669 0.557 1.00 54.52 H new ATOM 0 HB3 PRO A 68 12.354 -7.746 -1.193 1.00 54.52 H new ATOM 0 HG2 PRO A 68 12.427 -5.302 0.594 1.00 61.54 H new ATOM 0 HG3 PRO A 68 13.398 -5.649 -0.823 1.00 61.54 H new ATOM 0 HD2 PRO A 68 11.281 -3.991 -1.023 1.00 34.42 H new ATOM 0 HD3 PRO A 68 11.640 -5.103 -2.329 1.00 34.42 H new ATOM 1090 N ASP A 69 8.572 -7.933 1.002 1.00 23.34 N ATOM 1091 CA ASP A 69 7.807 -8.328 2.209 1.00 20.41 C ATOM 1092 C ASP A 69 7.358 -7.108 3.041 1.00 71.21 C ATOM 1093 O ASP A 69 7.106 -7.200 4.251 1.00 53.32 O ATOM 1094 CB ASP A 69 8.596 -9.375 3.047 1.00 41.34 C ATOM 1095 CG ASP A 69 9.040 -10.607 2.229 1.00 15.12 C ATOM 1096 OD1 ASP A 69 8.339 -10.976 1.258 1.00 60.33 O ATOM 1097 OD2 ASP A 69 10.092 -11.203 2.556 1.00 1.25 O ATOM 0 H ASP A 69 8.101 -8.193 0.135 1.00 23.34 H new ATOM 0 HA ASP A 69 6.887 -8.810 1.878 1.00 20.41 H new ATOM 0 HB2 ASP A 69 9.476 -8.897 3.476 1.00 41.34 H new ATOM 0 HB3 ASP A 69 7.975 -9.706 3.880 1.00 41.34 H new ATOM 1102 N SER A 70 7.194 -5.987 2.333 1.00 3.43 N ATOM 1103 CA SER A 70 6.784 -4.699 2.891 1.00 53.33 C ATOM 1104 C SER A 70 6.079 -3.892 1.788 1.00 33.41 C ATOM 1105 O SER A 70 6.282 -4.150 0.605 1.00 63.43 O ATOM 1106 CB SER A 70 8.026 -3.949 3.437 1.00 4.12 C ATOM 1107 OG SER A 70 9.037 -3.824 2.449 1.00 14.32 O ATOM 0 H SER A 70 7.348 -5.952 1.325 1.00 3.43 H new ATOM 0 HA SER A 70 6.092 -4.841 3.721 1.00 53.33 H new ATOM 0 HB2 SER A 70 7.731 -2.959 3.783 1.00 4.12 H new ATOM 0 HB3 SER A 70 8.424 -4.483 4.300 1.00 4.12 H new ATOM 0 HG SER A 70 9.434 -4.703 2.274 1.00 14.32 H new ATOM 1113 N ILE A 71 5.234 -2.936 2.181 1.00 42.11 N ATOM 1114 CA ILE A 71 4.472 -2.074 1.246 1.00 75.42 C ATOM 1115 C ILE A 71 4.794 -0.617 1.576 1.00 12.40 C ATOM 1116 O ILE A 71 5.048 -0.304 2.722 1.00 44.21 O ATOM 1117 CB ILE A 71 2.914 -2.338 1.376 1.00 75.03 C ATOM 1118 CG1 ILE A 71 2.590 -3.834 1.045 1.00 30.01 C ATOM 1119 CG2 ILE A 71 2.071 -1.370 0.497 1.00 23.15 C ATOM 1120 CD1 ILE A 71 1.141 -4.242 1.255 1.00 31.22 C ATOM 0 H ILE A 71 5.051 -2.729 3.163 1.00 42.11 H new ATOM 0 HA ILE A 71 4.757 -2.301 0.219 1.00 75.42 H new ATOM 0 HB ILE A 71 2.632 -2.137 2.410 1.00 75.03 H new ATOM 0 HG12 ILE A 71 2.858 -4.026 0.006 1.00 30.01 H new ATOM 0 HG13 ILE A 71 3.224 -4.472 1.661 1.00 30.01 H new ATOM 0 HG21 ILE A 71 1.012 -1.593 0.623 1.00 23.15 H new ATOM 0 HG22 ILE A 71 2.264 -0.341 0.801 1.00 23.15 H new ATOM 0 HG23 ILE A 71 2.346 -1.496 -0.550 1.00 23.15 H new ATOM 0 HD11 ILE A 71 1.019 -5.294 0.999 1.00 31.22 H new ATOM 0 HD12 ILE A 71 0.867 -4.088 2.299 1.00 31.22 H new ATOM 0 HD13 ILE A 71 0.496 -3.636 0.618 1.00 31.22 H new ATOM 1132 N THR A 72 4.813 0.254 0.572 1.00 71.33 N ATOM 1133 CA THR A 72 5.002 1.702 0.752 1.00 71.44 C ATOM 1134 C THR A 72 3.889 2.429 -0.003 1.00 53.21 C ATOM 1135 O THR A 72 3.677 2.173 -1.182 1.00 14.10 O ATOM 1136 CB THR A 72 6.408 2.168 0.240 1.00 12.10 C ATOM 1137 OG1 THR A 72 7.426 1.401 0.895 1.00 24.11 O ATOM 1138 CG2 THR A 72 6.661 3.667 0.496 1.00 61.12 C ATOM 0 H THR A 72 4.697 -0.022 -0.403 1.00 71.33 H new ATOM 0 HA THR A 72 4.956 1.940 1.815 1.00 71.44 H new ATOM 0 HB THR A 72 6.434 2.009 -0.838 1.00 12.10 H new ATOM 0 HG1 THR A 72 8.213 1.338 0.314 1.00 24.11 H new ATOM 0 HG21 THR A 72 7.648 3.938 0.123 1.00 61.12 H new ATOM 0 HG22 THR A 72 5.903 4.257 -0.020 1.00 61.12 H new ATOM 0 HG23 THR A 72 6.610 3.867 1.566 1.00 61.12 H new ATOM 1146 N VAL A 73 3.158 3.301 0.687 1.00 54.12 N ATOM 1147 CA VAL A 73 2.090 4.110 0.085 1.00 12.02 C ATOM 1148 C VAL A 73 2.565 5.570 0.067 1.00 1.22 C ATOM 1149 O VAL A 73 3.280 6.000 0.977 1.00 24.13 O ATOM 1150 CB VAL A 73 0.739 3.961 0.882 1.00 41.42 C ATOM 1151 CG1 VAL A 73 -0.413 4.733 0.200 1.00 64.15 C ATOM 1152 CG2 VAL A 73 0.360 2.470 1.072 1.00 30.40 C ATOM 0 H VAL A 73 3.287 3.470 1.685 1.00 54.12 H new ATOM 0 HA VAL A 73 1.889 3.767 -0.930 1.00 12.02 H new ATOM 0 HB VAL A 73 0.897 4.400 1.867 1.00 41.42 H new ATOM 0 HG11 VAL A 73 -1.328 4.607 0.778 1.00 64.15 H new ATOM 0 HG12 VAL A 73 -0.160 5.792 0.147 1.00 64.15 H new ATOM 0 HG13 VAL A 73 -0.564 4.346 -0.808 1.00 64.15 H new ATOM 0 HG21 VAL A 73 -0.577 2.400 1.625 1.00 30.40 H new ATOM 0 HG22 VAL A 73 0.241 1.998 0.097 1.00 30.40 H new ATOM 0 HG23 VAL A 73 1.148 1.962 1.628 1.00 30.40 H new ATOM 1162 N THR A 74 2.199 6.308 -0.984 1.00 43.22 N ATOM 1163 CA THR A 74 2.544 7.725 -1.148 1.00 73.15 C ATOM 1164 C THR A 74 1.252 8.557 -1.239 1.00 13.41 C ATOM 1165 O THR A 74 0.294 8.140 -1.886 1.00 63.35 O ATOM 1166 CB THR A 74 3.418 7.941 -2.431 1.00 75.05 C ATOM 1167 OG1 THR A 74 4.554 7.058 -2.402 1.00 53.55 O ATOM 1168 CG2 THR A 74 3.908 9.396 -2.578 1.00 52.44 C ATOM 0 H THR A 74 1.647 5.934 -1.756 1.00 43.22 H new ATOM 0 HA THR A 74 3.126 8.049 -0.285 1.00 73.15 H new ATOM 0 HB THR A 74 2.784 7.719 -3.289 1.00 75.05 H new ATOM 0 HG1 THR A 74 5.200 7.378 -1.738 1.00 53.55 H new ATOM 0 HG21 THR A 74 4.508 9.488 -3.483 1.00 52.44 H new ATOM 0 HG22 THR A 74 3.049 10.064 -2.642 1.00 52.44 H new ATOM 0 HG23 THR A 74 4.513 9.665 -1.712 1.00 52.44 H new ATOM 1176 N LYS A 75 1.238 9.712 -0.555 1.00 52.43 N ATOM 1177 CA LYS A 75 0.131 10.681 -0.586 1.00 23.14 C ATOM 1178 C LYS A 75 0.303 11.637 -1.793 1.00 32.21 C ATOM 1179 O LYS A 75 1.419 11.793 -2.320 1.00 22.20 O ATOM 1180 CB LYS A 75 0.071 11.474 0.757 1.00 22.31 C ATOM 1181 CG LYS A 75 1.287 12.395 1.000 1.00 34.34 C ATOM 1182 CD LYS A 75 1.317 13.067 2.395 1.00 75.15 C ATOM 1183 CE LYS A 75 1.500 12.083 3.557 1.00 41.52 C ATOM 1184 NZ LYS A 75 1.726 12.773 4.864 1.00 54.34 N ATOM 0 H LYS A 75 2.009 10.004 0.046 1.00 52.43 H new ATOM 0 HA LYS A 75 -0.812 10.147 -0.703 1.00 23.14 H new ATOM 0 HB2 LYS A 75 -0.837 12.077 0.770 1.00 22.31 H new ATOM 0 HB3 LYS A 75 -0.005 10.766 1.582 1.00 22.31 H new ATOM 0 HG2 LYS A 75 2.199 11.812 0.872 1.00 34.34 H new ATOM 0 HG3 LYS A 75 1.296 13.173 0.236 1.00 34.34 H new ATOM 0 HD2 LYS A 75 2.127 13.796 2.419 1.00 75.15 H new ATOM 0 HD3 LYS A 75 0.388 13.618 2.542 1.00 75.15 H new ATOM 0 HE2 LYS A 75 0.617 11.448 3.633 1.00 41.52 H new ATOM 0 HE3 LYS A 75 2.346 11.429 3.345 1.00 41.52 H new ATOM 0 HZ1 LYS A 75 1.759 12.068 5.628 1.00 54.34 H new ATOM 0 HZ2 LYS A 75 2.627 13.291 4.832 1.00 54.34 H new ATOM 0 HZ3 LYS A 75 0.949 13.441 5.043 1.00 54.34 H new ATOM 1198 N GLU A 76 -0.804 12.263 -2.228 1.00 43.30 N ATOM 1199 CA GLU A 76 -0.823 13.185 -3.392 1.00 3.41 C ATOM 1200 C GLU A 76 -0.018 14.472 -3.142 1.00 30.20 C ATOM 1201 O GLU A 76 0.547 15.052 -4.076 1.00 44.11 O ATOM 1202 CB GLU A 76 -2.283 13.512 -3.788 1.00 50.20 C ATOM 1203 CG GLU A 76 -3.135 12.275 -4.145 1.00 71.43 C ATOM 1204 CD GLU A 76 -4.563 12.630 -4.579 1.00 34.12 C ATOM 1205 OE1 GLU A 76 -4.754 13.007 -5.754 1.00 63.44 O ATOM 1206 OE2 GLU A 76 -5.499 12.541 -3.750 1.00 61.22 O ATOM 0 H GLU A 76 -1.716 12.148 -1.786 1.00 43.30 H new ATOM 0 HA GLU A 76 -0.334 12.673 -4.221 1.00 3.41 H new ATOM 0 HB2 GLU A 76 -2.761 14.043 -2.964 1.00 50.20 H new ATOM 0 HB3 GLU A 76 -2.273 14.190 -4.641 1.00 50.20 H new ATOM 0 HG2 GLU A 76 -2.645 11.723 -4.947 1.00 71.43 H new ATOM 0 HG3 GLU A 76 -3.179 11.611 -3.282 1.00 71.43 H new ATOM 1213 N ASN A 77 0.024 14.899 -1.880 1.00 23.05 N ATOM 1214 CA ASN A 77 0.784 16.082 -1.443 1.00 23.01 C ATOM 1215 C ASN A 77 0.872 16.075 0.085 1.00 15.44 C ATOM 1216 O ASN A 77 0.009 15.485 0.746 1.00 50.41 O ATOM 1217 CB ASN A 77 0.153 17.410 -1.975 1.00 24.21 C ATOM 1218 CG ASN A 77 -1.260 17.751 -1.454 1.00 72.24 C ATOM 1219 OD1 ASN A 77 -2.118 16.766 -1.241 1.00 52.44 O flip ATOM 1220 ND2 ASN A 77 -1.591 18.923 -1.293 1.00 41.34 N flip ATOM 0 H ASN A 77 -0.472 14.432 -1.121 1.00 23.05 H new ATOM 0 HA ASN A 77 1.788 16.034 -1.864 1.00 23.01 H new ATOM 0 HB2 ASN A 77 0.820 18.233 -1.719 1.00 24.21 H new ATOM 0 HB3 ASN A 77 0.114 17.359 -3.063 1.00 24.21 H new ATOM 0 HD21 ASN A 77 -0.918 19.671 -1.461 1.00 41.34 H new ATOM 0 HD22 ASN A 77 -2.539 19.148 -0.991 1.00 41.34 H new ATOM 1227 N GLU A 78 1.905 16.755 0.639 1.00 21.33 N ATOM 1228 CA GLU A 78 2.218 16.733 2.101 1.00 33.33 C ATOM 1229 C GLU A 78 1.134 17.425 2.970 1.00 21.23 C ATOM 1230 O GLU A 78 1.202 17.386 4.203 1.00 13.01 O ATOM 1231 CB GLU A 78 3.654 17.306 2.357 1.00 51.55 C ATOM 1232 CG GLU A 78 3.932 18.756 1.880 1.00 34.51 C ATOM 1233 CD GLU A 78 3.445 19.858 2.848 1.00 40.34 C ATOM 1234 OE1 GLU A 78 4.168 20.183 3.810 1.00 35.11 O ATOM 1235 OE2 GLU A 78 2.335 20.403 2.650 1.00 73.15 O ATOM 0 H GLU A 78 2.545 17.333 0.094 1.00 21.33 H new ATOM 0 HA GLU A 78 2.207 15.691 2.422 1.00 33.33 H new ATOM 0 HB2 GLU A 78 3.851 17.259 3.428 1.00 51.55 H new ATOM 0 HB3 GLU A 78 4.373 16.646 1.871 1.00 51.55 H new ATOM 0 HG2 GLU A 78 5.005 18.874 1.726 1.00 34.51 H new ATOM 0 HG3 GLU A 78 3.453 18.904 0.912 1.00 34.51 H new ATOM 1242 N GLU A 79 0.150 18.051 2.298 1.00 41.32 N ATOM 1243 CA GLU A 79 -1.061 18.626 2.923 1.00 52.14 C ATOM 1244 C GLU A 79 -1.944 17.511 3.534 1.00 62.54 C ATOM 1245 O GLU A 79 -2.631 17.728 4.538 1.00 63.44 O ATOM 1246 CB GLU A 79 -1.834 19.422 1.845 1.00 12.33 C ATOM 1247 CG GLU A 79 -3.156 20.077 2.297 1.00 43.11 C ATOM 1248 CD GLU A 79 -3.907 20.735 1.124 1.00 74.52 C ATOM 1249 OE1 GLU A 79 -4.639 20.033 0.402 1.00 43.25 O ATOM 1250 OE2 GLU A 79 -3.742 21.950 0.898 1.00 25.12 O ATOM 0 H GLU A 79 0.173 18.175 1.286 1.00 41.32 H new ATOM 0 HA GLU A 79 -0.779 19.294 3.737 1.00 52.14 H new ATOM 0 HB2 GLU A 79 -1.179 20.204 1.461 1.00 12.33 H new ATOM 0 HB3 GLU A 79 -2.051 18.751 1.014 1.00 12.33 H new ATOM 0 HG2 GLU A 79 -3.794 19.323 2.759 1.00 43.11 H new ATOM 0 HG3 GLU A 79 -2.946 20.827 3.059 1.00 43.11 H new ATOM 1257 N LEU A 80 -1.900 16.322 2.907 1.00 55.20 N ATOM 1258 CA LEU A 80 -2.582 15.109 3.391 1.00 60.44 C ATOM 1259 C LEU A 80 -1.831 14.526 4.594 1.00 15.30 C ATOM 1260 O LEU A 80 -0.600 14.421 4.577 1.00 51.32 O ATOM 1261 CB LEU A 80 -2.653 14.065 2.258 1.00 31.52 C ATOM 1262 CG LEU A 80 -3.514 14.471 1.023 1.00 3.32 C ATOM 1263 CD1 LEU A 80 -3.141 13.626 -0.192 1.00 11.10 C ATOM 1264 CD2 LEU A 80 -5.025 14.360 1.328 1.00 52.15 C ATOM 0 H LEU A 80 -1.384 16.175 2.040 1.00 55.20 H new ATOM 0 HA LEU A 80 -3.594 15.370 3.702 1.00 60.44 H new ATOM 0 HB2 LEU A 80 -1.639 13.854 1.918 1.00 31.52 H new ATOM 0 HB3 LEU A 80 -3.052 13.137 2.667 1.00 31.52 H new ATOM 0 HG LEU A 80 -3.300 15.515 0.795 1.00 3.32 H new ATOM 0 HD11 LEU A 80 -3.752 13.924 -1.044 1.00 11.10 H new ATOM 0 HD12 LEU A 80 -2.088 13.777 -0.431 1.00 11.10 H new ATOM 0 HD13 LEU A 80 -3.316 12.573 0.030 1.00 11.10 H new ATOM 0 HD21 LEU A 80 -5.596 14.650 0.446 1.00 52.15 H new ATOM 0 HD22 LEU A 80 -5.268 13.332 1.595 1.00 52.15 H new ATOM 0 HD23 LEU A 80 -5.278 15.020 2.158 1.00 52.15 H new ATOM 1276 N ASP A 81 -2.577 14.194 5.641 1.00 3.14 N ATOM 1277 CA ASP A 81 -2.035 13.561 6.860 1.00 1.02 C ATOM 1278 C ASP A 81 -2.199 12.027 6.825 1.00 4.53 C ATOM 1279 O ASP A 81 -3.276 11.528 6.517 1.00 34.05 O ATOM 1280 CB ASP A 81 -2.732 14.161 8.104 1.00 25.50 C ATOM 1281 CG ASP A 81 -2.294 13.498 9.418 1.00 1.35 C ATOM 1282 OD1 ASP A 81 -1.149 13.733 9.865 1.00 55.53 O ATOM 1283 OD2 ASP A 81 -3.075 12.721 9.987 1.00 40.33 O ATOM 0 H ASP A 81 -3.584 14.353 5.678 1.00 3.14 H new ATOM 0 HA ASP A 81 -0.966 13.766 6.911 1.00 1.02 H new ATOM 0 HB2 ASP A 81 -2.518 15.229 8.154 1.00 25.50 H new ATOM 0 HB3 ASP A 81 -3.811 14.057 7.994 1.00 25.50 H new ATOM 1288 N TRP A 82 -1.116 11.288 7.188 1.00 64.25 N ATOM 1289 CA TRP A 82 -1.089 9.807 7.168 1.00 52.40 C ATOM 1290 C TRP A 82 -2.049 9.160 8.179 1.00 51.02 C ATOM 1291 O TRP A 82 -2.578 8.084 7.897 1.00 4.13 O ATOM 1292 CB TRP A 82 0.359 9.243 7.380 1.00 54.13 C ATOM 1293 CG TRP A 82 1.184 9.132 6.115 1.00 0.34 C ATOM 1294 CD1 TRP A 82 2.474 9.549 5.923 1.00 53.03 C ATOM 1295 CD2 TRP A 82 0.763 8.539 4.865 1.00 30.41 C ATOM 1296 NE1 TRP A 82 2.872 9.270 4.639 1.00 3.30 N ATOM 1297 CE2 TRP A 82 1.841 8.650 3.974 1.00 64.43 C ATOM 1298 CE3 TRP A 82 -0.427 7.931 4.412 1.00 0.11 C ATOM 1299 CZ2 TRP A 82 1.769 8.183 2.671 1.00 70.25 C ATOM 1300 CZ3 TRP A 82 -0.489 7.468 3.119 1.00 54.25 C ATOM 1301 CH2 TRP A 82 0.602 7.598 2.262 1.00 72.44 C ATOM 0 H TRP A 82 -0.240 11.706 7.502 1.00 64.25 H new ATOM 0 HA TRP A 82 -1.436 9.536 6.171 1.00 52.40 H new ATOM 0 HB2 TRP A 82 0.885 9.885 8.086 1.00 54.13 H new ATOM 0 HB3 TRP A 82 0.287 8.257 7.839 1.00 54.13 H new ATOM 0 HD1 TRP A 82 3.088 10.027 6.672 1.00 53.03 H new ATOM 0 HE1 TRP A 82 3.786 9.488 4.242 1.00 3.30 H new ATOM 0 HE3 TRP A 82 -1.277 7.831 5.071 1.00 0.11 H new ATOM 0 HZ2 TRP A 82 2.609 8.278 1.999 1.00 70.25 H new ATOM 0 HZ3 TRP A 82 -1.394 6.998 2.763 1.00 54.25 H new ATOM 0 HH2 TRP A 82 0.524 7.228 1.250 1.00 72.44 H new ATOM 1312 N ASN A 83 -2.266 9.802 9.347 1.00 31.14 N ATOM 1313 CA ASN A 83 -3.120 9.234 10.427 1.00 4.14 C ATOM 1314 C ASN A 83 -4.581 9.102 9.956 1.00 14.12 C ATOM 1315 O ASN A 83 -5.337 8.280 10.483 1.00 55.10 O ATOM 1316 CB ASN A 83 -3.044 10.079 11.729 1.00 60.23 C ATOM 1317 CG ASN A 83 -1.618 10.234 12.273 1.00 23.10 C ATOM 1318 OD1 ASN A 83 -0.777 9.352 12.108 1.00 44.22 O ATOM 1319 ND2 ASN A 83 -1.339 11.357 12.915 1.00 52.54 N ATOM 0 H ASN A 83 -1.865 10.713 9.571 1.00 31.14 H new ATOM 0 HA ASN A 83 -2.734 8.240 10.655 1.00 4.14 H new ATOM 0 HB2 ASN A 83 -3.461 11.068 11.536 1.00 60.23 H new ATOM 0 HB3 ASN A 83 -3.667 9.613 12.492 1.00 60.23 H new ATOM 0 HD21 ASN A 83 -0.403 11.511 13.290 1.00 52.54 H new ATOM 0 HD22 ASN A 83 -2.060 12.069 13.035 1.00 52.54 H new ATOM 1326 N LEU A 84 -4.957 9.905 8.938 1.00 44.20 N ATOM 1327 CA LEU A 84 -6.290 9.849 8.319 1.00 73.31 C ATOM 1328 C LEU A 84 -6.435 8.562 7.480 1.00 2.32 C ATOM 1329 O LEU A 84 -7.436 7.853 7.599 1.00 71.33 O ATOM 1330 CB LEU A 84 -6.528 11.105 7.430 1.00 60.11 C ATOM 1331 CG LEU A 84 -6.508 12.484 8.163 1.00 44.21 C ATOM 1332 CD1 LEU A 84 -6.711 13.644 7.167 1.00 61.30 C ATOM 1333 CD2 LEU A 84 -7.555 12.539 9.300 1.00 33.04 C ATOM 0 H LEU A 84 -4.343 10.608 8.526 1.00 44.20 H new ATOM 0 HA LEU A 84 -7.041 9.837 9.109 1.00 73.31 H new ATOM 0 HB2 LEU A 84 -5.767 11.121 6.649 1.00 60.11 H new ATOM 0 HB3 LEU A 84 -7.492 10.995 6.933 1.00 60.11 H new ATOM 0 HG LEU A 84 -5.524 12.598 8.618 1.00 44.21 H new ATOM 0 HD11 LEU A 84 -6.693 14.592 7.704 1.00 61.30 H new ATOM 0 HD12 LEU A 84 -5.912 13.631 6.426 1.00 61.30 H new ATOM 0 HD13 LEU A 84 -7.672 13.529 6.666 1.00 61.30 H new ATOM 0 HD21 LEU A 84 -7.512 13.513 9.787 1.00 33.04 H new ATOM 0 HD22 LEU A 84 -8.551 12.384 8.885 1.00 33.04 H new ATOM 0 HD23 LEU A 84 -7.341 11.758 10.030 1.00 33.04 H new ATOM 1345 N LEU A 85 -5.416 8.275 6.645 1.00 22.11 N ATOM 1346 CA LEU A 85 -5.423 7.126 5.714 1.00 60.41 C ATOM 1347 C LEU A 85 -5.103 5.786 6.416 1.00 0.23 C ATOM 1348 O LEU A 85 -5.494 4.739 5.901 1.00 43.25 O ATOM 1349 CB LEU A 85 -4.421 7.350 4.540 1.00 32.03 C ATOM 1350 CG LEU A 85 -4.752 8.516 3.535 1.00 25.20 C ATOM 1351 CD1 LEU A 85 -4.378 9.906 4.083 1.00 74.25 C ATOM 1352 CD2 LEU A 85 -4.100 8.273 2.153 1.00 20.14 C ATOM 0 H LEU A 85 -4.564 8.833 6.596 1.00 22.11 H new ATOM 0 HA LEU A 85 -6.438 7.062 5.321 1.00 60.41 H new ATOM 0 HB2 LEU A 85 -3.436 7.539 4.966 1.00 32.03 H new ATOM 0 HB3 LEU A 85 -4.350 6.422 3.972 1.00 32.03 H new ATOM 0 HG LEU A 85 -5.835 8.510 3.410 1.00 25.20 H new ATOM 0 HD11 LEU A 85 -4.630 10.668 3.345 1.00 74.25 H new ATOM 0 HD12 LEU A 85 -4.931 10.095 5.003 1.00 74.25 H new ATOM 0 HD13 LEU A 85 -3.308 9.940 4.289 1.00 74.25 H new ATOM 0 HD21 LEU A 85 -4.349 9.097 1.484 1.00 20.14 H new ATOM 0 HD22 LEU A 85 -3.018 8.212 2.267 1.00 20.14 H new ATOM 0 HD23 LEU A 85 -4.474 7.339 1.734 1.00 20.14 H new ATOM 1364 N LYS A 86 -4.342 5.812 7.545 1.00 11.25 N ATOM 1365 CA LYS A 86 -3.927 4.577 8.269 1.00 15.31 C ATOM 1366 C LYS A 86 -5.091 3.570 8.510 1.00 21.03 C ATOM 1367 O LYS A 86 -4.946 2.421 8.108 1.00 64.13 O ATOM 1368 CB LYS A 86 -3.209 4.875 9.618 1.00 44.43 C ATOM 1369 CG LYS A 86 -1.757 5.387 9.515 1.00 43.43 C ATOM 1370 CD LYS A 86 -1.092 5.457 10.914 1.00 42.12 C ATOM 1371 CE LYS A 86 0.343 5.989 10.885 1.00 4.22 C ATOM 1372 NZ LYS A 86 0.391 7.392 10.411 1.00 24.10 N ATOM 0 H LYS A 86 -4.004 6.674 7.973 1.00 11.25 H new ATOM 0 HA LYS A 86 -3.214 4.105 7.593 1.00 15.31 H new ATOM 0 HB2 LYS A 86 -3.796 5.614 10.163 1.00 44.43 H new ATOM 0 HB3 LYS A 86 -3.210 3.964 10.216 1.00 44.43 H new ATOM 0 HG2 LYS A 86 -1.180 4.727 8.867 1.00 43.43 H new ATOM 0 HG3 LYS A 86 -1.748 6.375 9.054 1.00 43.43 H new ATOM 0 HD2 LYS A 86 -1.694 6.095 11.562 1.00 42.12 H new ATOM 0 HD3 LYS A 86 -1.092 4.461 11.357 1.00 42.12 H new ATOM 0 HE2 LYS A 86 0.776 5.926 11.883 1.00 4.22 H new ATOM 0 HE3 LYS A 86 0.952 5.362 10.233 1.00 4.22 H new ATOM 0 HZ1 LYS A 86 1.372 7.646 10.177 1.00 24.10 H new ATOM 0 HZ2 LYS A 86 -0.204 7.493 9.564 1.00 24.10 H new ATOM 0 HZ3 LYS A 86 0.039 8.023 11.159 1.00 24.10 H new ATOM 1386 N PRO A 87 -6.254 3.948 9.178 1.00 71.32 N ATOM 1387 CA PRO A 87 -7.337 2.964 9.491 1.00 44.33 C ATOM 1388 C PRO A 87 -7.891 2.291 8.217 1.00 22.33 C ATOM 1389 O PRO A 87 -8.305 1.131 8.245 1.00 30.31 O ATOM 1390 CB PRO A 87 -8.423 3.824 10.203 1.00 33.33 C ATOM 1391 CG PRO A 87 -7.689 5.034 10.704 1.00 42.34 C ATOM 1392 CD PRO A 87 -6.623 5.306 9.670 1.00 44.43 C ATOM 0 HA PRO A 87 -6.982 2.138 10.107 1.00 44.33 H new ATOM 0 HB2 PRO A 87 -9.221 4.103 9.514 1.00 33.33 H new ATOM 0 HB3 PRO A 87 -8.887 3.275 11.023 1.00 33.33 H new ATOM 0 HG2 PRO A 87 -8.361 5.886 10.811 1.00 42.34 H new ATOM 0 HG3 PRO A 87 -7.249 4.850 11.684 1.00 42.34 H new ATOM 0 HD2 PRO A 87 -6.999 5.936 8.864 1.00 44.43 H new ATOM 0 HD3 PRO A 87 -5.766 5.821 10.104 1.00 44.43 H new ATOM 1400 N ASP A 88 -7.846 3.049 7.108 1.00 72.10 N ATOM 1401 CA ASP A 88 -8.290 2.603 5.777 1.00 62.42 C ATOM 1402 C ASP A 88 -7.310 1.569 5.208 1.00 31.34 C ATOM 1403 O ASP A 88 -7.730 0.524 4.728 1.00 12.50 O ATOM 1404 CB ASP A 88 -8.388 3.825 4.831 1.00 0.41 C ATOM 1405 CG ASP A 88 -9.328 4.909 5.368 1.00 62.34 C ATOM 1406 OD1 ASP A 88 -10.563 4.735 5.284 1.00 71.43 O ATOM 1407 OD2 ASP A 88 -8.841 5.926 5.898 1.00 42.12 O ATOM 0 H ASP A 88 -7.494 4.006 7.112 1.00 72.10 H new ATOM 0 HA ASP A 88 -9.271 2.136 5.864 1.00 62.42 H new ATOM 0 HB2 ASP A 88 -7.394 4.249 4.687 1.00 0.41 H new ATOM 0 HB3 ASP A 88 -8.739 3.496 3.853 1.00 0.41 H new ATOM 1412 N ILE A 89 -5.997 1.878 5.293 1.00 24.34 N ATOM 1413 CA ILE A 89 -4.917 1.031 4.741 1.00 2.20 C ATOM 1414 C ILE A 89 -4.809 -0.297 5.533 1.00 11.14 C ATOM 1415 O ILE A 89 -4.651 -1.363 4.933 1.00 24.43 O ATOM 1416 CB ILE A 89 -3.537 1.813 4.721 1.00 0.54 C ATOM 1417 CG1 ILE A 89 -3.649 3.072 3.789 1.00 42.31 C ATOM 1418 CG2 ILE A 89 -2.356 0.902 4.285 1.00 21.32 C ATOM 1419 CD1 ILE A 89 -2.427 3.976 3.742 1.00 74.04 C ATOM 0 H ILE A 89 -5.656 2.725 5.748 1.00 24.34 H new ATOM 0 HA ILE A 89 -5.165 0.784 3.709 1.00 2.20 H new ATOM 0 HB ILE A 89 -3.323 2.141 5.738 1.00 0.54 H new ATOM 0 HG12 ILE A 89 -3.864 2.732 2.776 1.00 42.31 H new ATOM 0 HG13 ILE A 89 -4.503 3.666 4.114 1.00 42.31 H new ATOM 0 HG21 ILE A 89 -1.432 1.479 4.286 1.00 21.32 H new ATOM 0 HG22 ILE A 89 -2.264 0.068 4.981 1.00 21.32 H new ATOM 0 HG23 ILE A 89 -2.543 0.518 3.282 1.00 21.32 H new ATOM 0 HD11 ILE A 89 -2.618 4.811 3.068 1.00 74.04 H new ATOM 0 HD12 ILE A 89 -2.218 4.357 4.742 1.00 74.04 H new ATOM 0 HD13 ILE A 89 -1.568 3.409 3.383 1.00 74.04 H new ATOM 1431 N TYR A 90 -4.935 -0.209 6.874 1.00 51.23 N ATOM 1432 CA TYR A 90 -4.992 -1.379 7.782 1.00 50.12 C ATOM 1433 C TYR A 90 -6.174 -2.293 7.414 1.00 22.52 C ATOM 1434 O TYR A 90 -5.999 -3.505 7.242 1.00 64.24 O ATOM 1435 CB TYR A 90 -5.103 -0.921 9.275 1.00 15.42 C ATOM 1436 CG TYR A 90 -3.767 -0.522 9.936 1.00 44.12 C ATOM 1437 CD1 TYR A 90 -2.962 0.497 9.415 1.00 21.42 C ATOM 1438 CD2 TYR A 90 -3.314 -1.175 11.084 1.00 51.45 C ATOM 1439 CE1 TYR A 90 -1.768 0.847 10.016 1.00 24.13 C ATOM 1440 CE2 TYR A 90 -2.124 -0.826 11.684 1.00 42.33 C ATOM 1441 CZ TYR A 90 -1.353 0.183 11.146 1.00 41.21 C ATOM 1442 OH TYR A 90 -0.158 0.521 11.743 1.00 14.21 O ATOM 0 H TYR A 90 -5.001 0.684 7.363 1.00 51.23 H new ATOM 0 HA TYR A 90 -4.067 -1.943 7.664 1.00 50.12 H new ATOM 0 HB2 TYR A 90 -5.785 -0.073 9.329 1.00 15.42 H new ATOM 0 HB3 TYR A 90 -5.551 -1.728 9.855 1.00 15.42 H new ATOM 0 HD1 TYR A 90 -3.280 1.020 8.525 1.00 21.42 H new ATOM 0 HD2 TYR A 90 -3.908 -1.970 11.510 1.00 51.45 H new ATOM 0 HE1 TYR A 90 -1.163 1.639 9.600 1.00 24.13 H new ATOM 0 HE2 TYR A 90 -1.795 -1.342 12.574 1.00 42.33 H new ATOM 0 HH TYR A 90 0.374 -0.289 11.892 1.00 14.21 H new ATOM 1452 N ALA A 91 -7.365 -1.678 7.276 1.00 1.32 N ATOM 1453 CA ALA A 91 -8.613 -2.387 6.934 1.00 43.45 C ATOM 1454 C ALA A 91 -8.504 -3.097 5.568 1.00 3.53 C ATOM 1455 O ALA A 91 -8.922 -4.244 5.432 1.00 21.23 O ATOM 1456 CB ALA A 91 -9.791 -1.403 6.940 1.00 43.34 C ATOM 0 H ALA A 91 -7.488 -0.673 7.399 1.00 1.32 H new ATOM 0 HA ALA A 91 -8.786 -3.155 7.688 1.00 43.45 H new ATOM 0 HB1 ALA A 91 -10.709 -1.933 6.687 1.00 43.34 H new ATOM 0 HB2 ALA A 91 -9.890 -0.960 7.931 1.00 43.34 H new ATOM 0 HB3 ALA A 91 -9.612 -0.617 6.207 1.00 43.34 H new ATOM 1462 N THR A 92 -7.920 -2.388 4.582 1.00 32.02 N ATOM 1463 CA THR A 92 -7.723 -2.884 3.208 1.00 13.12 C ATOM 1464 C THR A 92 -6.813 -4.134 3.180 1.00 4.44 C ATOM 1465 O THR A 92 -7.193 -5.163 2.612 1.00 25.52 O ATOM 1466 CB THR A 92 -7.135 -1.744 2.301 1.00 52.10 C ATOM 1467 OG1 THR A 92 -8.109 -0.695 2.151 1.00 32.13 O ATOM 1468 CG2 THR A 92 -6.710 -2.238 0.913 1.00 54.41 C ATOM 0 H THR A 92 -7.567 -1.441 4.721 1.00 32.02 H new ATOM 0 HA THR A 92 -8.695 -3.181 2.813 1.00 13.12 H new ATOM 0 HB THR A 92 -6.240 -1.375 2.801 1.00 52.10 H new ATOM 0 HG1 THR A 92 -8.129 -0.149 2.964 1.00 32.13 H new ATOM 0 HG21 THR A 92 -6.313 -1.403 0.336 1.00 54.41 H new ATOM 0 HG22 THR A 92 -5.942 -3.004 1.019 1.00 54.41 H new ATOM 0 HG23 THR A 92 -7.573 -2.658 0.396 1.00 54.41 H new ATOM 1476 N ILE A 93 -5.632 -4.026 3.827 1.00 64.20 N ATOM 1477 CA ILE A 93 -4.620 -5.102 3.861 1.00 0.03 C ATOM 1478 C ILE A 93 -5.178 -6.353 4.585 1.00 31.34 C ATOM 1479 O ILE A 93 -5.122 -7.459 4.034 1.00 33.12 O ATOM 1480 CB ILE A 93 -3.277 -4.604 4.536 1.00 54.52 C ATOM 1481 CG1 ILE A 93 -2.621 -3.447 3.706 1.00 43.33 C ATOM 1482 CG2 ILE A 93 -2.269 -5.758 4.735 1.00 25.21 C ATOM 1483 CD1 ILE A 93 -1.367 -2.838 4.334 1.00 74.52 C ATOM 0 H ILE A 93 -5.354 -3.189 4.340 1.00 64.20 H new ATOM 0 HA ILE A 93 -4.387 -5.380 2.833 1.00 0.03 H new ATOM 0 HB ILE A 93 -3.542 -4.219 5.521 1.00 54.52 H new ATOM 0 HG12 ILE A 93 -2.367 -3.828 2.717 1.00 43.33 H new ATOM 0 HG13 ILE A 93 -3.359 -2.658 3.564 1.00 43.33 H new ATOM 0 HG21 ILE A 93 -1.362 -5.373 5.201 1.00 25.21 H new ATOM 0 HG22 ILE A 93 -2.711 -6.520 5.377 1.00 25.21 H new ATOM 0 HG23 ILE A 93 -2.022 -6.196 3.768 1.00 25.21 H new ATOM 0 HD11 ILE A 93 -0.985 -2.047 3.689 1.00 74.52 H new ATOM 0 HD12 ILE A 93 -1.614 -2.422 5.311 1.00 74.52 H new ATOM 0 HD13 ILE A 93 -0.607 -3.610 4.451 1.00 74.52 H new ATOM 1495 N MET A 94 -5.753 -6.159 5.797 1.00 4.31 N ATOM 1496 CA MET A 94 -6.293 -7.275 6.612 1.00 74.41 C ATOM 1497 C MET A 94 -7.410 -8.023 5.863 1.00 31.22 C ATOM 1498 O MET A 94 -7.370 -9.248 5.762 1.00 3.23 O ATOM 1499 CB MET A 94 -6.810 -6.786 8.000 1.00 42.33 C ATOM 1500 CG MET A 94 -5.712 -6.320 8.966 1.00 1.25 C ATOM 1501 SD MET A 94 -6.347 -5.870 10.602 1.00 23.01 S ATOM 1502 CE MET A 94 -7.460 -4.512 10.216 1.00 34.41 C ATOM 0 H MET A 94 -5.855 -5.242 6.231 1.00 4.31 H new ATOM 0 HA MET A 94 -5.467 -7.965 6.786 1.00 74.41 H new ATOM 0 HB2 MET A 94 -7.509 -5.965 7.843 1.00 42.33 H new ATOM 0 HB3 MET A 94 -7.369 -7.595 8.470 1.00 42.33 H new ATOM 0 HG2 MET A 94 -4.973 -7.113 9.076 1.00 1.25 H new ATOM 0 HG3 MET A 94 -5.197 -5.462 8.534 1.00 1.25 H new ATOM 0 HE1 MET A 94 -7.807 -4.051 11.141 1.00 34.41 H new ATOM 0 HE2 MET A 94 -6.934 -3.770 9.616 1.00 34.41 H new ATOM 0 HE3 MET A 94 -8.315 -4.890 9.656 1.00 34.41 H new ATOM 1512 N ASP A 95 -8.385 -7.262 5.325 1.00 3.40 N ATOM 1513 CA ASP A 95 -9.561 -7.814 4.610 1.00 1.22 C ATOM 1514 C ASP A 95 -9.145 -8.598 3.348 1.00 62.45 C ATOM 1515 O ASP A 95 -9.693 -9.672 3.076 1.00 1.41 O ATOM 1516 CB ASP A 95 -10.542 -6.667 4.243 1.00 2.12 C ATOM 1517 CG ASP A 95 -11.848 -7.154 3.583 1.00 35.44 C ATOM 1518 OD1 ASP A 95 -12.698 -7.731 4.291 1.00 32.40 O ATOM 1519 OD2 ASP A 95 -12.039 -6.950 2.367 1.00 11.55 O ATOM 0 H ASP A 95 -8.382 -6.243 5.373 1.00 3.40 H new ATOM 0 HA ASP A 95 -10.063 -8.516 5.276 1.00 1.22 H new ATOM 0 HB2 ASP A 95 -10.788 -6.109 5.146 1.00 2.12 H new ATOM 0 HB3 ASP A 95 -10.040 -5.974 3.567 1.00 2.12 H new ATOM 1524 N PHE A 96 -8.157 -8.053 2.615 1.00 3.42 N ATOM 1525 CA PHE A 96 -7.608 -8.650 1.376 1.00 30.54 C ATOM 1526 C PHE A 96 -7.030 -10.060 1.646 1.00 72.13 C ATOM 1527 O PHE A 96 -7.415 -11.041 0.992 1.00 11.42 O ATOM 1528 CB PHE A 96 -6.511 -7.701 0.807 1.00 51.23 C ATOM 1529 CG PHE A 96 -5.753 -8.223 -0.417 1.00 44.21 C ATOM 1530 CD1 PHE A 96 -6.277 -8.073 -1.697 1.00 51.42 C ATOM 1531 CD2 PHE A 96 -4.507 -8.848 -0.285 1.00 22.51 C ATOM 1532 CE1 PHE A 96 -5.591 -8.541 -2.799 1.00 62.21 C ATOM 1533 CE2 PHE A 96 -3.827 -9.311 -1.387 1.00 30.11 C ATOM 1534 CZ PHE A 96 -4.368 -9.150 -2.646 1.00 15.12 C ATOM 0 H PHE A 96 -7.709 -7.172 2.868 1.00 3.42 H new ATOM 0 HA PHE A 96 -8.408 -8.764 0.645 1.00 30.54 H new ATOM 0 HB2 PHE A 96 -6.978 -6.752 0.545 1.00 51.23 H new ATOM 0 HB3 PHE A 96 -5.790 -7.494 1.597 1.00 51.23 H new ATOM 0 HD1 PHE A 96 -7.231 -7.585 -1.830 1.00 51.42 H new ATOM 0 HD2 PHE A 96 -4.074 -8.968 0.697 1.00 22.51 H new ATOM 0 HE1 PHE A 96 -6.016 -8.428 -3.785 1.00 62.21 H new ATOM 0 HE2 PHE A 96 -2.871 -9.800 -1.267 1.00 30.11 H new ATOM 0 HZ PHE A 96 -3.830 -9.503 -3.513 1.00 15.12 H new ATOM 1544 N PHE A 97 -6.106 -10.129 2.626 1.00 54.12 N ATOM 1545 CA PHE A 97 -5.413 -11.380 3.000 1.00 53.45 C ATOM 1546 C PHE A 97 -6.357 -12.354 3.738 1.00 31.33 C ATOM 1547 O PHE A 97 -6.164 -13.575 3.671 1.00 1.22 O ATOM 1548 CB PHE A 97 -4.153 -11.078 3.847 1.00 11.04 C ATOM 1549 CG PHE A 97 -2.972 -10.495 3.056 1.00 22.05 C ATOM 1550 CD1 PHE A 97 -2.092 -11.337 2.381 1.00 63.14 C ATOM 1551 CD2 PHE A 97 -2.721 -9.125 3.014 1.00 0.33 C ATOM 1552 CE1 PHE A 97 -1.010 -10.828 1.695 1.00 41.11 C ATOM 1553 CE2 PHE A 97 -1.642 -8.615 2.323 1.00 70.13 C ATOM 1554 CZ PHE A 97 -0.784 -9.466 1.667 1.00 2.03 C ATOM 0 H PHE A 97 -5.819 -9.322 3.179 1.00 54.12 H new ATOM 0 HA PHE A 97 -5.096 -11.870 2.079 1.00 53.45 H new ATOM 0 HB2 PHE A 97 -4.423 -10.379 4.638 1.00 11.04 H new ATOM 0 HB3 PHE A 97 -3.829 -11.999 4.332 1.00 11.04 H new ATOM 0 HD1 PHE A 97 -2.260 -12.404 2.395 1.00 63.14 H new ATOM 0 HD2 PHE A 97 -3.385 -8.449 3.533 1.00 0.33 H new ATOM 0 HE1 PHE A 97 -0.337 -11.496 1.178 1.00 41.11 H new ATOM 0 HE2 PHE A 97 -1.471 -7.549 2.297 1.00 70.13 H new ATOM 0 HZ PHE A 97 0.065 -9.070 1.131 1.00 2.03 H new ATOM 1564 N ALA A 98 -7.387 -11.808 4.418 1.00 65.25 N ATOM 1565 CA ALA A 98 -8.427 -12.618 5.085 1.00 21.13 C ATOM 1566 C ALA A 98 -9.310 -13.316 4.037 1.00 1.23 C ATOM 1567 O ALA A 98 -9.746 -14.455 4.240 1.00 43.51 O ATOM 1568 CB ALA A 98 -9.282 -11.755 6.029 1.00 2.04 C ATOM 0 H ALA A 98 -7.520 -10.802 4.520 1.00 65.25 H new ATOM 0 HA ALA A 98 -7.932 -13.379 5.688 1.00 21.13 H new ATOM 0 HB1 ALA A 98 -10.039 -12.378 6.506 1.00 2.04 H new ATOM 0 HB2 ALA A 98 -8.644 -11.310 6.793 1.00 2.04 H new ATOM 0 HB3 ALA A 98 -9.769 -10.965 5.458 1.00 2.04 H new ATOM 1574 N SER A 99 -9.537 -12.625 2.900 1.00 20.24 N ATOM 1575 CA SER A 99 -10.304 -13.174 1.766 1.00 3.10 C ATOM 1576 C SER A 99 -9.437 -14.144 0.941 1.00 33.50 C ATOM 1577 O SER A 99 -9.969 -14.964 0.185 1.00 55.21 O ATOM 1578 CB SER A 99 -10.818 -12.027 0.871 1.00 33.52 C ATOM 1579 OG SER A 99 -11.602 -11.112 1.615 1.00 41.52 O ATOM 0 H SER A 99 -9.195 -11.677 2.744 1.00 20.24 H new ATOM 0 HA SER A 99 -11.157 -13.727 2.160 1.00 3.10 H new ATOM 0 HB2 SER A 99 -9.973 -11.505 0.422 1.00 33.52 H new ATOM 0 HB3 SER A 99 -11.410 -12.437 0.053 1.00 33.52 H new ATOM 0 HG SER A 99 -11.017 -10.554 2.169 1.00 41.52 H new ATOM 1585 N GLY A 100 -8.103 -14.025 1.094 1.00 2.41 N ATOM 1586 CA GLY A 100 -7.148 -14.859 0.372 1.00 62.22 C ATOM 1587 C GLY A 100 -7.104 -14.539 -1.112 1.00 24.10 C ATOM 1588 O GLY A 100 -7.029 -15.446 -1.948 1.00 70.11 O ATOM 0 H GLY A 100 -7.668 -13.348 1.721 1.00 2.41 H new ATOM 0 HA2 GLY A 100 -6.155 -14.722 0.800 1.00 62.22 H new ATOM 0 HA3 GLY A 100 -7.412 -15.908 0.507 1.00 62.22 H new ATOM 1592 N LEU A 101 -7.169 -13.234 -1.436 1.00 42.30 N ATOM 1593 CA LEU A 101 -7.100 -12.743 -2.823 1.00 33.04 C ATOM 1594 C LEU A 101 -5.624 -12.734 -3.296 1.00 32.42 C ATOM 1595 O LEU A 101 -4.739 -12.418 -2.490 1.00 74.10 O ATOM 1596 CB LEU A 101 -7.703 -11.313 -2.922 1.00 10.25 C ATOM 1597 CG LEU A 101 -9.189 -11.136 -2.479 1.00 2.31 C ATOM 1598 CD1 LEU A 101 -9.644 -9.664 -2.624 1.00 34.55 C ATOM 1599 CD2 LEU A 101 -10.125 -12.091 -3.247 1.00 73.25 C ATOM 0 H LEU A 101 -7.271 -12.492 -0.744 1.00 42.30 H new ATOM 0 HA LEU A 101 -7.680 -13.406 -3.465 1.00 33.04 H new ATOM 0 HB2 LEU A 101 -7.088 -10.644 -2.319 1.00 10.25 H new ATOM 0 HB3 LEU A 101 -7.616 -10.980 -3.956 1.00 10.25 H new ATOM 0 HG LEU A 101 -9.251 -11.399 -1.423 1.00 2.31 H new ATOM 0 HD11 LEU A 101 -10.683 -9.572 -2.308 1.00 34.55 H new ATOM 0 HD12 LEU A 101 -9.017 -9.026 -2.001 1.00 34.55 H new ATOM 0 HD13 LEU A 101 -9.553 -9.356 -3.666 1.00 34.55 H new ATOM 0 HD21 LEU A 101 -11.152 -11.941 -2.913 1.00 73.25 H new ATOM 0 HD22 LEU A 101 -10.057 -11.886 -4.315 1.00 73.25 H new ATOM 0 HD23 LEU A 101 -9.829 -13.122 -3.056 1.00 73.25 H new ATOM 1611 N PRO A 102 -5.331 -13.083 -4.598 1.00 54.53 N ATOM 1612 CA PRO A 102 -3.937 -13.115 -5.133 1.00 25.53 C ATOM 1613 C PRO A 102 -3.262 -11.723 -5.043 1.00 51.44 C ATOM 1614 O PRO A 102 -3.817 -10.738 -5.531 1.00 53.32 O ATOM 1615 CB PRO A 102 -4.122 -13.576 -6.611 1.00 60.22 C ATOM 1616 CG PRO A 102 -5.557 -13.263 -6.935 1.00 61.21 C ATOM 1617 CD PRO A 102 -6.322 -13.464 -5.645 1.00 43.01 C ATOM 0 HA PRO A 102 -3.282 -13.778 -4.568 1.00 25.53 H new ATOM 0 HB2 PRO A 102 -3.441 -13.047 -7.278 1.00 60.22 H new ATOM 0 HB3 PRO A 102 -3.915 -14.640 -6.722 1.00 60.22 H new ATOM 0 HG2 PRO A 102 -5.662 -12.240 -7.297 1.00 61.21 H new ATOM 0 HG3 PRO A 102 -5.933 -13.919 -7.720 1.00 61.21 H new ATOM 0 HD2 PRO A 102 -7.213 -12.837 -5.603 1.00 43.01 H new ATOM 0 HD3 PRO A 102 -6.653 -14.496 -5.530 1.00 43.01 H new ATOM 1625 N LEU A 103 -2.091 -11.668 -4.367 1.00 33.14 N ATOM 1626 CA LEU A 103 -1.304 -10.432 -4.145 1.00 20.31 C ATOM 1627 C LEU A 103 -0.995 -9.744 -5.491 1.00 43.31 C ATOM 1628 O LEU A 103 -1.287 -8.567 -5.673 1.00 34.43 O ATOM 1629 CB LEU A 103 0.004 -10.782 -3.337 1.00 3.43 C ATOM 1630 CG LEU A 103 0.799 -9.615 -2.627 1.00 52.42 C ATOM 1631 CD1 LEU A 103 1.655 -8.775 -3.596 1.00 23.22 C ATOM 1632 CD2 LEU A 103 -0.147 -8.717 -1.804 1.00 50.34 C ATOM 0 H LEU A 103 -1.659 -12.495 -3.954 1.00 33.14 H new ATOM 0 HA LEU A 103 -1.883 -9.723 -3.553 1.00 20.31 H new ATOM 0 HB2 LEU A 103 -0.266 -11.510 -2.572 1.00 3.43 H new ATOM 0 HB3 LEU A 103 0.691 -11.280 -4.022 1.00 3.43 H new ATOM 0 HG LEU A 103 1.500 -10.100 -1.948 1.00 52.42 H new ATOM 0 HD11 LEU A 103 2.172 -7.993 -3.040 1.00 23.22 H new ATOM 0 HD12 LEU A 103 2.387 -9.417 -4.085 1.00 23.22 H new ATOM 0 HD13 LEU A 103 1.011 -8.320 -4.349 1.00 23.22 H new ATOM 0 HD21 LEU A 103 0.428 -7.923 -1.327 1.00 50.34 H new ATOM 0 HD22 LEU A 103 -0.896 -8.277 -2.463 1.00 50.34 H new ATOM 0 HD23 LEU A 103 -0.643 -9.315 -1.040 1.00 50.34 H new ATOM 1644 N VAL A 104 -0.422 -10.514 -6.421 1.00 54.41 N ATOM 1645 CA VAL A 104 -0.095 -10.061 -7.787 1.00 51.34 C ATOM 1646 C VAL A 104 -0.948 -10.853 -8.800 1.00 21.10 C ATOM 1647 O VAL A 104 -0.878 -12.088 -8.833 1.00 22.32 O ATOM 1648 CB VAL A 104 1.441 -10.269 -8.088 1.00 70.51 C ATOM 1649 CG1 VAL A 104 1.803 -9.857 -9.525 1.00 43.15 C ATOM 1650 CG2 VAL A 104 2.327 -9.508 -7.074 1.00 71.23 C ATOM 0 H VAL A 104 -0.166 -11.486 -6.248 1.00 54.41 H new ATOM 0 HA VAL A 104 -0.317 -8.997 -7.875 1.00 51.34 H new ATOM 0 HB VAL A 104 1.638 -11.336 -7.983 1.00 70.51 H new ATOM 0 HG11 VAL A 104 2.868 -10.016 -9.691 1.00 43.15 H new ATOM 0 HG12 VAL A 104 1.232 -10.460 -10.231 1.00 43.15 H new ATOM 0 HG13 VAL A 104 1.566 -8.803 -9.672 1.00 43.15 H new ATOM 0 HG21 VAL A 104 3.378 -9.674 -7.312 1.00 71.23 H new ATOM 0 HG22 VAL A 104 2.107 -8.442 -7.127 1.00 71.23 H new ATOM 0 HG23 VAL A 104 2.121 -9.871 -6.067 1.00 71.23 H new ATOM 1660 N THR A 105 -1.768 -10.143 -9.600 1.00 21.41 N ATOM 1661 CA THR A 105 -2.525 -10.744 -10.716 1.00 74.35 C ATOM 1662 C THR A 105 -1.596 -10.942 -11.927 1.00 24.42 C ATOM 1663 O THR A 105 -1.476 -12.048 -12.475 1.00 53.34 O ATOM 1664 CB THR A 105 -3.758 -9.856 -11.121 1.00 15.35 C ATOM 1665 OG1 THR A 105 -3.359 -8.477 -11.243 1.00 34.31 O ATOM 1666 CG2 THR A 105 -4.907 -9.969 -10.111 1.00 55.42 C ATOM 0 H THR A 105 -1.924 -9.141 -9.491 1.00 21.41 H new ATOM 0 HA THR A 105 -2.906 -11.710 -10.385 1.00 74.35 H new ATOM 0 HB THR A 105 -4.118 -10.224 -12.081 1.00 15.35 H new ATOM 0 HG1 THR A 105 -4.032 -7.986 -11.760 1.00 34.31 H new ATOM 0 HG21 THR A 105 -5.737 -9.339 -10.432 1.00 55.42 H new ATOM 0 HG22 THR A 105 -5.240 -11.005 -10.053 1.00 55.42 H new ATOM 0 HG23 THR A 105 -4.562 -9.643 -9.130 1.00 55.42 H new