USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 803 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 79 CYS SG : rot 160:sc= -0.234 USER MOD Set 1.2: A 83 MET CE :methyl -178:sc= -6.12! (180deg=-6.73!) USER MOD Set 2.1: A 46 ASN : amide:sc= -0.187 X(o=-0.19,f=0.036) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 28 ASN : amide:sc= 0 X(o=-0.79,f=-0.89) USER MOD Set 3.2: A 29 THR OG1 : rot -144:sc= -0.998 USER MOD Set 3.3: A 32 THR OG1 : rot 132:sc= 0.206 USER MOD Single : A 19 SER OG : rot 180:sc= -0.153 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0648 K(o=-0.065,f=-1.7!) USER MOD Single : A 37 SER OG : rot 140:sc= -0.828 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -151:sc= -2.21! USER MOD Single : A 50 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.18) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.134 (180deg=-0.529!) USER MOD Single : A 58 SER OG : rot 21:sc= 0.0396 USER MOD Single : A 63 ASN : amide:sc= -0.0987 X(o=-0.099,f=-0.31) USER MOD Single : A 64 THR OG1 : rot 71:sc= 0.166 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 68 THR OG1 : rot -27:sc= -0.662 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.571 K(o=-0.57,f=-4.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00777) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0896 USER MOD Single : A 102 GLN : amide:sc= -2.59! C(o=-2.6!,f=-2.4!) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0613 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ALA A 18 12.961 -5.873 1.484 1.00 12.45 N ATOM 202 CA ALA A 18 12.045 -6.236 2.559 1.00 32.44 C ATOM 203 C ALA A 18 10.600 -5.946 2.168 1.00 60.22 C ATOM 204 O ALA A 18 10.335 -5.383 1.106 1.00 71.12 O ATOM 205 CB ALA A 18 12.408 -5.493 3.836 1.00 21.21 C ATOM 0 HA ALA A 18 12.138 -7.307 2.737 1.00 32.44 H new ATOM 0 HB1 ALA A 18 11.716 -5.774 4.630 1.00 21.21 H new ATOM 0 HB2 ALA A 18 13.424 -5.753 4.132 1.00 21.21 H new ATOM 0 HB3 ALA A 18 12.344 -4.419 3.663 1.00 21.21 H new ATOM 211 N SER A 19 9.669 -6.334 3.033 1.00 34.40 N ATOM 212 CA SER A 19 8.249 -6.120 2.776 1.00 63.33 C ATOM 213 C SER A 19 7.402 -6.647 3.930 1.00 72.31 C ATOM 214 O SER A 19 6.669 -7.627 3.798 1.00 3.13 O ATOM 215 CB SER A 19 7.837 -6.804 1.470 1.00 35.10 C ATOM 216 OG SER A 19 8.687 -7.899 1.178 1.00 12.45 O ATOM 0 H SER A 19 9.872 -6.798 3.918 1.00 34.40 H new ATOM 0 HA SER A 19 8.079 -5.047 2.685 1.00 63.33 H new ATOM 0 HB2 SER A 19 6.806 -7.150 1.546 1.00 35.10 H new ATOM 0 HB3 SER A 19 7.872 -6.084 0.652 1.00 35.10 H new ATOM 0 HG SER A 19 8.402 -8.320 0.340 1.00 12.45 H new ATOM 222 N PRO A 20 7.504 -5.981 5.090 1.00 72.42 N ATOM 223 CA PRO A 20 6.756 -6.363 6.290 1.00 35.02 C ATOM 224 C PRO A 20 5.261 -6.092 6.153 1.00 40.24 C ATOM 225 O PRO A 20 4.432 -6.891 6.585 1.00 64.43 O ATOM 226 CB PRO A 20 7.362 -5.480 7.383 1.00 74.24 C ATOM 227 CG PRO A 20 7.899 -4.295 6.657 1.00 42.04 C ATOM 228 CD PRO A 20 8.358 -4.804 5.318 1.00 51.43 C ATOM 0 HA PRO A 20 6.833 -7.431 6.495 1.00 35.02 H new ATOM 0 HB2 PRO A 20 6.612 -5.188 8.118 1.00 74.24 H new ATOM 0 HB3 PRO A 20 8.150 -6.004 7.924 1.00 74.24 H new ATOM 0 HG2 PRO A 20 7.133 -3.528 6.542 1.00 42.04 H new ATOM 0 HG3 PRO A 20 8.724 -3.842 7.206 1.00 42.04 H new ATOM 0 HD2 PRO A 20 8.227 -4.055 4.537 1.00 51.43 H new ATOM 0 HD3 PRO A 20 9.415 -5.071 5.330 1.00 51.43 H new ATOM 236 N ALA A 21 4.925 -4.957 5.547 1.00 32.42 N ATOM 237 CA ALA A 21 3.530 -4.581 5.349 1.00 15.41 C ATOM 238 C ALA A 21 2.804 -5.601 4.478 1.00 12.45 C ATOM 239 O ALA A 21 1.615 -5.860 4.668 1.00 40.12 O ATOM 240 CB ALA A 21 3.440 -3.194 4.728 1.00 15.54 C ATOM 0 H ALA A 21 5.599 -4.283 5.185 1.00 32.42 H new ATOM 0 HA ALA A 21 3.043 -4.563 6.324 1.00 15.41 H new ATOM 0 HB1 ALA A 21 2.393 -2.926 4.586 1.00 15.54 H new ATOM 0 HB2 ALA A 21 3.914 -2.468 5.389 1.00 15.54 H new ATOM 0 HB3 ALA A 21 3.949 -3.193 3.764 1.00 15.54 H new ATOM 246 N VAL A 22 3.525 -6.176 3.522 1.00 40.40 N ATOM 247 CA VAL A 22 2.950 -7.168 2.623 1.00 65.32 C ATOM 248 C VAL A 22 2.591 -8.447 3.371 1.00 25.02 C ATOM 249 O VAL A 22 1.520 -9.017 3.168 1.00 54.10 O ATOM 250 CB VAL A 22 3.918 -7.513 1.474 1.00 74.30 C ATOM 251 CG1 VAL A 22 3.214 -8.348 0.415 1.00 51.11 C ATOM 252 CG2 VAL A 22 4.497 -6.244 0.868 1.00 73.30 C ATOM 0 H VAL A 22 4.509 -5.972 3.350 1.00 40.40 H new ATOM 0 HA VAL A 22 2.044 -6.728 2.206 1.00 65.32 H new ATOM 0 HB VAL A 22 4.740 -8.103 1.879 1.00 74.30 H new ATOM 0 HG11 VAL A 22 3.913 -8.582 -0.388 1.00 51.11 H new ATOM 0 HG12 VAL A 22 2.853 -9.274 0.863 1.00 51.11 H new ATOM 0 HG13 VAL A 22 2.371 -7.787 0.011 1.00 51.11 H new ATOM 0 HG21 VAL A 22 5.178 -6.505 0.058 1.00 73.30 H new ATOM 0 HG22 VAL A 22 3.689 -5.626 0.477 1.00 73.30 H new ATOM 0 HG23 VAL A 22 5.039 -5.690 1.634 1.00 73.30 H new ATOM 262 N ALA A 23 3.494 -8.891 4.239 1.00 33.13 N ATOM 263 CA ALA A 23 3.272 -10.102 5.021 1.00 51.44 C ATOM 264 C ALA A 23 2.137 -9.907 6.021 1.00 11.11 C ATOM 265 O ALA A 23 1.250 -10.753 6.140 1.00 65.03 O ATOM 266 CB ALA A 23 4.550 -10.506 5.741 1.00 33.41 C ATOM 0 H ALA A 23 4.386 -8.431 4.419 1.00 33.13 H new ATOM 0 HA ALA A 23 2.986 -10.901 4.337 1.00 51.44 H new ATOM 0 HB1 ALA A 23 4.370 -11.411 6.321 1.00 33.41 H new ATOM 0 HB2 ALA A 23 5.336 -10.694 5.009 1.00 33.41 H new ATOM 0 HB3 ALA A 23 4.861 -9.703 6.409 1.00 33.41 H new ATOM 272 N GLU A 24 2.173 -8.790 6.740 1.00 13.34 N ATOM 273 CA GLU A 24 1.147 -8.488 7.732 1.00 2.13 C ATOM 274 C GLU A 24 -0.228 -8.383 7.078 1.00 4.21 C ATOM 275 O GLU A 24 -1.227 -8.841 7.633 1.00 34.43 O ATOM 276 CB GLU A 24 1.478 -7.183 8.460 1.00 43.32 C ATOM 277 CG GLU A 24 0.463 -6.806 9.527 1.00 3.32 C ATOM 278 CD GLU A 24 0.880 -5.583 10.321 1.00 71.04 C ATOM 279 OE1 GLU A 24 2.018 -5.108 10.125 1.00 11.23 O ATOM 280 OE2 GLU A 24 0.067 -5.101 11.137 1.00 41.11 O ATOM 0 H GLU A 24 2.900 -8.080 6.655 1.00 13.34 H new ATOM 0 HA GLU A 24 1.126 -9.304 8.455 1.00 2.13 H new ATOM 0 HB2 GLU A 24 2.461 -7.274 8.922 1.00 43.32 H new ATOM 0 HB3 GLU A 24 1.542 -6.376 7.730 1.00 43.32 H new ATOM 0 HG2 GLU A 24 -0.501 -6.617 9.056 1.00 3.32 H new ATOM 0 HG3 GLU A 24 0.326 -7.647 10.207 1.00 3.32 H new ATOM 287 N LEU A 25 -0.271 -7.777 5.897 1.00 2.41 N ATOM 288 CA LEU A 25 -1.522 -7.611 5.167 1.00 21.43 C ATOM 289 C LEU A 25 -1.999 -8.942 4.594 1.00 51.54 C ATOM 290 O LEU A 25 -3.195 -9.238 4.599 1.00 52.13 O ATOM 291 CB LEU A 25 -1.346 -6.591 4.040 1.00 54.14 C ATOM 292 CG LEU A 25 -1.678 -5.140 4.390 1.00 42.14 C ATOM 293 CD1 LEU A 25 -3.177 -4.899 4.305 1.00 24.14 C ATOM 294 CD2 LEU A 25 -1.157 -4.794 5.778 1.00 72.53 C ATOM 0 H LEU A 25 0.547 -7.392 5.424 1.00 2.41 H new ATOM 0 HA LEU A 25 -2.276 -7.246 5.865 1.00 21.43 H new ATOM 0 HB2 LEU A 25 -0.312 -6.634 3.697 1.00 54.14 H new ATOM 0 HB3 LEU A 25 -1.973 -6.894 3.202 1.00 54.14 H new ATOM 0 HG LEU A 25 -1.186 -4.490 3.666 1.00 42.14 H new ATOM 0 HD11 LEU A 25 -3.394 -3.861 4.557 1.00 24.14 H new ATOM 0 HD12 LEU A 25 -3.522 -5.106 3.292 1.00 24.14 H new ATOM 0 HD13 LEU A 25 -3.692 -5.558 5.005 1.00 24.14 H new ATOM 0 HD21 LEU A 25 -1.402 -3.758 6.011 1.00 72.53 H new ATOM 0 HD22 LEU A 25 -1.620 -5.451 6.515 1.00 72.53 H new ATOM 0 HD23 LEU A 25 -0.075 -4.926 5.804 1.00 72.53 H new ATOM 306 N CYS A 26 -1.058 -9.740 4.104 1.00 54.14 N ATOM 307 CA CYS A 26 -1.382 -11.041 3.528 1.00 20.03 C ATOM 308 C CYS A 26 -2.124 -11.911 4.537 1.00 3.33 C ATOM 309 O CYS A 26 -2.813 -12.861 4.163 1.00 24.21 O ATOM 310 CB CYS A 26 -0.107 -11.749 3.068 1.00 71.34 C ATOM 311 SG CYS A 26 0.106 -11.786 1.271 1.00 4.53 S ATOM 0 H CYS A 26 -0.064 -9.510 4.094 1.00 54.14 H new ATOM 0 HA CYS A 26 -2.031 -10.879 2.667 1.00 20.03 H new ATOM 0 HB2 CYS A 26 0.754 -11.252 3.516 1.00 71.34 H new ATOM 0 HB3 CYS A 26 -0.116 -12.772 3.444 1.00 71.34 H new ATOM 0 HG CYS A 26 1.212 -12.403 0.978 1.00 4.53 H new ATOM 317 N GLN A 27 -1.978 -11.582 5.817 1.00 50.34 N ATOM 318 CA GLN A 27 -2.634 -12.336 6.879 1.00 4.03 C ATOM 319 C GLN A 27 -4.149 -12.304 6.713 1.00 14.42 C ATOM 320 O GLN A 27 -4.863 -13.129 7.281 1.00 12.25 O ATOM 321 CB GLN A 27 -2.246 -11.772 8.247 1.00 44.21 C ATOM 322 CG GLN A 27 -0.745 -11.745 8.491 1.00 62.42 C ATOM 323 CD GLN A 27 -0.395 -11.611 9.959 1.00 64.12 C ATOM 324 OE1 GLN A 27 -1.263 -11.706 10.827 1.00 52.21 O ATOM 325 NE2 GLN A 27 0.882 -11.389 10.246 1.00 64.30 N ATOM 0 H GLN A 27 -1.412 -10.799 6.143 1.00 50.34 H new ATOM 0 HA GLN A 27 -2.302 -13.372 6.814 1.00 4.03 H new ATOM 0 HB2 GLN A 27 -2.639 -10.759 8.338 1.00 44.21 H new ATOM 0 HB3 GLN A 27 -2.721 -12.369 9.025 1.00 44.21 H new ATOM 0 HG2 GLN A 27 -0.300 -12.659 8.097 1.00 62.42 H new ATOM 0 HG3 GLN A 27 -0.306 -10.914 7.939 1.00 62.42 H new ATOM 0 HE21 GLN A 27 1.568 -11.317 9.495 1.00 64.30 H new ATOM 0 HE22 GLN A 27 1.177 -11.290 11.217 1.00 64.30 H new ATOM 334 N ASN A 28 -4.634 -11.343 5.933 1.00 44.41 N ATOM 335 CA ASN A 28 -6.066 -11.203 5.694 1.00 0.43 C ATOM 336 C ASN A 28 -6.464 -11.854 4.374 1.00 64.51 C ATOM 337 O ASN A 28 -7.268 -12.787 4.345 1.00 50.44 O ATOM 338 CB ASN A 28 -6.460 -9.724 5.684 1.00 10.30 C ATOM 339 CG ASN A 28 -7.957 -9.523 5.818 1.00 3.31 C ATOM 340 OD1 ASN A 28 -8.643 -9.222 4.840 1.00 31.24 O ATOM 341 ND2 ASN A 28 -8.471 -9.691 7.030 1.00 24.14 N ATOM 0 H ASN A 28 -4.057 -10.650 5.456 1.00 44.41 H new ATOM 0 HA ASN A 28 -6.595 -11.709 6.502 1.00 0.43 H new ATOM 0 HB2 ASN A 28 -5.953 -9.210 6.501 1.00 10.30 H new ATOM 0 HB3 ASN A 28 -6.116 -9.266 4.757 1.00 10.30 H new ATOM 0 HD21 ASN A 28 -9.473 -9.571 7.180 1.00 24.14 H new ATOM 0 HD22 ASN A 28 -7.864 -9.940 7.811 1.00 24.14 H new ATOM 348 N THR A 29 -5.894 -11.360 3.279 1.00 23.13 N ATOM 349 CA THR A 29 -6.188 -11.893 1.955 1.00 11.34 C ATOM 350 C THR A 29 -5.281 -11.273 0.898 1.00 73.15 C ATOM 351 O THR A 29 -4.851 -10.124 1.012 1.00 71.35 O ATOM 352 CB THR A 29 -7.658 -11.646 1.564 1.00 21.25 C ATOM 353 OG1 THR A 29 -8.287 -10.805 2.537 1.00 33.31 O ATOM 354 CG2 THR A 29 -8.417 -12.961 1.454 1.00 40.50 C ATOM 0 H THR A 29 -5.225 -10.590 3.284 1.00 23.13 H new ATOM 0 HA THR A 29 -6.007 -12.967 1.999 1.00 11.34 H new ATOM 0 HB THR A 29 -7.676 -11.153 0.592 1.00 21.25 H new ATOM 0 HG1 THR A 29 -9.219 -11.083 2.655 1.00 33.31 H new ATOM 0 HG21 THR A 29 -9.452 -12.762 1.177 1.00 40.50 H new ATOM 0 HG22 THR A 29 -7.952 -13.587 0.693 1.00 40.50 H new ATOM 0 HG23 THR A 29 -8.391 -13.477 2.414 1.00 40.50 H new ATOM 362 N PRO A 30 -4.984 -12.047 -0.156 1.00 62.22 N ATOM 363 CA PRO A 30 -4.126 -11.591 -1.255 1.00 33.45 C ATOM 364 C PRO A 30 -4.797 -10.519 -2.107 1.00 20.41 C ATOM 365 O PRO A 30 -4.224 -9.457 -2.347 1.00 23.14 O ATOM 366 CB PRO A 30 -3.900 -12.863 -2.076 1.00 20.32 C ATOM 367 CG PRO A 30 -5.080 -13.722 -1.780 1.00 24.42 C ATOM 368 CD PRO A 30 -5.462 -13.425 -0.357 1.00 52.23 C ATOM 0 HA PRO A 30 -3.207 -11.131 -0.893 1.00 33.45 H new ATOM 0 HB2 PRO A 30 -3.831 -12.639 -3.141 1.00 20.32 H new ATOM 0 HB3 PRO A 30 -2.970 -13.357 -1.793 1.00 20.32 H new ATOM 0 HG2 PRO A 30 -5.903 -13.501 -2.459 1.00 24.42 H new ATOM 0 HG3 PRO A 30 -4.836 -14.777 -1.907 1.00 24.42 H new ATOM 0 HD2 PRO A 30 -6.539 -13.503 -0.205 1.00 52.23 H new ATOM 0 HD3 PRO A 30 -4.991 -14.119 0.339 1.00 52.23 H new ATOM 376 N GLU A 31 -6.013 -10.805 -2.562 1.00 2.23 N ATOM 377 CA GLU A 31 -6.760 -9.865 -3.388 1.00 41.43 C ATOM 378 C GLU A 31 -7.156 -8.629 -2.584 1.00 43.12 C ATOM 379 O GLU A 31 -7.146 -7.510 -3.097 1.00 32.12 O ATOM 380 CB GLU A 31 -8.010 -10.534 -3.961 1.00 4.01 C ATOM 381 CG GLU A 31 -8.774 -9.661 -4.942 1.00 75.02 C ATOM 382 CD GLU A 31 -9.104 -10.382 -6.233 1.00 23.44 C ATOM 383 OE1 GLU A 31 -8.162 -10.731 -6.976 1.00 65.42 O ATOM 384 OE2 GLU A 31 -10.304 -10.601 -6.500 1.00 24.14 O ATOM 0 H GLU A 31 -6.501 -11.680 -2.372 1.00 2.23 H new ATOM 0 HA GLU A 31 -6.115 -9.553 -4.209 1.00 41.43 H new ATOM 0 HB2 GLU A 31 -7.720 -11.459 -4.460 1.00 4.01 H new ATOM 0 HB3 GLU A 31 -8.673 -10.809 -3.140 1.00 4.01 H new ATOM 0 HG2 GLU A 31 -9.698 -9.320 -4.475 1.00 75.02 H new ATOM 0 HG3 GLU A 31 -8.184 -8.773 -5.167 1.00 75.02 H new ATOM 391 N THR A 32 -7.504 -8.841 -1.319 1.00 32.31 N ATOM 392 CA THR A 32 -7.907 -7.748 -0.443 1.00 3.43 C ATOM 393 C THR A 32 -6.733 -6.821 -0.147 1.00 45.43 C ATOM 394 O THR A 32 -6.880 -5.598 -0.138 1.00 24.34 O ATOM 395 CB THR A 32 -8.479 -8.274 0.887 1.00 4.12 C ATOM 396 OG1 THR A 32 -9.670 -9.029 0.644 1.00 43.54 O ATOM 397 CG2 THR A 32 -8.784 -7.125 1.837 1.00 2.43 C ATOM 0 H THR A 32 -7.515 -9.761 -0.878 1.00 32.31 H new ATOM 0 HA THR A 32 -8.684 -7.192 -0.968 1.00 3.43 H new ATOM 0 HB THR A 32 -7.731 -8.918 1.350 1.00 4.12 H new ATOM 0 HG1 THR A 32 -9.621 -9.881 1.125 1.00 43.54 H new ATOM 0 HG21 THR A 32 -9.187 -7.521 2.769 1.00 2.43 H new ATOM 0 HG22 THR A 32 -7.868 -6.571 2.044 1.00 2.43 H new ATOM 0 HG23 THR A 32 -9.516 -6.459 1.379 1.00 2.43 H new ATOM 405 N PHE A 33 -5.565 -7.410 0.095 1.00 34.43 N ATOM 406 CA PHE A 33 -4.366 -6.637 0.392 1.00 2.41 C ATOM 407 C PHE A 33 -3.918 -5.838 -0.828 1.00 40.02 C ATOM 408 O PHE A 33 -3.492 -4.688 -0.710 1.00 64.53 O ATOM 409 CB PHE A 33 -3.237 -7.562 0.851 1.00 31.34 C ATOM 410 CG PHE A 33 -1.868 -7.065 0.488 1.00 22.33 C ATOM 411 CD1 PHE A 33 -1.418 -5.836 0.946 1.00 24.33 C ATOM 412 CD2 PHE A 33 -1.029 -7.825 -0.311 1.00 11.15 C ATOM 413 CE1 PHE A 33 -0.159 -5.376 0.613 1.00 21.43 C ATOM 414 CE2 PHE A 33 0.232 -7.370 -0.647 1.00 61.13 C ATOM 415 CZ PHE A 33 0.668 -6.144 -0.184 1.00 32.21 C ATOM 0 H PHE A 33 -5.425 -8.420 0.091 1.00 34.43 H new ATOM 0 HA PHE A 33 -4.604 -5.939 1.195 1.00 2.41 H new ATOM 0 HB2 PHE A 33 -3.295 -7.684 1.933 1.00 31.34 H new ATOM 0 HB3 PHE A 33 -3.385 -8.548 0.411 1.00 31.34 H new ATOM 0 HD1 PHE A 33 -2.059 -5.232 1.570 1.00 24.33 H new ATOM 0 HD2 PHE A 33 -1.365 -8.785 -0.676 1.00 11.15 H new ATOM 0 HE1 PHE A 33 0.179 -4.416 0.975 1.00 21.43 H new ATOM 0 HE2 PHE A 33 0.876 -7.972 -1.271 1.00 61.13 H new ATOM 0 HZ PHE A 33 1.653 -5.786 -0.444 1.00 32.21 H new ATOM 425 N LEU A 34 -4.016 -6.455 -2.000 1.00 73.31 N ATOM 426 CA LEU A 34 -3.621 -5.804 -3.245 1.00 11.50 C ATOM 427 C LEU A 34 -4.441 -4.539 -3.481 1.00 61.21 C ATOM 428 O LEU A 34 -3.894 -3.484 -3.802 1.00 12.05 O ATOM 429 CB LEU A 34 -3.792 -6.764 -4.423 1.00 55.41 C ATOM 430 CG LEU A 34 -2.590 -6.897 -5.359 1.00 34.31 C ATOM 431 CD1 LEU A 34 -2.126 -5.529 -5.831 1.00 42.41 C ATOM 432 CD2 LEU A 34 -1.456 -7.638 -4.668 1.00 34.23 C ATOM 0 H LEU A 34 -4.366 -7.406 -2.115 1.00 73.31 H new ATOM 0 HA LEU A 34 -2.571 -5.524 -3.163 1.00 11.50 H new ATOM 0 HB2 LEU A 34 -4.032 -7.752 -4.029 1.00 55.41 H new ATOM 0 HB3 LEU A 34 -4.650 -6.438 -5.010 1.00 55.41 H new ATOM 0 HG LEU A 34 -2.896 -7.474 -6.232 1.00 34.31 H new ATOM 0 HD11 LEU A 34 -1.270 -5.645 -6.496 1.00 42.41 H new ATOM 0 HD12 LEU A 34 -2.937 -5.034 -6.366 1.00 42.41 H new ATOM 0 HD13 LEU A 34 -1.838 -4.926 -4.970 1.00 42.41 H new ATOM 0 HD21 LEU A 34 -0.609 -7.723 -5.349 1.00 34.23 H new ATOM 0 HD22 LEU A 34 -1.152 -7.088 -3.777 1.00 34.23 H new ATOM 0 HD23 LEU A 34 -1.793 -8.634 -4.382 1.00 34.23 H new ATOM 444 N GLU A 35 -5.755 -4.653 -3.318 1.00 31.22 N ATOM 445 CA GLU A 35 -6.650 -3.518 -3.512 1.00 4.52 C ATOM 446 C GLU A 35 -6.549 -2.541 -2.345 1.00 73.15 C ATOM 447 O GLU A 35 -6.470 -1.328 -2.542 1.00 32.30 O ATOM 448 CB GLU A 35 -8.095 -3.998 -3.667 1.00 31.02 C ATOM 449 CG GLU A 35 -8.640 -3.844 -5.076 1.00 63.14 C ATOM 450 CD GLU A 35 -8.487 -2.432 -5.608 1.00 51.02 C ATOM 451 OE1 GLU A 35 -9.030 -1.499 -4.981 1.00 61.35 O ATOM 452 OE2 GLU A 35 -7.824 -2.261 -6.654 1.00 14.44 O ATOM 0 H GLU A 35 -6.223 -5.519 -3.052 1.00 31.22 H new ATOM 0 HA GLU A 35 -6.348 -3.002 -4.423 1.00 4.52 H new ATOM 0 HB2 GLU A 35 -8.153 -5.047 -3.377 1.00 31.02 H new ATOM 0 HB3 GLU A 35 -8.730 -3.441 -2.978 1.00 31.02 H new ATOM 0 HG2 GLU A 35 -8.123 -4.537 -5.740 1.00 63.14 H new ATOM 0 HG3 GLU A 35 -9.694 -4.120 -5.086 1.00 63.14 H new ATOM 459 N ALA A 36 -6.554 -3.077 -1.130 1.00 53.12 N ATOM 460 CA ALA A 36 -6.462 -2.252 0.070 1.00 32.32 C ATOM 461 C ALA A 36 -5.150 -1.475 0.101 1.00 14.14 C ATOM 462 O ALA A 36 -5.081 -0.382 0.665 1.00 64.22 O ATOM 463 CB ALA A 36 -6.595 -3.117 1.315 1.00 54.12 C ATOM 0 H ALA A 36 -6.621 -4.079 -0.949 1.00 53.12 H new ATOM 0 HA ALA A 36 -7.280 -1.532 0.052 1.00 32.32 H new ATOM 0 HB1 ALA A 36 -6.525 -2.489 2.203 1.00 54.12 H new ATOM 0 HB2 ALA A 36 -7.560 -3.624 1.304 1.00 54.12 H new ATOM 0 HB3 ALA A 36 -5.796 -3.858 1.330 1.00 54.12 H new ATOM 469 N SER A 37 -4.115 -2.044 -0.506 1.00 5.25 N ATOM 470 CA SER A 37 -2.804 -1.406 -0.541 1.00 70.13 C ATOM 471 C SER A 37 -2.686 -0.479 -1.749 1.00 5.24 C ATOM 472 O SER A 37 -1.934 0.496 -1.726 1.00 23.32 O ATOM 473 CB SER A 37 -1.699 -2.463 -0.584 1.00 33.33 C ATOM 474 OG SER A 37 -0.418 -1.865 -0.487 1.00 63.12 O ATOM 0 H SER A 37 -4.158 -2.946 -0.981 1.00 5.25 H new ATOM 0 HA SER A 37 -2.691 -0.811 0.366 1.00 70.13 H new ATOM 0 HB2 SER A 37 -1.836 -3.171 0.233 1.00 33.33 H new ATOM 0 HB3 SER A 37 -1.770 -3.030 -1.512 1.00 33.33 H new ATOM 0 HG SER A 37 0.156 -2.413 0.088 1.00 63.12 H new ATOM 480 N LYS A 38 -3.433 -0.792 -2.802 1.00 25.13 N ATOM 481 CA LYS A 38 -3.413 0.010 -4.019 1.00 4.55 C ATOM 482 C LYS A 38 -3.702 1.476 -3.710 1.00 53.02 C ATOM 483 O LYS A 38 -2.999 2.371 -4.178 1.00 14.02 O ATOM 484 CB LYS A 38 -4.438 -0.523 -5.022 1.00 71.33 C ATOM 485 CG LYS A 38 -4.155 -0.113 -6.458 1.00 13.02 C ATOM 486 CD LYS A 38 -5.438 0.031 -7.259 1.00 65.42 C ATOM 487 CE LYS A 38 -6.226 1.260 -6.833 1.00 34.24 C ATOM 488 NZ LYS A 38 -6.784 1.994 -8.001 1.00 33.31 N ATOM 0 H LYS A 38 -4.060 -1.596 -2.837 1.00 25.13 H new ATOM 0 HA LYS A 38 -2.416 -0.061 -4.455 1.00 4.55 H new ATOM 0 HB2 LYS A 38 -4.461 -1.611 -4.962 1.00 71.33 H new ATOM 0 HB3 LYS A 38 -5.429 -0.167 -4.740 1.00 71.33 H new ATOM 0 HG2 LYS A 38 -3.611 0.832 -6.467 1.00 13.02 H new ATOM 0 HG3 LYS A 38 -3.512 -0.856 -6.930 1.00 13.02 H new ATOM 0 HD2 LYS A 38 -5.200 0.100 -8.320 1.00 65.42 H new ATOM 0 HD3 LYS A 38 -6.052 -0.860 -7.128 1.00 65.42 H new ATOM 0 HE2 LYS A 38 -7.038 0.959 -6.172 1.00 34.24 H new ATOM 0 HE3 LYS A 38 -5.579 1.926 -6.261 1.00 34.24 H new ATOM 0 HZ1 LYS A 38 -7.314 2.825 -7.668 1.00 33.31 H new ATOM 0 HZ2 LYS A 38 -6.007 2.304 -8.620 1.00 33.31 H new ATOM 0 HZ3 LYS A 38 -7.421 1.367 -8.533 1.00 33.31 H new ATOM 502 N LEU A 39 -4.743 1.714 -2.918 1.00 11.45 N ATOM 503 CA LEU A 39 -5.124 3.071 -2.544 1.00 14.11 C ATOM 504 C LEU A 39 -3.978 3.784 -1.835 1.00 41.41 C ATOM 505 O LEU A 39 -3.654 4.929 -2.153 1.00 62.13 O ATOM 506 CB LEU A 39 -6.358 3.044 -1.640 1.00 35.01 C ATOM 507 CG LEU A 39 -7.504 2.136 -2.094 1.00 11.41 C ATOM 508 CD1 LEU A 39 -7.865 1.146 -0.998 1.00 1.32 C ATOM 509 CD2 LEU A 39 -8.716 2.966 -2.488 1.00 63.10 C ATOM 0 H LEU A 39 -5.337 0.985 -2.523 1.00 11.45 H new ATOM 0 HA LEU A 39 -5.359 3.619 -3.456 1.00 14.11 H new ATOM 0 HB2 LEU A 39 -6.047 2.732 -0.643 1.00 35.01 H new ATOM 0 HB3 LEU A 39 -6.740 4.061 -1.550 1.00 35.01 H new ATOM 0 HG LEU A 39 -7.175 1.574 -2.968 1.00 11.41 H new ATOM 0 HD11 LEU A 39 -8.681 0.509 -1.338 1.00 1.32 H new ATOM 0 HD12 LEU A 39 -6.997 0.530 -0.764 1.00 1.32 H new ATOM 0 HD13 LEU A 39 -8.176 1.689 -0.105 1.00 1.32 H new ATOM 0 HD21 LEU A 39 -9.521 2.305 -2.808 1.00 63.10 H new ATOM 0 HD22 LEU A 39 -9.048 3.554 -1.632 1.00 63.10 H new ATOM 0 HD23 LEU A 39 -8.449 3.635 -3.306 1.00 63.10 H new ATOM 521 N LEU A 40 -3.364 3.100 -0.877 1.00 1.22 N ATOM 522 CA LEU A 40 -2.249 3.667 -0.124 1.00 20.43 C ATOM 523 C LEU A 40 -1.096 4.033 -1.052 1.00 73.40 C ATOM 524 O LEU A 40 -0.431 5.052 -0.862 1.00 54.20 O ATOM 525 CB LEU A 40 -1.771 2.676 0.939 1.00 40.54 C ATOM 526 CG LEU A 40 -2.865 1.951 1.722 1.00 5.42 C ATOM 527 CD1 LEU A 40 -2.258 1.128 2.848 1.00 13.34 C ATOM 528 CD2 LEU A 40 -3.876 2.945 2.271 1.00 14.53 C ATOM 0 H LEU A 40 -3.619 2.151 -0.602 1.00 1.22 H new ATOM 0 HA LEU A 40 -2.597 4.576 0.367 1.00 20.43 H new ATOM 0 HB2 LEU A 40 -1.143 1.928 0.454 1.00 40.54 H new ATOM 0 HB3 LEU A 40 -1.139 3.211 1.648 1.00 40.54 H new ATOM 0 HG LEU A 40 -3.384 1.274 1.043 1.00 5.42 H new ATOM 0 HD11 LEU A 40 -3.051 0.619 3.395 1.00 13.34 H new ATOM 0 HD12 LEU A 40 -1.573 0.390 2.431 1.00 13.34 H new ATOM 0 HD13 LEU A 40 -1.714 1.785 3.526 1.00 13.34 H new ATOM 0 HD21 LEU A 40 -4.647 2.411 2.826 1.00 14.53 H new ATOM 0 HD22 LEU A 40 -3.372 3.647 2.935 1.00 14.53 H new ATOM 0 HD23 LEU A 40 -4.334 3.491 1.446 1.00 14.53 H new ATOM 540 N LEU A 41 -0.865 3.197 -2.059 1.00 34.04 N ATOM 541 CA LEU A 41 0.207 3.433 -3.019 1.00 62.12 C ATOM 542 C LEU A 41 -0.040 4.716 -3.807 1.00 11.42 C ATOM 543 O LEU A 41 0.860 5.541 -3.969 1.00 42.41 O ATOM 544 CB LEU A 41 0.328 2.248 -3.980 1.00 71.42 C ATOM 545 CG LEU A 41 1.747 1.747 -4.250 1.00 33.43 C ATOM 546 CD1 LEU A 41 2.373 1.207 -2.974 1.00 2.31 C ATOM 547 CD2 LEU A 41 1.737 0.679 -5.333 1.00 70.31 C ATOM 0 H LEU A 41 -1.406 2.350 -2.231 1.00 34.04 H new ATOM 0 HA LEU A 41 1.139 3.542 -2.465 1.00 62.12 H new ATOM 0 HB2 LEU A 41 -0.258 1.420 -3.581 1.00 71.42 H new ATOM 0 HB3 LEU A 41 -0.124 2.529 -4.931 1.00 71.42 H new ATOM 0 HG LEU A 41 2.348 2.586 -4.599 1.00 33.43 H new ATOM 0 HD11 LEU A 41 3.383 0.855 -3.185 1.00 2.31 H new ATOM 0 HD12 LEU A 41 2.414 1.998 -2.226 1.00 2.31 H new ATOM 0 HD13 LEU A 41 1.772 0.380 -2.596 1.00 2.31 H new ATOM 0 HD21 LEU A 41 2.755 0.333 -5.513 1.00 70.31 H new ATOM 0 HD22 LEU A 41 1.121 -0.160 -5.011 1.00 70.31 H new ATOM 0 HD23 LEU A 41 1.328 1.097 -6.253 1.00 70.31 H new ATOM 559 N THR A 42 -1.268 4.881 -4.291 1.00 11.52 N ATOM 560 CA THR A 42 -1.633 6.065 -5.058 1.00 43.11 C ATOM 561 C THR A 42 -1.453 7.334 -4.233 1.00 33.35 C ATOM 562 O THR A 42 -0.976 8.350 -4.736 1.00 43.55 O ATOM 563 CB THR A 42 -3.092 5.987 -5.549 1.00 44.13 C ATOM 564 OG1 THR A 42 -3.253 4.871 -6.432 1.00 61.03 O ATOM 565 CG2 THR A 42 -3.489 7.268 -6.265 1.00 73.32 C ATOM 0 H THR A 42 -2.025 4.210 -4.165 1.00 11.52 H new ATOM 0 HA THR A 42 -0.967 6.100 -5.921 1.00 43.11 H new ATOM 0 HB THR A 42 -3.739 5.858 -4.681 1.00 44.13 H new ATOM 0 HG1 THR A 42 -4.183 4.828 -6.738 1.00 61.03 H new ATOM 0 HG21 THR A 42 -4.522 7.191 -6.603 1.00 73.32 H new ATOM 0 HG22 THR A 42 -3.393 8.112 -5.582 1.00 73.32 H new ATOM 0 HG23 THR A 42 -2.837 7.421 -7.125 1.00 73.32 H new ATOM 573 N TYR A 43 -1.838 7.266 -2.964 1.00 74.13 N ATOM 574 CA TYR A 43 -1.723 8.411 -2.068 1.00 65.13 C ATOM 575 C TYR A 43 -0.261 8.803 -1.873 1.00 72.12 C ATOM 576 O TYR A 43 0.084 9.984 -1.885 1.00 50.51 O ATOM 577 CB TYR A 43 -2.361 8.095 -0.715 1.00 73.32 C ATOM 578 CG TYR A 43 -3.860 7.898 -0.784 1.00 65.05 C ATOM 579 CD1 TYR A 43 -4.661 8.775 -1.505 1.00 32.33 C ATOM 580 CD2 TYR A 43 -4.471 6.837 -0.129 1.00 33.22 C ATOM 581 CE1 TYR A 43 -6.031 8.598 -1.571 1.00 42.03 C ATOM 582 CE2 TYR A 43 -5.839 6.652 -0.192 1.00 14.52 C ATOM 583 CZ TYR A 43 -6.614 7.535 -0.913 1.00 40.32 C ATOM 584 OH TYR A 43 -7.977 7.358 -0.975 1.00 33.34 O ATOM 0 H TYR A 43 -2.232 6.430 -2.532 1.00 74.13 H new ATOM 0 HA TYR A 43 -2.250 9.250 -2.523 1.00 65.13 H new ATOM 0 HB2 TYR A 43 -1.903 7.194 -0.308 1.00 73.32 H new ATOM 0 HB3 TYR A 43 -2.141 8.906 -0.021 1.00 73.32 H new ATOM 0 HD1 TYR A 43 -4.207 9.608 -2.022 1.00 32.33 H new ATOM 0 HD2 TYR A 43 -3.867 6.145 0.439 1.00 33.22 H new ATOM 0 HE1 TYR A 43 -6.641 9.288 -2.135 1.00 42.03 H new ATOM 0 HE2 TYR A 43 -6.298 5.820 0.321 1.00 14.52 H new ATOM 0 HH TYR A 43 -8.287 6.913 -0.159 1.00 33.34 H new ATOM 594 N ALA A 44 0.595 7.802 -1.695 1.00 50.22 N ATOM 595 CA ALA A 44 2.019 8.040 -1.500 1.00 4.30 C ATOM 596 C ALA A 44 2.662 8.591 -2.768 1.00 45.33 C ATOM 597 O ALA A 44 3.649 9.325 -2.707 1.00 52.23 O ATOM 598 CB ALA A 44 2.715 6.758 -1.067 1.00 25.50 C ATOM 0 H ALA A 44 0.326 6.818 -1.682 1.00 50.22 H new ATOM 0 HA ALA A 44 2.133 8.785 -0.713 1.00 4.30 H new ATOM 0 HB1 ALA A 44 3.778 6.951 -0.925 1.00 25.50 H new ATOM 0 HB2 ALA A 44 2.282 6.407 -0.130 1.00 25.50 H new ATOM 0 HB3 ALA A 44 2.584 5.996 -1.835 1.00 25.50 H new ATOM 604 N ASP A 45 2.099 8.232 -3.916 1.00 0.51 N ATOM 605 CA ASP A 45 2.617 8.690 -5.200 1.00 14.54 C ATOM 606 C ASP A 45 2.654 10.215 -5.257 1.00 74.40 C ATOM 607 O ASP A 45 3.597 10.803 -5.783 1.00 24.42 O ATOM 608 CB ASP A 45 1.762 8.144 -6.344 1.00 30.05 C ATOM 609 CG ASP A 45 2.600 7.615 -7.491 1.00 45.10 C ATOM 610 OD1 ASP A 45 3.780 8.013 -7.597 1.00 25.53 O ATOM 611 OD2 ASP A 45 2.077 6.804 -8.282 1.00 63.12 O ATOM 0 H ASP A 45 1.283 7.624 -3.984 1.00 0.51 H new ATOM 0 HA ASP A 45 3.635 8.315 -5.309 1.00 14.54 H new ATOM 0 HB2 ASP A 45 1.122 7.346 -5.967 1.00 30.05 H new ATOM 0 HB3 ASP A 45 1.105 8.932 -6.711 1.00 30.05 H new ATOM 616 N ASN A 46 1.617 10.846 -4.715 1.00 42.42 N ATOM 617 CA ASN A 46 1.530 12.302 -4.707 1.00 72.21 C ATOM 618 C ASN A 46 2.667 12.911 -3.891 1.00 63.33 C ATOM 619 O ASN A 46 3.338 13.840 -4.343 1.00 13.52 O ATOM 620 CB ASN A 46 0.182 12.750 -4.136 1.00 2.43 C ATOM 621 CG ASN A 46 -0.980 12.364 -5.030 1.00 23.41 C ATOM 622 OD1 ASN A 46 -1.939 11.734 -4.583 1.00 42.54 O ATOM 623 ND2 ASN A 46 -0.900 12.741 -6.302 1.00 32.12 N ATOM 0 H ASN A 46 0.827 10.373 -4.277 1.00 42.42 H new ATOM 0 HA ASN A 46 1.617 12.652 -5.736 1.00 72.21 H new ATOM 0 HB2 ASN A 46 0.042 12.306 -3.150 1.00 2.43 H new ATOM 0 HB3 ASN A 46 0.189 13.831 -4.000 1.00 2.43 H new ATOM 0 HD21 ASN A 46 -1.652 12.509 -6.951 1.00 32.12 H new ATOM 0 HD22 ASN A 46 -0.086 13.262 -6.629 1.00 32.12 H new ATOM 630 N ILE A 47 2.877 12.381 -2.692 1.00 64.25 N ATOM 631 CA ILE A 47 3.934 12.871 -1.816 1.00 13.21 C ATOM 632 C ILE A 47 5.312 12.576 -2.398 1.00 65.25 C ATOM 633 O ILE A 47 6.224 13.401 -2.314 1.00 75.14 O ATOM 634 CB ILE A 47 3.838 12.243 -0.411 1.00 62.34 C ATOM 635 CG1 ILE A 47 2.523 12.644 0.260 1.00 50.14 C ATOM 636 CG2 ILE A 47 5.024 12.666 0.439 1.00 11.44 C ATOM 637 CD1 ILE A 47 1.424 11.618 0.098 1.00 3.14 C ATOM 0 H ILE A 47 2.330 11.612 -2.304 1.00 64.25 H new ATOM 0 HA ILE A 47 3.800 13.950 -1.734 1.00 13.21 H new ATOM 0 HB ILE A 47 3.857 11.158 -0.511 1.00 62.34 H new ATOM 0 HG12 ILE A 47 2.702 12.808 1.323 1.00 50.14 H new ATOM 0 HG13 ILE A 47 2.187 13.593 -0.157 1.00 50.14 H new ATOM 0 HG21 ILE A 47 4.942 12.215 1.428 1.00 11.44 H new ATOM 0 HG22 ILE A 47 5.948 12.335 -0.035 1.00 11.44 H new ATOM 0 HG23 ILE A 47 5.034 13.752 0.535 1.00 11.44 H new ATOM 0 HD11 ILE A 47 0.522 11.969 0.599 1.00 3.14 H new ATOM 0 HD12 ILE A 47 1.217 11.471 -0.962 1.00 3.14 H new ATOM 0 HD13 ILE A 47 1.740 10.673 0.540 1.00 3.14 H new ATOM 649 N LEU A 48 5.459 11.396 -2.990 1.00 21.44 N ATOM 650 CA LEU A 48 6.726 10.992 -3.589 1.00 74.30 C ATOM 651 C LEU A 48 7.029 11.824 -4.830 1.00 43.52 C ATOM 652 O LEU A 48 8.183 12.166 -5.092 1.00 71.11 O ATOM 653 CB LEU A 48 6.690 9.507 -3.952 1.00 75.43 C ATOM 654 CG LEU A 48 6.437 8.538 -2.796 1.00 13.20 C ATOM 655 CD1 LEU A 48 5.675 7.314 -3.282 1.00 42.21 C ATOM 656 CD2 LEU A 48 7.750 8.128 -2.146 1.00 71.00 C ATOM 0 H LEU A 48 4.716 10.702 -3.068 1.00 21.44 H new ATOM 0 HA LEU A 48 7.517 11.161 -2.858 1.00 74.30 H new ATOM 0 HB2 LEU A 48 5.914 9.356 -4.702 1.00 75.43 H new ATOM 0 HB3 LEU A 48 7.640 9.245 -4.418 1.00 75.43 H new ATOM 0 HG LEU A 48 5.828 9.046 -2.048 1.00 13.20 H new ATOM 0 HD11 LEU A 48 5.504 6.636 -2.446 1.00 42.21 H new ATOM 0 HD12 LEU A 48 4.717 7.624 -3.699 1.00 42.21 H new ATOM 0 HD13 LEU A 48 6.257 6.804 -4.050 1.00 42.21 H new ATOM 0 HD21 LEU A 48 7.550 7.439 -1.326 1.00 71.00 H new ATOM 0 HD22 LEU A 48 8.385 7.639 -2.885 1.00 71.00 H new ATOM 0 HD23 LEU A 48 8.257 9.013 -1.761 1.00 71.00 H new ATOM 668 N ARG A 49 5.989 12.146 -5.590 1.00 45.00 N ATOM 669 CA ARG A 49 6.145 12.939 -6.805 1.00 13.34 C ATOM 670 C ARG A 49 6.472 14.392 -6.467 1.00 10.45 C ATOM 671 O ARG A 49 7.265 15.035 -7.154 1.00 61.43 O ATOM 672 CB ARG A 49 4.870 12.876 -7.648 1.00 3.21 C ATOM 673 CG ARG A 49 4.731 11.588 -8.444 1.00 73.35 C ATOM 674 CD ARG A 49 5.859 11.431 -9.451 1.00 0.40 C ATOM 675 NE ARG A 49 5.373 11.458 -10.827 1.00 62.34 N ATOM 676 CZ ARG A 49 6.169 11.533 -11.887 1.00 42.23 C ATOM 677 NH1 ARG A 49 7.484 11.588 -11.730 1.00 43.32 N ATOM 678 NH2 ARG A 49 5.651 11.553 -13.109 1.00 0.44 N ATOM 0 H ARG A 49 5.028 11.870 -5.387 1.00 45.00 H new ATOM 0 HA ARG A 49 6.973 12.521 -7.378 1.00 13.34 H new ATOM 0 HB2 ARG A 49 4.005 12.984 -6.993 1.00 3.21 H new ATOM 0 HB3 ARG A 49 4.857 13.722 -8.336 1.00 3.21 H new ATOM 0 HG2 ARG A 49 4.729 10.737 -7.763 1.00 73.35 H new ATOM 0 HG3 ARG A 49 3.773 11.582 -8.965 1.00 73.35 H new ATOM 0 HD2 ARG A 49 6.586 12.230 -9.308 1.00 0.40 H new ATOM 0 HD3 ARG A 49 6.379 10.491 -9.269 1.00 0.40 H new ATOM 0 HE ARG A 49 4.366 11.417 -10.983 1.00 62.34 H new ATOM 0 HH11 ARG A 49 7.887 11.573 -10.793 1.00 43.32 H new ATOM 0 HH12 ARG A 49 8.093 11.646 -12.546 1.00 43.32 H new ATOM 0 HH21 ARG A 49 4.640 11.511 -13.235 1.00 0.44 H new ATOM 0 HH22 ARG A 49 6.264 11.611 -13.922 1.00 0.44 H new ATOM 692 N ASN A 50 5.857 14.900 -5.405 1.00 31.02 N ATOM 693 CA ASN A 50 6.082 16.275 -4.977 1.00 61.31 C ATOM 694 C ASN A 50 6.207 16.359 -3.458 1.00 42.42 C ATOM 695 O ASN A 50 5.338 16.893 -2.768 1.00 43.34 O ATOM 696 CB ASN A 50 4.942 17.175 -5.457 1.00 74.54 C ATOM 697 CG ASN A 50 4.649 16.999 -6.934 1.00 42.21 C ATOM 698 OD1 ASN A 50 5.203 17.706 -7.776 1.00 54.42 O ATOM 699 ND2 ASN A 50 3.774 16.052 -7.255 1.00 42.21 N ATOM 0 H ASN A 50 5.199 14.380 -4.825 1.00 31.02 H new ATOM 0 HA ASN A 50 7.017 16.618 -5.420 1.00 61.31 H new ATOM 0 HB2 ASN A 50 4.042 16.955 -4.882 1.00 74.54 H new ATOM 0 HB3 ASN A 50 5.198 18.216 -5.262 1.00 74.54 H new ATOM 0 HD21 ASN A 50 3.537 15.887 -8.233 1.00 42.21 H new ATOM 0 HD22 ASN A 50 3.339 15.490 -6.523 1.00 42.21 H new ATOM 706 N PRO A 51 7.314 15.821 -2.925 1.00 75.23 N ATOM 707 CA PRO A 51 7.579 15.823 -1.483 1.00 41.21 C ATOM 708 C PRO A 51 7.885 17.220 -0.952 1.00 72.14 C ATOM 709 O PRO A 51 7.672 17.506 0.226 1.00 2.33 O ATOM 710 CB PRO A 51 8.807 14.919 -1.347 1.00 5.01 C ATOM 711 CG PRO A 51 9.485 15.001 -2.671 1.00 45.12 C ATOM 712 CD PRO A 51 8.390 15.169 -3.688 1.00 23.01 C ATOM 0 HA PRO A 51 6.717 15.483 -0.910 1.00 41.21 H new ATOM 0 HB2 PRO A 51 9.462 15.259 -0.545 1.00 5.01 H new ATOM 0 HB3 PRO A 51 8.520 13.894 -1.112 1.00 5.01 H new ATOM 0 HG2 PRO A 51 10.179 15.841 -2.703 1.00 45.12 H new ATOM 0 HG3 PRO A 51 10.066 14.100 -2.868 1.00 45.12 H new ATOM 0 HD2 PRO A 51 8.714 15.781 -4.530 1.00 23.01 H new ATOM 0 HD3 PRO A 51 8.070 14.210 -4.096 1.00 23.01 H new ATOM 720 N SER A 52 8.383 18.085 -1.829 1.00 42.43 N ATOM 721 CA SER A 52 8.721 19.452 -1.448 1.00 1.52 C ATOM 722 C SER A 52 7.463 20.302 -1.301 1.00 33.44 C ATOM 723 O SER A 52 7.425 21.240 -0.505 1.00 55.22 O ATOM 724 CB SER A 52 9.654 20.077 -2.485 1.00 44.43 C ATOM 725 OG SER A 52 11.006 19.742 -2.225 1.00 2.32 O ATOM 0 H SER A 52 8.562 17.864 -2.809 1.00 42.43 H new ATOM 0 HA SER A 52 9.230 19.419 -0.485 1.00 1.52 H new ATOM 0 HB2 SER A 52 9.377 19.734 -3.482 1.00 44.43 H new ATOM 0 HB3 SER A 52 9.537 21.161 -2.477 1.00 44.43 H new ATOM 0 HG SER A 52 11.581 20.153 -2.904 1.00 2.32 H new ATOM 731 N ASP A 53 6.436 19.964 -2.073 1.00 44.42 N ATOM 732 CA ASP A 53 5.174 20.696 -2.028 1.00 50.42 C ATOM 733 C ASP A 53 4.392 20.353 -0.765 1.00 35.45 C ATOM 734 O ASP A 53 3.747 19.307 -0.688 1.00 52.30 O ATOM 735 CB ASP A 53 4.333 20.379 -3.267 1.00 33.12 C ATOM 736 CG ASP A 53 4.509 21.410 -4.364 1.00 32.31 C ATOM 737 OD1 ASP A 53 3.894 22.494 -4.264 1.00 23.01 O ATOM 738 OD2 ASP A 53 5.258 21.134 -5.323 1.00 23.11 O ATOM 0 H ASP A 53 6.452 19.189 -2.736 1.00 44.42 H new ATOM 0 HA ASP A 53 5.400 21.762 -2.014 1.00 50.42 H new ATOM 0 HB2 ASP A 53 4.609 19.396 -3.648 1.00 33.12 H new ATOM 0 HB3 ASP A 53 3.281 20.328 -2.986 1.00 33.12 H new ATOM 743 N GLU A 54 4.454 21.240 0.224 1.00 3.02 N ATOM 744 CA GLU A 54 3.752 21.027 1.484 1.00 43.45 C ATOM 745 C GLU A 54 2.245 20.956 1.261 1.00 22.14 C ATOM 746 O GLU A 54 1.514 20.374 2.065 1.00 5.42 O ATOM 747 CB GLU A 54 4.079 22.152 2.469 1.00 15.14 C ATOM 748 CG GLU A 54 5.268 21.849 3.366 1.00 74.33 C ATOM 749 CD GLU A 54 5.706 23.049 4.181 1.00 42.13 C ATOM 750 OE1 GLU A 54 4.862 23.932 4.439 1.00 55.03 O ATOM 751 OE2 GLU A 54 6.896 23.108 4.560 1.00 75.33 O ATOM 0 H GLU A 54 4.982 22.111 0.177 1.00 3.02 H new ATOM 0 HA GLU A 54 4.086 20.077 1.902 1.00 43.45 H new ATOM 0 HB2 GLU A 54 4.280 23.066 1.910 1.00 15.14 H new ATOM 0 HB3 GLU A 54 3.205 22.344 3.091 1.00 15.14 H new ATOM 0 HG2 GLU A 54 5.011 21.032 4.040 1.00 74.33 H new ATOM 0 HG3 GLU A 54 6.102 21.507 2.754 1.00 74.33 H new ATOM 758 N LYS A 55 1.785 21.549 0.165 1.00 34.23 N ATOM 759 CA LYS A 55 0.364 21.551 -0.167 1.00 12.15 C ATOM 760 C LYS A 55 -0.131 20.135 -0.445 1.00 61.45 C ATOM 761 O LYS A 55 -1.320 19.845 -0.305 1.00 50.24 O ATOM 762 CB LYS A 55 0.105 22.442 -1.382 1.00 55.53 C ATOM 763 CG LYS A 55 0.920 22.057 -2.604 1.00 73.02 C ATOM 764 CD LYS A 55 0.252 20.942 -3.391 1.00 73.41 C ATOM 765 CE LYS A 55 0.327 21.194 -4.888 1.00 25.50 C ATOM 766 NZ LYS A 55 1.718 21.056 -5.405 1.00 31.00 N ATOM 0 H LYS A 55 2.376 22.035 -0.510 1.00 34.23 H new ATOM 0 HA LYS A 55 -0.184 21.947 0.688 1.00 12.15 H new ATOM 0 HB2 LYS A 55 -0.955 22.399 -1.634 1.00 55.53 H new ATOM 0 HB3 LYS A 55 0.328 23.476 -1.118 1.00 55.53 H new ATOM 0 HG2 LYS A 55 1.050 22.929 -3.245 1.00 73.02 H new ATOM 0 HG3 LYS A 55 1.915 21.739 -2.293 1.00 73.02 H new ATOM 0 HD2 LYS A 55 0.732 19.992 -3.157 1.00 73.41 H new ATOM 0 HD3 LYS A 55 -0.791 20.856 -3.087 1.00 73.41 H new ATOM 0 HE2 LYS A 55 -0.325 20.492 -5.408 1.00 25.50 H new ATOM 0 HE3 LYS A 55 -0.044 22.195 -5.107 1.00 25.50 H new ATOM 0 HZ1 LYS A 55 1.700 21.016 -6.444 1.00 31.00 H new ATOM 0 HZ2 LYS A 55 2.284 21.873 -5.100 1.00 31.00 H new ATOM 0 HZ3 LYS A 55 2.142 20.183 -5.032 1.00 31.00 H new ATOM 780 N TYR A 56 0.786 19.259 -0.838 1.00 74.15 N ATOM 781 CA TYR A 56 0.441 17.874 -1.138 1.00 42.42 C ATOM 782 C TYR A 56 0.779 16.963 0.037 1.00 32.25 C ATOM 783 O TYR A 56 0.846 15.741 -0.108 1.00 32.02 O ATOM 784 CB TYR A 56 1.178 17.403 -2.392 1.00 11.02 C ATOM 785 CG TYR A 56 0.257 16.932 -3.494 1.00 43.44 C ATOM 786 CD1 TYR A 56 -0.810 16.084 -3.221 1.00 4.03 C ATOM 787 CD2 TYR A 56 0.453 17.335 -4.810 1.00 70.22 C ATOM 788 CE1 TYR A 56 -1.653 15.651 -4.225 1.00 64.40 C ATOM 789 CE2 TYR A 56 -0.386 16.908 -5.821 1.00 0.33 C ATOM 790 CZ TYR A 56 -1.438 16.065 -5.524 1.00 52.22 C ATOM 791 OH TYR A 56 -2.275 15.636 -6.527 1.00 71.24 O ATOM 0 H TYR A 56 1.774 19.483 -0.956 1.00 74.15 H new ATOM 0 HA TYR A 56 -0.633 17.824 -1.316 1.00 42.42 H new ATOM 0 HB2 TYR A 56 1.794 18.219 -2.769 1.00 11.02 H new ATOM 0 HB3 TYR A 56 1.854 16.591 -2.123 1.00 11.02 H new ATOM 0 HD1 TYR A 56 -0.983 15.758 -2.206 1.00 4.03 H new ATOM 0 HD2 TYR A 56 1.276 17.994 -5.046 1.00 70.22 H new ATOM 0 HE1 TYR A 56 -2.477 14.991 -3.995 1.00 64.40 H new ATOM 0 HE2 TYR A 56 -0.220 17.232 -6.838 1.00 0.33 H new ATOM 0 HH TYR A 56 -1.986 16.020 -7.381 1.00 71.24 H new ATOM 801 N ARG A 57 0.990 17.565 1.204 1.00 65.21 N ATOM 802 CA ARG A 57 1.322 16.808 2.405 1.00 1.30 C ATOM 803 C ARG A 57 0.079 16.144 2.991 1.00 72.53 C ATOM 804 O ARG A 57 0.162 15.400 3.967 1.00 14.22 O ATOM 805 CB ARG A 57 1.963 17.724 3.448 1.00 10.44 C ATOM 806 CG ARG A 57 0.960 18.558 4.229 1.00 31.41 C ATOM 807 CD ARG A 57 0.780 18.033 5.644 1.00 31.14 C ATOM 808 NE ARG A 57 1.950 18.296 6.477 1.00 25.13 N ATOM 809 CZ ARG A 57 1.919 18.313 7.805 1.00 43.31 C ATOM 810 NH1 ARG A 57 0.782 18.082 8.448 1.00 3.22 N ATOM 811 NH2 ARG A 57 3.027 18.560 8.494 1.00 23.42 N ATOM 0 H ARG A 57 0.937 18.574 1.343 1.00 65.21 H new ATOM 0 HA ARG A 57 2.032 16.029 2.129 1.00 1.30 H new ATOM 0 HB2 ARG A 57 2.539 17.117 4.146 1.00 10.44 H new ATOM 0 HB3 ARG A 57 2.667 18.391 2.950 1.00 10.44 H new ATOM 0 HG2 ARG A 57 1.296 19.594 4.264 1.00 31.41 H new ATOM 0 HG3 ARG A 57 0.000 18.552 3.713 1.00 31.41 H new ATOM 0 HD2 ARG A 57 -0.097 18.497 6.094 1.00 31.14 H new ATOM 0 HD3 ARG A 57 0.592 16.960 5.612 1.00 31.14 H new ATOM 0 HE ARG A 57 2.841 18.477 6.014 1.00 25.13 H new ATOM 0 HH11 ARG A 57 -0.071 17.891 7.923 1.00 3.22 H new ATOM 0 HH12 ARG A 57 0.761 18.096 9.468 1.00 3.22 H new ATOM 0 HH21 ARG A 57 3.904 18.737 8.004 1.00 23.42 H new ATOM 0 HH22 ARG A 57 3.001 18.573 9.514 1.00 23.42 H new ATOM 825 N SER A 58 -1.073 16.420 2.386 1.00 74.04 N ATOM 826 CA SER A 58 -2.334 15.854 2.850 1.00 53.23 C ATOM 827 C SER A 58 -3.003 15.041 1.747 1.00 23.03 C ATOM 828 O SER A 58 -2.759 15.264 0.561 1.00 42.33 O ATOM 829 CB SER A 58 -3.275 16.966 3.321 1.00 44.23 C ATOM 830 OG SER A 58 -4.413 16.430 3.972 1.00 63.31 O ATOM 0 H SER A 58 -1.158 17.032 1.574 1.00 74.04 H new ATOM 0 HA SER A 58 -2.119 15.191 3.688 1.00 53.23 H new ATOM 0 HB2 SER A 58 -2.744 17.632 4.001 1.00 44.23 H new ATOM 0 HB3 SER A 58 -3.590 17.566 2.467 1.00 44.23 H new ATOM 0 HG SER A 58 -4.215 15.522 4.283 1.00 63.31 H new ATOM 836 N ILE A 59 -3.846 14.096 2.146 1.00 74.03 N ATOM 837 CA ILE A 59 -4.551 13.250 1.191 1.00 34.31 C ATOM 838 C ILE A 59 -6.043 13.191 1.505 1.00 20.21 C ATOM 839 O ILE A 59 -6.450 12.669 2.543 1.00 61.42 O ATOM 840 CB ILE A 59 -3.984 11.817 1.183 1.00 50.22 C ATOM 841 CG1 ILE A 59 -3.660 11.365 2.608 1.00 42.44 C ATOM 842 CG2 ILE A 59 -2.746 11.745 0.303 1.00 25.24 C ATOM 843 CD1 ILE A 59 -3.310 9.898 2.711 1.00 2.21 C ATOM 0 H ILE A 59 -4.058 13.896 3.124 1.00 74.03 H new ATOM 0 HA ILE A 59 -4.406 13.696 0.207 1.00 34.31 H new ATOM 0 HB ILE A 59 -4.738 11.145 0.773 1.00 50.22 H new ATOM 0 HG12 ILE A 59 -2.827 11.957 2.988 1.00 42.44 H new ATOM 0 HG13 ILE A 59 -4.516 11.572 3.250 1.00 42.44 H new ATOM 0 HG21 ILE A 59 -2.356 10.727 0.306 1.00 25.24 H new ATOM 0 HG22 ILE A 59 -3.007 12.030 -0.716 1.00 25.24 H new ATOM 0 HG23 ILE A 59 -1.987 12.426 0.687 1.00 25.24 H new ATOM 0 HD11 ILE A 59 -3.092 9.648 3.749 1.00 2.21 H new ATOM 0 HD12 ILE A 59 -4.150 9.298 2.362 1.00 2.21 H new ATOM 0 HD13 ILE A 59 -2.435 9.689 2.096 1.00 2.21 H new ATOM 855 N ARG A 60 -6.854 13.728 0.599 1.00 41.43 N ATOM 856 CA ARG A 60 -8.301 13.738 0.779 1.00 24.34 C ATOM 857 C ARG A 60 -8.889 12.352 0.530 1.00 23.23 C ATOM 858 O ARG A 60 -8.508 11.668 -0.421 1.00 4.23 O ATOM 859 CB ARG A 60 -8.947 14.754 -0.164 1.00 23.43 C ATOM 860 CG ARG A 60 -8.757 14.426 -1.636 1.00 31.03 C ATOM 861 CD ARG A 60 -8.206 15.616 -2.406 1.00 71.25 C ATOM 862 NE ARG A 60 -9.020 16.814 -2.215 1.00 61.05 N ATOM 863 CZ ARG A 60 -8.663 18.020 -2.640 1.00 5.23 C ATOM 864 NH1 ARG A 60 -7.512 18.189 -3.278 1.00 12.34 N ATOM 865 NH2 ARG A 60 -9.456 19.063 -2.428 1.00 64.00 N ATOM 0 H ARG A 60 -6.534 14.162 -0.267 1.00 41.43 H new ATOM 0 HA ARG A 60 -8.512 14.024 1.809 1.00 24.34 H new ATOM 0 HB2 ARG A 60 -10.014 14.810 0.052 1.00 23.43 H new ATOM 0 HB3 ARG A 60 -8.529 15.740 0.037 1.00 23.43 H new ATOM 0 HG2 ARG A 60 -8.077 13.580 -1.736 1.00 31.03 H new ATOM 0 HG3 ARG A 60 -9.710 14.122 -2.068 1.00 31.03 H new ATOM 0 HD2 ARG A 60 -7.185 15.816 -2.082 1.00 71.25 H new ATOM 0 HD3 ARG A 60 -8.162 15.373 -3.468 1.00 71.25 H new ATOM 0 HE ARG A 60 -9.911 16.719 -1.728 1.00 61.05 H new ATOM 0 HH11 ARG A 60 -6.899 17.391 -3.443 1.00 12.34 H new ATOM 0 HH12 ARG A 60 -7.241 19.117 -3.603 1.00 12.34 H new ATOM 0 HH21 ARG A 60 -10.342 18.939 -1.938 1.00 64.00 H new ATOM 0 HH22 ARG A 60 -9.180 19.989 -2.755 1.00 64.00 H new ATOM 879 N ILE A 61 -9.816 11.945 1.389 1.00 62.44 N ATOM 880 CA ILE A 61 -10.455 10.641 1.261 1.00 55.12 C ATOM 881 C ILE A 61 -11.863 10.658 1.848 1.00 51.51 C ATOM 882 O ILE A 61 -12.147 9.970 2.826 1.00 31.53 O ATOM 883 CB ILE A 61 -9.635 9.541 1.958 1.00 11.22 C ATOM 884 CG1 ILE A 61 -9.306 9.951 3.395 1.00 13.35 C ATOM 885 CG2 ILE A 61 -8.359 9.256 1.178 1.00 75.11 C ATOM 886 CD1 ILE A 61 -9.508 8.841 4.402 1.00 13.15 C ATOM 0 H ILE A 61 -10.142 12.499 2.181 1.00 62.44 H new ATOM 0 HA ILE A 61 -10.511 10.421 0.195 1.00 55.12 H new ATOM 0 HB ILE A 61 -10.231 8.629 1.988 1.00 11.22 H new ATOM 0 HG12 ILE A 61 -8.270 10.287 3.440 1.00 13.35 H new ATOM 0 HG13 ILE A 61 -9.929 10.801 3.673 1.00 13.35 H new ATOM 0 HG21 ILE A 61 -7.790 8.476 1.684 1.00 75.11 H new ATOM 0 HG22 ILE A 61 -8.614 8.924 0.172 1.00 75.11 H new ATOM 0 HG23 ILE A 61 -7.758 10.163 1.120 1.00 75.11 H new ATOM 0 HD11 ILE A 61 -9.256 9.203 5.399 1.00 13.15 H new ATOM 0 HD12 ILE A 61 -10.550 8.520 4.386 1.00 13.15 H new ATOM 0 HD13 ILE A 61 -8.865 7.998 4.149 1.00 13.15 H new ATOM 898 N GLY A 62 -12.740 11.452 1.243 1.00 51.34 N ATOM 899 CA GLY A 62 -14.109 11.546 1.719 1.00 4.21 C ATOM 900 C GLY A 62 -15.007 10.485 1.112 1.00 0.10 C ATOM 901 O GLY A 62 -16.133 10.285 1.562 1.00 34.44 O ATOM 0 H GLY A 62 -12.528 12.032 0.431 1.00 51.34 H new ATOM 0 HA2 GLY A 62 -14.121 11.450 2.805 1.00 4.21 H new ATOM 0 HA3 GLY A 62 -14.506 12.533 1.482 1.00 4.21 H new ATOM 905 N ASN A 63 -14.505 9.805 0.086 1.00 22.10 N ATOM 906 CA ASN A 63 -15.272 8.760 -0.584 1.00 65.41 C ATOM 907 C ASN A 63 -15.821 7.757 0.423 1.00 32.43 C ATOM 908 O ASN A 63 -15.070 7.160 1.195 1.00 33.23 O ATOM 909 CB ASN A 63 -14.397 8.040 -1.615 1.00 53.52 C ATOM 910 CG ASN A 63 -13.785 8.993 -2.622 1.00 55.32 C ATOM 911 OD1 ASN A 63 -14.422 9.957 -3.048 1.00 61.11 O ATOM 912 ND2 ASN A 63 -12.542 8.729 -3.007 1.00 45.10 N ATOM 0 H ASN A 63 -13.573 9.958 -0.299 1.00 22.10 H new ATOM 0 HA ASN A 63 -16.113 9.230 -1.094 1.00 65.41 H new ATOM 0 HB2 ASN A 63 -13.602 7.501 -1.099 1.00 53.52 H new ATOM 0 HB3 ASN A 63 -14.997 7.297 -2.140 1.00 53.52 H new ATOM 0 HD21 ASN A 63 -12.077 9.336 -3.682 1.00 45.10 H new ATOM 0 HD22 ASN A 63 -12.052 7.919 -2.628 1.00 45.10 H new ATOM 919 N THR A 64 -17.138 7.574 0.411 1.00 71.14 N ATOM 920 CA THR A 64 -17.791 6.644 1.322 1.00 3.31 C ATOM 921 C THR A 64 -17.190 5.247 1.205 1.00 54.54 C ATOM 922 O THR A 64 -17.239 4.459 2.150 1.00 4.23 O ATOM 923 CB THR A 64 -19.305 6.563 1.055 1.00 14.54 C ATOM 924 OG1 THR A 64 -19.660 7.436 -0.023 1.00 25.13 O ATOM 925 CG2 THR A 64 -20.095 6.943 2.300 1.00 54.14 C ATOM 0 H THR A 64 -17.774 8.059 -0.222 1.00 71.14 H new ATOM 0 HA THR A 64 -17.629 7.024 2.331 1.00 3.31 H new ATOM 0 HB THR A 64 -19.549 5.535 0.787 1.00 14.54 H new ATOM 0 HG1 THR A 64 -19.317 7.072 -0.866 1.00 25.13 H new ATOM 0 HG21 THR A 64 -21.162 6.879 2.088 1.00 54.14 H new ATOM 0 HG22 THR A 64 -19.845 6.260 3.112 1.00 54.14 H new ATOM 0 HG23 THR A 64 -19.844 7.963 2.593 1.00 54.14 H new ATOM 933 N ALA A 65 -16.625 4.947 0.040 1.00 53.24 N ATOM 934 CA ALA A 65 -16.014 3.647 -0.199 1.00 2.10 C ATOM 935 C ALA A 65 -14.875 3.386 0.782 1.00 3.51 C ATOM 936 O ALA A 65 -14.632 2.246 1.177 1.00 31.20 O ATOM 937 CB ALA A 65 -15.509 3.556 -1.632 1.00 12.42 C ATOM 0 H ALA A 65 -16.578 5.587 -0.753 1.00 53.24 H new ATOM 0 HA ALA A 65 -16.775 2.882 -0.044 1.00 2.10 H new ATOM 0 HB1 ALA A 65 -15.055 2.579 -1.796 1.00 12.42 H new ATOM 0 HB2 ALA A 65 -16.343 3.689 -2.321 1.00 12.42 H new ATOM 0 HB3 ALA A 65 -14.767 4.335 -1.806 1.00 12.42 H new ATOM 943 N PHE A 66 -14.180 4.450 1.170 1.00 73.31 N ATOM 944 CA PHE A 66 -13.065 4.336 2.104 1.00 34.42 C ATOM 945 C PHE A 66 -13.552 3.885 3.478 1.00 63.20 C ATOM 946 O PHE A 66 -12.953 3.010 4.104 1.00 41.22 O ATOM 947 CB PHE A 66 -12.333 5.673 2.222 1.00 41.53 C ATOM 948 CG PHE A 66 -11.392 5.740 3.391 1.00 42.21 C ATOM 949 CD1 PHE A 66 -11.842 6.144 4.638 1.00 53.31 C ATOM 950 CD2 PHE A 66 -10.057 5.401 3.243 1.00 30.32 C ATOM 951 CE1 PHE A 66 -10.979 6.206 5.716 1.00 63.21 C ATOM 952 CE2 PHE A 66 -9.189 5.460 4.316 1.00 34.13 C ATOM 953 CZ PHE A 66 -9.650 5.864 5.554 1.00 42.02 C ATOM 0 H PHE A 66 -14.369 5.401 0.853 1.00 73.31 H new ATOM 0 HA PHE A 66 -12.375 3.586 1.719 1.00 34.42 H new ATOM 0 HB2 PHE A 66 -11.773 5.854 1.304 1.00 41.53 H new ATOM 0 HB3 PHE A 66 -13.067 6.474 2.311 1.00 41.53 H new ATOM 0 HD1 PHE A 66 -12.880 6.414 4.769 1.00 53.31 H new ATOM 0 HD2 PHE A 66 -9.690 5.087 2.277 1.00 30.32 H new ATOM 0 HE1 PHE A 66 -11.343 6.521 6.683 1.00 63.21 H new ATOM 0 HE2 PHE A 66 -8.151 5.191 4.187 1.00 34.13 H new ATOM 0 HZ PHE A 66 -8.973 5.912 6.394 1.00 42.02 H new ATOM 963 N SER A 67 -14.641 4.490 3.941 1.00 1.35 N ATOM 964 CA SER A 67 -15.205 4.155 5.244 1.00 64.42 C ATOM 965 C SER A 67 -15.872 2.783 5.210 1.00 52.14 C ATOM 966 O SER A 67 -16.057 2.143 6.246 1.00 51.41 O ATOM 967 CB SER A 67 -16.221 5.218 5.672 1.00 4.44 C ATOM 968 OG SER A 67 -16.194 6.331 4.794 1.00 10.32 O ATOM 0 H SER A 67 -15.150 5.214 3.434 1.00 1.35 H new ATOM 0 HA SER A 67 -14.391 4.127 5.969 1.00 64.42 H new ATOM 0 HB2 SER A 67 -17.221 4.785 5.685 1.00 4.44 H new ATOM 0 HB3 SER A 67 -16.002 5.547 6.688 1.00 4.44 H new ATOM 0 HG SER A 67 -16.852 6.995 5.087 1.00 10.32 H new ATOM 974 N THR A 68 -16.231 2.336 4.010 1.00 13.24 N ATOM 975 CA THR A 68 -16.878 1.042 3.840 1.00 62.31 C ATOM 976 C THR A 68 -15.850 -0.079 3.746 1.00 65.41 C ATOM 977 O THR A 68 -16.023 -1.145 4.335 1.00 3.24 O ATOM 978 CB THR A 68 -17.766 1.018 2.581 1.00 42.51 C ATOM 979 OG1 THR A 68 -16.956 1.179 1.409 1.00 21.43 O ATOM 980 CG2 THR A 68 -18.811 2.121 2.635 1.00 62.32 C ATOM 0 H THR A 68 -16.084 2.852 3.142 1.00 13.24 H new ATOM 0 HA THR A 68 -17.503 0.884 4.719 1.00 62.31 H new ATOM 0 HB THR A 68 -18.278 0.056 2.541 1.00 42.51 H new ATOM 0 HG1 THR A 68 -16.147 1.684 1.637 1.00 21.43 H new ATOM 0 HG21 THR A 68 -19.426 2.084 1.736 1.00 62.32 H new ATOM 0 HG22 THR A 68 -19.443 1.981 3.512 1.00 62.32 H new ATOM 0 HG23 THR A 68 -18.315 3.090 2.696 1.00 62.32 H new ATOM 988 N ARG A 69 -14.779 0.169 2.997 1.00 34.31 N ATOM 989 CA ARG A 69 -13.723 -0.820 2.825 1.00 11.31 C ATOM 990 C ARG A 69 -12.352 -0.150 2.783 1.00 51.42 C ATOM 991 O ARG A 69 -11.792 0.076 1.710 1.00 72.22 O ATOM 992 CB ARG A 69 -13.950 -1.622 1.542 1.00 3.51 C ATOM 993 CG ARG A 69 -13.070 -2.857 1.432 1.00 34.03 C ATOM 994 CD ARG A 69 -11.838 -2.590 0.582 1.00 42.14 C ATOM 995 NE ARG A 69 -11.704 -3.555 -0.505 1.00 72.53 N ATOM 996 CZ ARG A 69 -11.429 -4.841 -0.318 1.00 23.34 C ATOM 997 NH1 ARG A 69 -11.260 -5.314 0.910 1.00 61.43 N ATOM 998 NH2 ARG A 69 -11.323 -5.657 -1.359 1.00 4.23 N ATOM 0 H ARG A 69 -14.621 1.046 2.501 1.00 34.31 H new ATOM 0 HA ARG A 69 -13.751 -1.497 3.679 1.00 11.31 H new ATOM 0 HB2 ARG A 69 -14.996 -1.926 1.494 1.00 3.51 H new ATOM 0 HB3 ARG A 69 -13.765 -0.977 0.683 1.00 3.51 H new ATOM 0 HG2 ARG A 69 -12.764 -3.177 2.428 1.00 34.03 H new ATOM 0 HG3 ARG A 69 -13.643 -3.676 0.997 1.00 34.03 H new ATOM 0 HD2 ARG A 69 -11.894 -1.583 0.168 1.00 42.14 H new ATOM 0 HD3 ARG A 69 -10.949 -2.627 1.211 1.00 42.14 H new ATOM 0 HE ARG A 69 -11.828 -3.223 -1.461 1.00 72.53 H new ATOM 0 HH11 ARG A 69 -11.341 -4.690 1.713 1.00 61.43 H new ATOM 0 HH12 ARG A 69 -11.049 -6.302 1.051 1.00 61.43 H new ATOM 0 HH21 ARG A 69 -11.453 -5.297 -2.304 1.00 4.23 H new ATOM 0 HH22 ARG A 69 -11.112 -6.644 -1.214 1.00 4.23 H new ATOM 1012 N LEU A 70 -11.817 0.165 3.958 1.00 2.11 N ATOM 1013 CA LEU A 70 -10.513 0.810 4.056 1.00 4.24 C ATOM 1014 C LEU A 70 -10.189 1.167 5.504 1.00 60.40 C ATOM 1015 O LEU A 70 -9.037 1.085 5.932 1.00 13.43 O ATOM 1016 CB LEU A 70 -10.477 2.069 3.188 1.00 34.42 C ATOM 1017 CG LEU A 70 -9.345 2.146 2.164 1.00 0.31 C ATOM 1018 CD1 LEU A 70 -9.820 2.832 0.893 1.00 3.15 C ATOM 1019 CD2 LEU A 70 -8.144 2.876 2.750 1.00 52.13 C ATOM 0 H LEU A 70 -12.266 -0.016 4.856 1.00 2.11 H new ATOM 0 HA LEU A 70 -9.761 0.108 3.697 1.00 4.24 H new ATOM 0 HB2 LEU A 70 -11.426 2.147 2.657 1.00 34.42 H new ATOM 0 HB3 LEU A 70 -10.406 2.936 3.844 1.00 34.42 H new ATOM 0 HG LEU A 70 -9.040 1.130 1.911 1.00 0.31 H new ATOM 0 HD11 LEU A 70 -9.000 2.877 0.176 1.00 3.15 H new ATOM 0 HD12 LEU A 70 -10.648 2.268 0.463 1.00 3.15 H new ATOM 0 HD13 LEU A 70 -10.153 3.843 1.128 1.00 3.15 H new ATOM 0 HD21 LEU A 70 -7.348 2.921 2.007 1.00 52.13 H new ATOM 0 HD22 LEU A 70 -8.435 3.888 3.032 1.00 52.13 H new ATOM 0 HD23 LEU A 70 -7.788 2.342 3.631 1.00 52.13 H new ATOM 1031 N LEU A 71 -11.213 1.561 6.253 1.00 35.21 N ATOM 1032 CA LEU A 71 -11.039 1.927 7.654 1.00 64.45 C ATOM 1033 C LEU A 71 -11.106 0.697 8.552 1.00 12.21 C ATOM 1034 O LEU A 71 -10.149 0.353 9.248 1.00 74.45 O ATOM 1035 CB LEU A 71 -12.109 2.938 8.074 1.00 44.44 C ATOM 1036 CG LEU A 71 -11.601 4.315 8.499 1.00 43.21 C ATOM 1037 CD1 LEU A 71 -12.738 5.324 8.513 1.00 14.14 C ATOM 1038 CD2 LEU A 71 -10.934 4.240 9.865 1.00 41.11 C ATOM 0 H LEU A 71 -12.172 1.635 5.914 1.00 35.21 H new ATOM 0 HA LEU A 71 -10.054 2.381 7.765 1.00 64.45 H new ATOM 0 HB2 LEU A 71 -12.802 3.069 7.243 1.00 44.44 H new ATOM 0 HB3 LEU A 71 -12.678 2.512 8.900 1.00 44.44 H new ATOM 0 HG LEU A 71 -10.859 4.646 7.773 1.00 43.21 H new ATOM 0 HD11 LEU A 71 -12.356 6.298 8.818 1.00 14.14 H new ATOM 0 HD12 LEU A 71 -13.170 5.400 7.515 1.00 14.14 H new ATOM 0 HD13 LEU A 71 -13.505 4.998 9.216 1.00 14.14 H new ATOM 0 HD21 LEU A 71 -10.578 5.230 10.151 1.00 41.11 H new ATOM 0 HD22 LEU A 71 -11.654 3.886 10.603 1.00 41.11 H new ATOM 0 HD23 LEU A 71 -10.091 3.550 9.821 1.00 41.11 H new ATOM 1050 N PRO A 72 -12.262 0.015 8.537 1.00 3.43 N ATOM 1051 CA PRO A 72 -12.479 -1.190 9.343 1.00 25.41 C ATOM 1052 C PRO A 72 -11.659 -2.376 8.845 1.00 31.25 C ATOM 1053 O PRO A 72 -11.628 -3.431 9.479 1.00 33.43 O ATOM 1054 CB PRO A 72 -13.976 -1.465 9.171 1.00 54.53 C ATOM 1055 CG PRO A 72 -14.329 -0.840 7.866 1.00 21.03 C ATOM 1056 CD PRO A 72 -13.443 0.368 7.732 1.00 20.01 C ATOM 0 HA PRO A 72 -12.173 -1.048 10.380 1.00 25.41 H new ATOM 0 HB2 PRO A 72 -14.184 -2.535 9.166 1.00 54.53 H new ATOM 0 HB3 PRO A 72 -14.554 -1.031 9.987 1.00 54.53 H new ATOM 0 HG2 PRO A 72 -14.167 -1.536 7.043 1.00 21.03 H new ATOM 0 HG3 PRO A 72 -15.381 -0.557 7.841 1.00 21.03 H new ATOM 0 HD2 PRO A 72 -13.178 0.559 6.692 1.00 20.01 H new ATOM 0 HD3 PRO A 72 -13.931 1.268 8.107 1.00 20.01 H new ATOM 1064 N VAL A 73 -10.997 -2.197 7.708 1.00 43.14 N ATOM 1065 CA VAL A 73 -10.175 -3.251 7.125 1.00 15.44 C ATOM 1066 C VAL A 73 -8.930 -3.505 7.969 1.00 54.31 C ATOM 1067 O VAL A 73 -8.263 -2.567 8.406 1.00 72.00 O ATOM 1068 CB VAL A 73 -9.747 -2.901 5.689 1.00 21.02 C ATOM 1069 CG1 VAL A 73 -8.731 -1.769 5.695 1.00 5.21 C ATOM 1070 CG2 VAL A 73 -9.186 -4.129 4.987 1.00 22.13 C ATOM 0 H VAL A 73 -11.013 -1.330 7.170 1.00 43.14 H new ATOM 0 HA VAL A 73 -10.786 -4.153 7.102 1.00 15.44 H new ATOM 0 HB VAL A 73 -10.625 -2.565 5.138 1.00 21.02 H new ATOM 0 HG11 VAL A 73 -8.440 -1.536 4.671 1.00 5.21 H new ATOM 0 HG12 VAL A 73 -9.173 -0.886 6.157 1.00 5.21 H new ATOM 0 HG13 VAL A 73 -7.851 -2.073 6.262 1.00 5.21 H new ATOM 0 HG21 VAL A 73 -8.888 -3.864 3.973 1.00 22.13 H new ATOM 0 HG22 VAL A 73 -8.319 -4.497 5.535 1.00 22.13 H new ATOM 0 HG23 VAL A 73 -9.949 -4.907 4.950 1.00 22.13 H new ATOM 1080 N ARG A 74 -8.623 -4.779 8.193 1.00 24.30 N ATOM 1081 CA ARG A 74 -7.458 -5.156 8.982 1.00 51.43 C ATOM 1082 C ARG A 74 -6.211 -5.242 8.107 1.00 72.12 C ATOM 1083 O ARG A 74 -6.075 -6.150 7.289 1.00 31.53 O ATOM 1084 CB ARG A 74 -7.699 -6.497 9.678 1.00 32.14 C ATOM 1085 CG ARG A 74 -7.006 -6.619 11.024 1.00 15.54 C ATOM 1086 CD ARG A 74 -5.640 -7.274 10.893 1.00 74.40 C ATOM 1087 NE ARG A 74 -4.717 -6.832 11.934 1.00 74.23 N ATOM 1088 CZ ARG A 74 -4.771 -7.255 13.192 1.00 2.33 C ATOM 1089 NH1 ARG A 74 -5.698 -8.128 13.562 1.00 51.14 N ATOM 1090 NH2 ARG A 74 -3.895 -6.805 14.082 1.00 21.34 N ATOM 0 H ARG A 74 -9.166 -5.567 7.839 1.00 24.30 H new ATOM 0 HA ARG A 74 -7.298 -4.386 9.736 1.00 51.43 H new ATOM 0 HB2 ARG A 74 -8.771 -6.637 9.817 1.00 32.14 H new ATOM 0 HB3 ARG A 74 -7.355 -7.301 9.028 1.00 32.14 H new ATOM 0 HG2 ARG A 74 -6.895 -5.630 11.468 1.00 15.54 H new ATOM 0 HG3 ARG A 74 -7.627 -7.204 11.702 1.00 15.54 H new ATOM 0 HD2 ARG A 74 -5.751 -8.357 10.944 1.00 74.40 H new ATOM 0 HD3 ARG A 74 -5.220 -7.042 9.914 1.00 74.40 H new ATOM 0 HE ARG A 74 -3.991 -6.162 11.682 1.00 74.23 H new ATOM 0 HH11 ARG A 74 -6.372 -8.476 12.880 1.00 51.14 H new ATOM 0 HH12 ARG A 74 -5.737 -8.451 14.529 1.00 51.14 H new ATOM 0 HH21 ARG A 74 -3.180 -6.134 13.800 1.00 21.34 H new ATOM 0 HH22 ARG A 74 -3.937 -7.130 15.048 1.00 21.34 H new ATOM 1104 N GLY A 75 -5.302 -4.288 8.284 1.00 41.14 N ATOM 1105 CA GLY A 75 -4.079 -4.273 7.503 1.00 10.23 C ATOM 1106 C GLY A 75 -3.776 -2.905 6.927 1.00 65.41 C ATOM 1107 O GLY A 75 -2.628 -2.460 6.941 1.00 62.32 O ATOM 0 H GLY A 75 -5.391 -3.525 8.955 1.00 41.14 H new ATOM 0 HA2 GLY A 75 -3.247 -4.592 8.131 1.00 10.23 H new ATOM 0 HA3 GLY A 75 -4.161 -4.996 6.691 1.00 10.23 H new ATOM 1111 N ALA A 76 -4.805 -2.238 6.417 1.00 23.53 N ATOM 1112 CA ALA A 76 -4.642 -0.913 5.832 1.00 73.14 C ATOM 1113 C ALA A 76 -4.304 0.121 6.902 1.00 71.21 C ATOM 1114 O ALA A 76 -3.356 0.892 6.757 1.00 45.53 O ATOM 1115 CB ALA A 76 -5.905 -0.507 5.084 1.00 4.44 C ATOM 0 H ALA A 76 -5.761 -2.593 6.397 1.00 23.53 H new ATOM 0 HA ALA A 76 -3.812 -0.954 5.127 1.00 73.14 H new ATOM 0 HB1 ALA A 76 -5.769 0.485 4.652 1.00 4.44 H new ATOM 0 HB2 ALA A 76 -6.103 -1.225 4.288 1.00 4.44 H new ATOM 0 HB3 ALA A 76 -6.748 -0.489 5.775 1.00 4.44 H new ATOM 1121 N VAL A 77 -5.087 0.133 7.977 1.00 21.23 N ATOM 1122 CA VAL A 77 -4.871 1.071 9.070 1.00 13.33 C ATOM 1123 C VAL A 77 -3.471 0.918 9.656 1.00 53.41 C ATOM 1124 O VAL A 77 -2.755 1.902 9.840 1.00 54.03 O ATOM 1125 CB VAL A 77 -5.908 0.875 10.191 1.00 1.12 C ATOM 1126 CG1 VAL A 77 -5.656 1.853 11.329 1.00 23.51 C ATOM 1127 CG2 VAL A 77 -7.319 1.032 9.645 1.00 24.23 C ATOM 0 H VAL A 77 -5.877 -0.498 8.113 1.00 21.23 H new ATOM 0 HA VAL A 77 -4.981 2.073 8.654 1.00 13.33 H new ATOM 0 HB VAL A 77 -5.806 -0.137 10.584 1.00 1.12 H new ATOM 0 HG11 VAL A 77 -6.399 1.699 12.112 1.00 23.51 H new ATOM 0 HG12 VAL A 77 -4.659 1.687 11.737 1.00 23.51 H new ATOM 0 HG13 VAL A 77 -5.730 2.874 10.954 1.00 23.51 H new ATOM 0 HG21 VAL A 77 -8.039 0.890 10.451 1.00 24.23 H new ATOM 0 HG22 VAL A 77 -7.437 2.031 9.224 1.00 24.23 H new ATOM 0 HG23 VAL A 77 -7.493 0.288 8.868 1.00 24.23 H new ATOM 1137 N GLU A 78 -3.087 -0.321 9.944 1.00 63.24 N ATOM 1138 CA GLU A 78 -1.772 -0.601 10.509 1.00 14.33 C ATOM 1139 C GLU A 78 -0.671 -0.305 9.495 1.00 51.45 C ATOM 1140 O GLU A 78 0.444 0.065 9.866 1.00 44.23 O ATOM 1141 CB GLU A 78 -1.687 -2.061 10.960 1.00 2.31 C ATOM 1142 CG GLU A 78 -2.583 -2.386 12.144 1.00 34.22 C ATOM 1143 CD GLU A 78 -1.826 -2.411 13.457 1.00 14.42 C ATOM 1144 OE1 GLU A 78 -1.200 -3.446 13.761 1.00 13.55 O ATOM 1145 OE2 GLU A 78 -1.862 -1.395 14.182 1.00 44.24 O ATOM 0 H GLU A 78 -3.667 -1.147 9.796 1.00 63.24 H new ATOM 0 HA GLU A 78 -1.630 0.047 11.374 1.00 14.33 H new ATOM 0 HB2 GLU A 78 -1.955 -2.707 10.124 1.00 2.31 H new ATOM 0 HB3 GLU A 78 -0.655 -2.292 11.222 1.00 2.31 H new ATOM 0 HG2 GLU A 78 -3.383 -1.648 12.204 1.00 34.22 H new ATOM 0 HG3 GLU A 78 -3.055 -3.355 11.982 1.00 34.22 H new ATOM 1152 N CYS A 79 -0.991 -0.471 8.217 1.00 35.13 N ATOM 1153 CA CYS A 79 -0.029 -0.223 7.149 1.00 11.22 C ATOM 1154 C CYS A 79 0.376 1.247 7.112 1.00 12.23 C ATOM 1155 O CYS A 79 1.563 1.575 7.090 1.00 62.12 O ATOM 1156 CB CYS A 79 -0.616 -0.638 5.800 1.00 22.15 C ATOM 1157 SG CYS A 79 0.438 -0.243 4.384 1.00 21.41 S ATOM 0 H CYS A 79 -1.909 -0.776 7.895 1.00 35.13 H new ATOM 0 HA CYS A 79 0.861 -0.820 7.349 1.00 11.22 H new ATOM 0 HB2 CYS A 79 -0.803 -1.712 5.812 1.00 22.15 H new ATOM 0 HB3 CYS A 79 -1.581 -0.148 5.669 1.00 22.15 H new ATOM 0 HG CYS A 79 0.094 -0.978 3.369 1.00 21.41 H new ATOM 1163 N LEU A 80 -0.618 2.128 7.104 1.00 35.42 N ATOM 1164 CA LEU A 80 -0.367 3.565 7.069 1.00 63.30 C ATOM 1165 C LEU A 80 0.318 4.031 8.350 1.00 32.55 C ATOM 1166 O LEU A 80 1.297 4.775 8.308 1.00 63.45 O ATOM 1167 CB LEU A 80 -1.678 4.328 6.871 1.00 21.54 C ATOM 1168 CG LEU A 80 -2.597 3.807 5.766 1.00 44.14 C ATOM 1169 CD1 LEU A 80 -4.017 3.643 6.284 1.00 53.34 C ATOM 1170 CD2 LEU A 80 -2.570 4.744 4.566 1.00 23.43 C ATOM 0 H LEU A 80 -1.605 1.873 7.121 1.00 35.42 H new ATOM 0 HA LEU A 80 0.296 3.772 6.229 1.00 63.30 H new ATOM 0 HB2 LEU A 80 -2.229 4.314 7.811 1.00 21.54 H new ATOM 0 HB3 LEU A 80 -1.440 5.370 6.657 1.00 21.54 H new ATOM 0 HG LEU A 80 -2.234 2.829 5.449 1.00 44.14 H new ATOM 0 HD11 LEU A 80 -4.656 3.271 5.483 1.00 53.34 H new ATOM 0 HD12 LEU A 80 -4.023 2.934 7.111 1.00 53.34 H new ATOM 0 HD13 LEU A 80 -4.392 4.606 6.630 1.00 53.34 H new ATOM 0 HD21 LEU A 80 -3.230 4.359 3.788 1.00 23.43 H new ATOM 0 HD22 LEU A 80 -2.908 5.735 4.870 1.00 23.43 H new ATOM 0 HD23 LEU A 80 -1.553 4.811 4.179 1.00 23.43 H new ATOM 1182 N PHE A 81 -0.203 3.583 9.488 1.00 53.43 N ATOM 1183 CA PHE A 81 0.359 3.953 10.782 1.00 35.41 C ATOM 1184 C PHE A 81 1.801 3.470 10.907 1.00 40.41 C ATOM 1185 O PHE A 81 2.669 4.195 11.391 1.00 74.02 O ATOM 1186 CB PHE A 81 -0.486 3.369 11.915 1.00 34.13 C ATOM 1187 CG PHE A 81 -1.531 4.316 12.435 1.00 64.42 C ATOM 1188 CD1 PHE A 81 -2.705 4.527 11.730 1.00 13.33 C ATOM 1189 CD2 PHE A 81 -1.336 4.996 13.627 1.00 62.44 C ATOM 1190 CE1 PHE A 81 -3.668 5.398 12.206 1.00 1.15 C ATOM 1191 CE2 PHE A 81 -2.295 5.866 14.107 1.00 75.13 C ATOM 1192 CZ PHE A 81 -3.461 6.069 13.395 1.00 30.02 C ATOM 0 H PHE A 81 -1.012 2.964 9.540 1.00 53.43 H new ATOM 0 HA PHE A 81 0.351 5.040 10.856 1.00 35.41 H new ATOM 0 HB2 PHE A 81 -0.974 2.461 11.562 1.00 34.13 H new ATOM 0 HB3 PHE A 81 0.171 3.080 12.735 1.00 34.13 H new ATOM 0 HD1 PHE A 81 -2.870 4.006 10.799 1.00 13.33 H new ATOM 0 HD2 PHE A 81 -0.425 4.844 14.186 1.00 62.44 H new ATOM 0 HE1 PHE A 81 -4.580 5.553 11.649 1.00 1.15 H new ATOM 0 HE2 PHE A 81 -2.133 6.388 15.039 1.00 75.13 H new ATOM 0 HZ PHE A 81 -4.210 6.752 13.768 1.00 30.02 H new ATOM 1202 N GLU A 82 2.047 2.240 10.468 1.00 30.13 N ATOM 1203 CA GLU A 82 3.383 1.660 10.533 1.00 71.24 C ATOM 1204 C GLU A 82 4.317 2.332 9.530 1.00 44.12 C ATOM 1205 O GLU A 82 5.458 2.661 9.854 1.00 63.44 O ATOM 1206 CB GLU A 82 3.322 0.155 10.260 1.00 4.31 C ATOM 1207 CG GLU A 82 2.777 -0.654 11.426 1.00 54.42 C ATOM 1208 CD GLU A 82 3.858 -1.419 12.162 1.00 41.41 C ATOM 1209 OE1 GLU A 82 4.590 -0.795 12.958 1.00 11.34 O ATOM 1210 OE2 GLU A 82 3.973 -2.643 11.942 1.00 70.23 O ATOM 0 H GLU A 82 1.339 1.626 10.064 1.00 30.13 H new ATOM 0 HA GLU A 82 3.776 1.825 11.536 1.00 71.24 H new ATOM 0 HB2 GLU A 82 2.699 -0.022 9.383 1.00 4.31 H new ATOM 0 HB3 GLU A 82 4.323 -0.202 10.017 1.00 4.31 H new ATOM 0 HG2 GLU A 82 2.272 0.015 12.123 1.00 54.42 H new ATOM 0 HG3 GLU A 82 2.028 -1.355 11.058 1.00 54.42 H new ATOM 1217 N MET A 83 3.825 2.531 8.313 1.00 31.30 N ATOM 1218 CA MET A 83 4.614 3.164 7.263 1.00 53.42 C ATOM 1219 C MET A 83 4.969 4.599 7.641 1.00 4.21 C ATOM 1220 O MET A 83 6.131 5.001 7.567 1.00 74.24 O ATOM 1221 CB MET A 83 3.848 3.149 5.939 1.00 62.22 C ATOM 1222 CG MET A 83 4.727 3.406 4.725 1.00 14.03 C ATOM 1223 SD MET A 83 4.365 2.291 3.356 1.00 73.25 S ATOM 1224 CE MET A 83 4.679 0.703 4.120 1.00 55.14 C ATOM 0 H MET A 83 2.883 2.263 8.029 1.00 31.30 H new ATOM 0 HA MET A 83 5.538 2.597 7.146 1.00 53.42 H new ATOM 0 HB2 MET A 83 3.357 2.183 5.824 1.00 62.22 H new ATOM 0 HB3 MET A 83 3.062 3.904 5.975 1.00 62.22 H new ATOM 0 HG2 MET A 83 4.592 4.436 4.395 1.00 14.03 H new ATOM 0 HG3 MET A 83 5.774 3.297 5.010 1.00 14.03 H new ATOM 0 HE1 MET A 83 4.532 -0.089 3.386 1.00 55.14 H new ATOM 0 HE2 MET A 83 5.705 0.672 4.487 1.00 55.14 H new ATOM 0 HE3 MET A 83 3.991 0.558 4.953 1.00 55.14 H new ATOM 1234 N GLY A 84 3.963 5.367 8.044 1.00 15.12 N ATOM 1235 CA GLY A 84 4.190 6.748 8.428 1.00 34.42 C ATOM 1236 C GLY A 84 3.086 7.672 7.951 1.00 3.42 C ATOM 1237 O GLY A 84 3.313 8.539 7.108 1.00 23.42 O ATOM 0 H GLY A 84 2.993 5.058 8.112 1.00 15.12 H new ATOM 0 HA2 GLY A 84 4.269 6.812 9.513 1.00 34.42 H new ATOM 0 HA3 GLY A 84 5.143 7.084 8.019 1.00 34.42 H new ATOM 1241 N PHE A 85 1.887 7.485 8.492 1.00 72.03 N ATOM 1242 CA PHE A 85 0.742 8.307 8.115 1.00 32.02 C ATOM 1243 C PHE A 85 -0.073 8.699 9.343 1.00 51.41 C ATOM 1244 O PHE A 85 0.263 8.331 10.468 1.00 11.12 O ATOM 1245 CB PHE A 85 -0.145 7.556 7.120 1.00 44.43 C ATOM 1246 CG PHE A 85 -0.026 8.062 5.710 1.00 55.03 C ATOM 1247 CD1 PHE A 85 -0.496 9.321 5.371 1.00 20.20 C ATOM 1248 CD2 PHE A 85 0.556 7.281 4.726 1.00 11.41 C ATOM 1249 CE1 PHE A 85 -0.387 9.790 4.075 1.00 75.25 C ATOM 1250 CE2 PHE A 85 0.667 7.745 3.429 1.00 44.31 C ATOM 1251 CZ PHE A 85 0.194 9.001 3.103 1.00 73.34 C ATOM 0 H PHE A 85 1.682 6.772 9.192 1.00 72.03 H new ATOM 0 HA PHE A 85 1.117 9.216 7.644 1.00 32.02 H new ATOM 0 HB2 PHE A 85 0.115 6.498 7.141 1.00 44.43 H new ATOM 0 HB3 PHE A 85 -1.184 7.636 7.440 1.00 44.43 H new ATOM 0 HD1 PHE A 85 -0.952 9.942 6.127 1.00 20.20 H new ATOM 0 HD2 PHE A 85 0.927 6.298 4.975 1.00 11.41 H new ATOM 0 HE1 PHE A 85 -0.756 10.773 3.823 1.00 75.25 H new ATOM 0 HE2 PHE A 85 1.123 7.126 2.671 1.00 44.31 H new ATOM 0 HZ PHE A 85 0.279 9.365 2.090 1.00 73.34 H new ATOM 1261 N GLU A 86 -1.146 9.450 9.119 1.00 40.24 N ATOM 1262 CA GLU A 86 -2.008 9.897 10.207 1.00 23.33 C ATOM 1263 C GLU A 86 -3.478 9.806 9.808 1.00 35.00 C ATOM 1264 O GLU A 86 -3.935 10.521 8.917 1.00 70.32 O ATOM 1265 CB GLU A 86 -1.663 11.333 10.606 1.00 32.31 C ATOM 1266 CG GLU A 86 -2.547 11.886 11.713 1.00 25.32 C ATOM 1267 CD GLU A 86 -1.892 13.028 12.465 1.00 61.31 C ATOM 1268 OE1 GLU A 86 -0.927 13.614 11.930 1.00 42.32 O ATOM 1269 OE2 GLU A 86 -2.343 13.335 13.589 1.00 64.42 O ATOM 0 H GLU A 86 -1.440 9.762 8.193 1.00 40.24 H new ATOM 0 HA GLU A 86 -1.840 9.242 11.062 1.00 23.33 H new ATOM 0 HB2 GLU A 86 -0.623 11.371 10.930 1.00 32.31 H new ATOM 0 HB3 GLU A 86 -1.748 11.975 9.729 1.00 32.31 H new ATOM 0 HG2 GLU A 86 -3.488 12.230 11.284 1.00 25.32 H new ATOM 0 HG3 GLU A 86 -2.790 11.086 12.413 1.00 25.32 H new ATOM 1276 N GLU A 87 -4.214 8.922 10.475 1.00 22.23 N ATOM 1277 CA GLU A 87 -5.631 8.737 10.189 1.00 14.32 C ATOM 1278 C GLU A 87 -6.444 9.934 10.672 1.00 34.03 C ATOM 1279 O GLU A 87 -6.490 10.226 11.868 1.00 21.22 O ATOM 1280 CB GLU A 87 -6.145 7.456 10.851 1.00 40.25 C ATOM 1281 CG GLU A 87 -7.654 7.299 10.781 1.00 72.50 C ATOM 1282 CD GLU A 87 -8.330 7.550 12.117 1.00 64.33 C ATOM 1283 OE1 GLU A 87 -8.156 6.723 13.035 1.00 10.33 O ATOM 1284 OE2 GLU A 87 -9.033 8.574 12.241 1.00 50.24 O ATOM 0 H GLU A 87 -3.852 8.323 11.217 1.00 22.23 H new ATOM 0 HA GLU A 87 -5.749 8.652 9.109 1.00 14.32 H new ATOM 0 HB2 GLU A 87 -5.676 6.596 10.372 1.00 40.25 H new ATOM 0 HB3 GLU A 87 -5.835 7.447 11.896 1.00 40.25 H new ATOM 0 HG2 GLU A 87 -8.054 7.991 10.040 1.00 72.50 H new ATOM 0 HG3 GLU A 87 -7.895 6.292 10.439 1.00 72.50 H new ATOM 1291 N GLY A 88 -7.085 10.625 9.735 1.00 25.41 N ATOM 1292 CA GLY A 88 -7.887 11.783 10.084 1.00 43.21 C ATOM 1293 C GLY A 88 -9.370 11.473 10.113 1.00 73.14 C ATOM 1294 O GLY A 88 -9.767 10.310 10.153 1.00 24.54 O ATOM 0 H GLY A 88 -7.063 10.403 8.740 1.00 25.41 H new ATOM 0 HA2 GLY A 88 -7.577 12.155 11.061 1.00 43.21 H new ATOM 0 HA3 GLY A 88 -7.700 12.581 9.365 1.00 43.21 H new ATOM 1298 N GLU A 89 -10.193 12.519 10.097 1.00 25.43 N ATOM 1299 CA GLU A 89 -11.640 12.351 10.124 1.00 62.42 C ATOM 1300 C GLU A 89 -12.204 12.260 8.708 1.00 50.22 C ATOM 1301 O GLU A 89 -13.023 11.389 8.407 1.00 44.34 O ATOM 1302 CB GLU A 89 -12.296 13.512 10.872 1.00 52.45 C ATOM 1303 CG GLU A 89 -12.986 13.095 12.159 1.00 15.23 C ATOM 1304 CD GLU A 89 -13.771 14.227 12.795 1.00 41.10 C ATOM 1305 OE1 GLU A 89 -13.988 15.254 12.117 1.00 23.05 O ATOM 1306 OE2 GLU A 89 -14.166 14.087 13.972 1.00 45.30 O ATOM 0 H GLU A 89 -9.881 13.490 10.066 1.00 25.43 H new ATOM 0 HA GLU A 89 -11.862 11.420 10.646 1.00 62.42 H new ATOM 0 HB2 GLU A 89 -11.537 14.260 11.102 1.00 52.45 H new ATOM 0 HB3 GLU A 89 -13.025 13.989 10.217 1.00 52.45 H new ATOM 0 HG2 GLU A 89 -13.659 12.263 11.953 1.00 15.23 H new ATOM 0 HG3 GLU A 89 -12.239 12.734 12.866 1.00 15.23 H new ATOM 1313 N THR A 90 -11.762 13.167 7.842 1.00 65.43 N ATOM 1314 CA THR A 90 -12.222 13.191 6.459 1.00 15.02 C ATOM 1315 C THR A 90 -11.068 12.962 5.492 1.00 42.14 C ATOM 1316 O THR A 90 -11.271 12.523 4.359 1.00 31.44 O ATOM 1317 CB THR A 90 -12.905 14.529 6.118 1.00 1.14 C ATOM 1318 OG1 THR A 90 -13.226 14.574 4.724 1.00 3.20 O ATOM 1319 CG2 THR A 90 -12.005 15.702 6.474 1.00 54.21 C ATOM 0 H THR A 90 -11.086 13.895 8.074 1.00 65.43 H new ATOM 0 HA THR A 90 -12.947 12.384 6.353 1.00 15.02 H new ATOM 0 HB THR A 90 -13.821 14.603 6.704 1.00 1.14 H new ATOM 0 HG1 THR A 90 -13.661 15.427 4.516 1.00 3.20 H new ATOM 0 HG21 THR A 90 -12.509 16.636 6.224 1.00 54.21 H new ATOM 0 HG22 THR A 90 -11.786 15.682 7.542 1.00 54.21 H new ATOM 0 HG23 THR A 90 -11.074 15.630 5.912 1.00 54.21 H new ATOM 1327 N HIS A 91 -9.854 13.262 5.942 1.00 13.41 N ATOM 1328 CA HIS A 91 -8.666 13.087 5.115 1.00 23.01 C ATOM 1329 C HIS A 91 -7.466 12.676 5.966 1.00 75.14 C ATOM 1330 O HIS A 91 -7.468 12.852 7.186 1.00 50.35 O ATOM 1331 CB HIS A 91 -8.349 14.377 4.359 1.00 34.30 C ATOM 1332 CG HIS A 91 -8.195 15.572 5.251 1.00 4.02 C ATOM 1333 ND1 HIS A 91 -8.156 15.483 6.626 1.00 64.02 N ATOM 1334 CD2 HIS A 91 -8.066 16.886 4.954 1.00 14.44 C ATOM 1335 CE1 HIS A 91 -8.013 16.693 7.139 1.00 63.44 C ATOM 1336 NE2 HIS A 91 -7.955 17.562 6.145 1.00 14.13 N ATOM 0 H HIS A 91 -9.667 13.628 6.876 1.00 13.41 H new ATOM 0 HA HIS A 91 -8.870 12.293 4.396 1.00 23.01 H new ATOM 0 HB2 HIS A 91 -7.430 14.238 3.789 1.00 34.30 H new ATOM 0 HB3 HIS A 91 -9.144 14.571 3.639 1.00 34.30 H new ATOM 0 HD1 HIS A 91 -8.226 14.619 7.163 1.00 64.02 H new ATOM 0 HD2 HIS A 91 -8.053 17.322 3.966 1.00 14.44 H new ATOM 0 HE1 HIS A 91 -7.954 16.931 8.191 1.00 63.44 H new ATOM 1344 N LEU A 92 -6.447 12.126 5.317 1.00 20.10 N ATOM 1345 CA LEU A 92 -5.243 11.689 6.013 1.00 20.23 C ATOM 1346 C LEU A 92 -4.115 12.701 5.839 1.00 0.22 C ATOM 1347 O LEU A 92 -3.964 13.301 4.774 1.00 33.43 O ATOM 1348 CB LEU A 92 -4.798 10.319 5.495 1.00 23.23 C ATOM 1349 CG LEU A 92 -5.197 9.117 6.351 1.00 62.42 C ATOM 1350 CD1 LEU A 92 -6.415 8.421 5.759 1.00 42.30 C ATOM 1351 CD2 LEU A 92 -4.035 8.143 6.477 1.00 41.42 C ATOM 0 H LEU A 92 -6.430 11.972 4.309 1.00 20.10 H new ATOM 0 HA LEU A 92 -5.476 11.611 7.075 1.00 20.23 H new ATOM 0 HB2 LEU A 92 -5.209 10.180 4.495 1.00 23.23 H new ATOM 0 HB3 LEU A 92 -3.713 10.325 5.396 1.00 23.23 H new ATOM 0 HG LEU A 92 -5.456 9.475 7.348 1.00 62.42 H new ATOM 0 HD11 LEU A 92 -6.685 7.568 6.381 1.00 42.30 H new ATOM 0 HD12 LEU A 92 -7.250 9.120 5.720 1.00 42.30 H new ATOM 0 HD13 LEU A 92 -6.183 8.076 4.751 1.00 42.30 H new ATOM 0 HD21 LEU A 92 -4.337 7.294 7.090 1.00 41.42 H new ATOM 0 HD22 LEU A 92 -3.746 7.792 5.487 1.00 41.42 H new ATOM 0 HD23 LEU A 92 -3.188 8.645 6.945 1.00 41.42 H new ATOM 1363 N ILE A 93 -3.325 12.886 6.890 1.00 4.13 N ATOM 1364 CA ILE A 93 -2.208 13.823 6.852 1.00 11.13 C ATOM 1365 C ILE A 93 -0.873 13.087 6.828 1.00 60.33 C ATOM 1366 O ILE A 93 -0.700 12.070 7.500 1.00 12.12 O ATOM 1367 CB ILE A 93 -2.234 14.778 8.062 1.00 63.54 C ATOM 1368 CG1 ILE A 93 -3.370 15.790 7.915 1.00 73.14 C ATOM 1369 CG2 ILE A 93 -0.897 15.490 8.200 1.00 62.13 C ATOM 1370 CD1 ILE A 93 -4.743 15.195 8.141 1.00 30.23 C ATOM 0 H ILE A 93 -3.437 12.400 7.779 1.00 4.13 H new ATOM 0 HA ILE A 93 -2.315 14.405 5.937 1.00 11.13 H new ATOM 0 HB ILE A 93 -2.409 14.194 8.966 1.00 63.54 H new ATOM 0 HG12 ILE A 93 -3.215 16.604 8.623 1.00 73.14 H new ATOM 0 HG13 ILE A 93 -3.331 16.225 6.916 1.00 73.14 H new ATOM 0 HG21 ILE A 93 -0.929 16.161 9.058 1.00 62.13 H new ATOM 0 HG22 ILE A 93 -0.106 14.754 8.344 1.00 62.13 H new ATOM 0 HG23 ILE A 93 -0.696 16.066 7.296 1.00 62.13 H new ATOM 0 HD11 ILE A 93 -5.500 15.970 8.021 1.00 30.23 H new ATOM 0 HD12 ILE A 93 -4.919 14.400 7.416 1.00 30.23 H new ATOM 0 HD13 ILE A 93 -4.800 14.785 9.149 1.00 30.23 H new ATOM 1382 N PHE A 94 0.069 13.608 6.049 1.00 51.15 N ATOM 1383 CA PHE A 94 1.389 13.002 5.936 1.00 0.53 C ATOM 1384 C PHE A 94 2.349 13.593 6.965 1.00 14.41 C ATOM 1385 O PHE A 94 2.647 14.788 6.957 1.00 4.45 O ATOM 1386 CB PHE A 94 1.949 13.203 4.526 1.00 73.13 C ATOM 1387 CG PHE A 94 3.053 12.247 4.177 1.00 2.42 C ATOM 1388 CD1 PHE A 94 4.331 12.429 4.683 1.00 64.21 C ATOM 1389 CD2 PHE A 94 2.815 11.165 3.345 1.00 41.02 C ATOM 1390 CE1 PHE A 94 5.349 11.552 4.364 1.00 64.40 C ATOM 1391 CE2 PHE A 94 3.830 10.285 3.022 1.00 22.42 C ATOM 1392 CZ PHE A 94 5.099 10.477 3.532 1.00 21.31 C ATOM 0 H PHE A 94 -0.058 14.449 5.486 1.00 51.15 H new ATOM 0 HA PHE A 94 1.288 11.934 6.130 1.00 0.53 H new ATOM 0 HB2 PHE A 94 1.141 13.091 3.803 1.00 73.13 H new ATOM 0 HB3 PHE A 94 2.320 14.224 4.433 1.00 73.13 H new ATOM 0 HD1 PHE A 94 4.533 13.267 5.334 1.00 64.21 H new ATOM 0 HD2 PHE A 94 1.825 11.008 2.944 1.00 41.02 H new ATOM 0 HE1 PHE A 94 6.340 11.706 4.764 1.00 64.40 H new ATOM 0 HE2 PHE A 94 3.631 9.447 2.371 1.00 22.42 H new ATOM 0 HZ PHE A 94 5.893 9.789 3.282 1.00 21.31 H new ATOM 1402 N PRO A 95 2.845 12.738 7.871 1.00 54.30 N ATOM 1403 CA PRO A 95 3.778 13.154 8.924 1.00 32.41 C ATOM 1404 C PRO A 95 5.151 13.517 8.371 1.00 24.54 C ATOM 1405 O PRO A 95 5.711 12.791 7.549 1.00 5.40 O ATOM 1406 CB PRO A 95 3.872 11.917 9.823 1.00 42.22 C ATOM 1407 CG PRO A 95 3.535 10.774 8.929 1.00 4.40 C ATOM 1408 CD PRO A 95 2.534 11.302 7.940 1.00 32.43 C ATOM 0 HA PRO A 95 3.435 14.049 9.443 1.00 32.41 H new ATOM 0 HB2 PRO A 95 4.871 11.809 10.245 1.00 42.22 H new ATOM 0 HB3 PRO A 95 3.178 11.983 10.661 1.00 42.22 H new ATOM 0 HG2 PRO A 95 4.424 10.400 8.422 1.00 4.40 H new ATOM 0 HG3 PRO A 95 3.120 9.943 9.499 1.00 4.40 H new ATOM 0 HD2 PRO A 95 2.639 10.821 6.967 1.00 32.43 H new ATOM 0 HD3 PRO A 95 1.511 11.128 8.273 1.00 32.43 H new ATOM 1416 N LYS A 96 5.689 14.642 8.827 1.00 22.14 N ATOM 1417 CA LYS A 96 6.999 15.100 8.380 1.00 70.25 C ATOM 1418 C LYS A 96 8.097 14.143 8.836 1.00 40.42 C ATOM 1419 O LYS A 96 9.226 14.199 8.349 1.00 31.41 O ATOM 1420 CB LYS A 96 7.280 16.507 8.914 1.00 3.21 C ATOM 1421 CG LYS A 96 6.396 17.578 8.302 1.00 75.32 C ATOM 1422 CD LYS A 96 7.141 18.385 7.252 1.00 30.12 C ATOM 1423 CE LYS A 96 7.751 19.644 7.847 1.00 52.14 C ATOM 1424 NZ LYS A 96 6.799 20.789 7.821 1.00 73.31 N ATOM 0 H LYS A 96 5.238 15.254 9.507 1.00 22.14 H new ATOM 0 HA LYS A 96 6.994 15.125 7.290 1.00 70.25 H new ATOM 0 HB2 LYS A 96 7.144 16.510 9.995 1.00 3.21 H new ATOM 0 HB3 LYS A 96 8.324 16.757 8.724 1.00 3.21 H new ATOM 0 HG2 LYS A 96 5.520 17.113 7.850 1.00 75.32 H new ATOM 0 HG3 LYS A 96 6.035 18.244 9.086 1.00 75.32 H new ATOM 0 HD2 LYS A 96 7.927 17.772 6.810 1.00 30.12 H new ATOM 0 HD3 LYS A 96 6.458 18.656 6.447 1.00 30.12 H new ATOM 0 HE2 LYS A 96 8.056 19.449 8.875 1.00 52.14 H new ATOM 0 HE3 LYS A 96 8.651 19.908 7.292 1.00 52.14 H new ATOM 0 HZ1 LYS A 96 7.253 21.628 8.235 1.00 73.31 H new ATOM 0 HZ2 LYS A 96 6.528 20.993 6.838 1.00 73.31 H new ATOM 0 HZ3 LYS A 96 5.950 20.547 8.372 1.00 73.31 H new ATOM 1438 N LYS A 97 7.757 13.264 9.773 1.00 73.14 N ATOM 1439 CA LYS A 97 8.710 12.293 10.294 1.00 24.23 C ATOM 1440 C LYS A 97 8.800 11.075 9.380 1.00 33.45 C ATOM 1441 O LYS A 97 9.767 10.315 9.435 1.00 33.23 O ATOM 1442 CB LYS A 97 8.307 11.857 11.704 1.00 11.43 C ATOM 1443 CG LYS A 97 8.296 12.993 12.713 1.00 41.35 C ATOM 1444 CD LYS A 97 7.067 12.938 13.604 1.00 25.23 C ATOM 1445 CE LYS A 97 6.054 14.005 13.221 1.00 54.15 C ATOM 1446 NZ LYS A 97 4.701 13.427 12.986 1.00 43.22 N ATOM 0 H LYS A 97 6.827 13.205 10.187 1.00 73.14 H new ATOM 0 HA LYS A 97 9.690 12.769 10.334 1.00 24.23 H new ATOM 0 HB2 LYS A 97 7.315 11.406 11.666 1.00 11.43 H new ATOM 0 HB3 LYS A 97 8.995 11.084 12.047 1.00 11.43 H new ATOM 0 HG2 LYS A 97 9.194 12.943 13.328 1.00 41.35 H new ATOM 0 HG3 LYS A 97 8.323 13.948 12.187 1.00 41.35 H new ATOM 0 HD2 LYS A 97 6.606 11.953 13.529 1.00 25.23 H new ATOM 0 HD3 LYS A 97 7.364 13.073 14.644 1.00 25.23 H new ATOM 0 HE2 LYS A 97 5.997 14.752 14.012 1.00 54.15 H new ATOM 0 HE3 LYS A 97 6.391 14.519 12.321 1.00 54.15 H new ATOM 0 HZ1 LYS A 97 4.047 14.181 12.694 1.00 43.22 H new ATOM 0 HZ2 LYS A 97 4.756 12.708 12.237 1.00 43.22 H new ATOM 0 HZ3 LYS A 97 4.354 12.988 13.863 1.00 43.22 H new ATOM 1460 N ALA A 98 7.787 10.896 8.539 1.00 74.13 N ATOM 1461 CA ALA A 98 7.753 9.772 7.611 1.00 63.14 C ATOM 1462 C ALA A 98 8.889 9.863 6.598 1.00 45.24 C ATOM 1463 O ALA A 98 9.240 10.950 6.140 1.00 62.31 O ATOM 1464 CB ALA A 98 6.411 9.717 6.898 1.00 63.11 C ATOM 0 H ALA A 98 6.978 11.515 8.481 1.00 74.13 H new ATOM 0 HA ALA A 98 7.885 8.855 8.185 1.00 63.14 H new ATOM 0 HB1 ALA A 98 6.400 8.873 6.208 1.00 63.11 H new ATOM 0 HB2 ALA A 98 5.614 9.597 7.632 1.00 63.11 H new ATOM 0 HB3 ALA A 98 6.256 10.642 6.342 1.00 63.11 H new ATOM 1470 N SER A 99 9.462 8.714 6.253 1.00 14.11 N ATOM 1471 CA SER A 99 10.562 8.665 5.298 1.00 71.24 C ATOM 1472 C SER A 99 10.048 8.365 3.893 1.00 30.15 C ATOM 1473 O SER A 99 9.580 7.261 3.612 1.00 14.22 O ATOM 1474 CB SER A 99 11.581 7.604 5.718 1.00 65.13 C ATOM 1475 OG SER A 99 12.439 7.268 4.639 1.00 13.20 O ATOM 0 H SER A 99 9.182 7.805 6.621 1.00 14.11 H new ATOM 0 HA SER A 99 11.047 9.641 5.288 1.00 71.24 H new ATOM 0 HB2 SER A 99 12.172 7.974 6.556 1.00 65.13 H new ATOM 0 HB3 SER A 99 11.060 6.711 6.065 1.00 65.13 H new ATOM 0 HG SER A 99 13.083 6.589 4.932 1.00 13.20 H new ATOM 1481 N VAL A 100 10.139 9.356 3.012 1.00 51.41 N ATOM 1482 CA VAL A 100 9.685 9.200 1.635 1.00 11.43 C ATOM 1483 C VAL A 100 10.490 8.128 0.910 1.00 61.32 C ATOM 1484 O VAL A 100 9.954 7.390 0.082 1.00 70.15 O ATOM 1485 CB VAL A 100 9.794 10.523 0.855 1.00 52.34 C ATOM 1486 CG1 VAL A 100 8.842 11.562 1.429 1.00 1.44 C ATOM 1487 CG2 VAL A 100 11.226 11.035 0.871 1.00 62.53 C ATOM 0 H VAL A 100 10.523 10.276 3.227 1.00 51.41 H new ATOM 0 HA VAL A 100 8.639 8.898 1.679 1.00 11.43 H new ATOM 0 HB VAL A 100 9.510 10.337 -0.181 1.00 52.34 H new ATOM 0 HG11 VAL A 100 8.933 12.490 0.865 1.00 1.44 H new ATOM 0 HG12 VAL A 100 7.818 11.195 1.360 1.00 1.44 H new ATOM 0 HG13 VAL A 100 9.092 11.746 2.474 1.00 1.44 H new ATOM 0 HG21 VAL A 100 11.284 11.971 0.315 1.00 62.53 H new ATOM 0 HG22 VAL A 100 11.540 11.205 1.901 1.00 62.53 H new ATOM 0 HG23 VAL A 100 11.881 10.297 0.409 1.00 62.53 H new ATOM 1497 N GLU A 101 11.778 8.047 1.226 1.00 72.03 N ATOM 1498 CA GLU A 101 12.657 7.063 0.603 1.00 72.04 C ATOM 1499 C GLU A 101 12.207 5.644 0.936 1.00 62.11 C ATOM 1500 O GLU A 101 12.306 4.741 0.106 1.00 32.33 O ATOM 1501 CB GLU A 101 14.101 7.274 1.061 1.00 11.03 C ATOM 1502 CG GLU A 101 14.764 8.494 0.445 1.00 55.14 C ATOM 1503 CD GLU A 101 15.601 9.270 1.444 1.00 51.24 C ATOM 1504 OE1 GLU A 101 15.033 9.760 2.443 1.00 22.43 O ATOM 1505 OE2 GLU A 101 16.825 9.389 1.226 1.00 71.43 O ATOM 0 H GLU A 101 12.237 8.650 1.909 1.00 72.03 H new ATOM 0 HA GLU A 101 12.604 7.198 -0.477 1.00 72.04 H new ATOM 0 HB2 GLU A 101 14.118 7.371 2.147 1.00 11.03 H new ATOM 0 HB3 GLU A 101 14.685 6.389 0.811 1.00 11.03 H new ATOM 0 HG2 GLU A 101 15.396 8.179 -0.386 1.00 55.14 H new ATOM 0 HG3 GLU A 101 13.998 9.150 0.032 1.00 55.14 H new ATOM 1512 N GLN A 102 11.715 5.457 2.156 1.00 70.24 N ATOM 1513 CA GLN A 102 11.251 4.147 2.599 1.00 0.10 C ATOM 1514 C GLN A 102 9.905 3.805 1.972 1.00 31.42 C ATOM 1515 O GLN A 102 9.675 2.669 1.552 1.00 42.14 O ATOM 1516 CB GLN A 102 11.140 4.112 4.125 1.00 31.32 C ATOM 1517 CG GLN A 102 11.105 2.705 4.700 1.00 20.51 C ATOM 1518 CD GLN A 102 9.864 1.939 4.290 1.00 15.15 C ATOM 1519 OE1 GLN A 102 9.946 0.796 3.836 1.00 50.21 O ATOM 1520 NE2 GLN A 102 8.702 2.562 4.447 1.00 50.01 N ATOM 0 H GLN A 102 11.627 6.195 2.855 1.00 70.24 H new ATOM 0 HA GLN A 102 11.980 3.403 2.277 1.00 0.10 H new ATOM 0 HB2 GLN A 102 11.985 4.650 4.555 1.00 31.32 H new ATOM 0 HB3 GLN A 102 10.237 4.642 4.428 1.00 31.32 H new ATOM 0 HG2 GLN A 102 11.989 2.160 4.371 1.00 20.51 H new ATOM 0 HG3 GLN A 102 11.151 2.760 5.788 1.00 20.51 H new ATOM 0 HE21 GLN A 102 8.678 3.508 4.827 1.00 50.01 H new ATOM 0 HE22 GLN A 102 7.833 2.094 4.188 1.00 50.01 H new ATOM 1529 N LEU A 103 9.019 4.791 1.910 1.00 54.14 N ATOM 1530 CA LEU A 103 7.693 4.594 1.332 1.00 21.23 C ATOM 1531 C LEU A 103 7.794 4.127 -0.116 1.00 41.14 C ATOM 1532 O LEU A 103 7.067 3.229 -0.540 1.00 64.21 O ATOM 1533 CB LEU A 103 6.885 5.891 1.407 1.00 50.11 C ATOM 1534 CG LEU A 103 5.689 5.881 2.360 1.00 43.32 C ATOM 1535 CD1 LEU A 103 5.365 7.294 2.824 1.00 64.34 C ATOM 1536 CD2 LEU A 103 4.478 5.248 1.690 1.00 4.50 C ATOM 0 H LEU A 103 9.193 5.736 2.253 1.00 54.14 H new ATOM 0 HA LEU A 103 7.183 3.822 1.908 1.00 21.23 H new ATOM 0 HB2 LEU A 103 7.556 6.697 1.706 1.00 50.11 H new ATOM 0 HB3 LEU A 103 6.525 6.130 0.406 1.00 50.11 H new ATOM 0 HG LEU A 103 5.950 5.283 3.234 1.00 43.32 H new ATOM 0 HD11 LEU A 103 4.511 7.268 3.501 1.00 64.34 H new ATOM 0 HD12 LEU A 103 6.227 7.713 3.343 1.00 64.34 H new ATOM 0 HD13 LEU A 103 5.124 7.914 1.961 1.00 64.34 H new ATOM 0 HD21 LEU A 103 3.637 5.249 2.383 1.00 4.50 H new ATOM 0 HD22 LEU A 103 4.215 5.819 0.799 1.00 4.50 H new ATOM 0 HD23 LEU A 103 4.713 4.222 1.407 1.00 4.50 H new ATOM 1548 N GLN A 104 8.701 4.743 -0.869 1.00 60.21 N ATOM 1549 CA GLN A 104 8.897 4.388 -2.269 1.00 32.11 C ATOM 1550 C GLN A 104 9.505 2.996 -2.399 1.00 11.54 C ATOM 1551 O GLN A 104 9.081 2.196 -3.233 1.00 64.23 O ATOM 1552 CB GLN A 104 9.797 5.416 -2.956 1.00 44.43 C ATOM 1553 CG GLN A 104 9.403 5.707 -4.396 1.00 32.43 C ATOM 1554 CD GLN A 104 10.194 6.850 -4.999 1.00 73.23 C ATOM 1555 OE1 GLN A 104 11.187 7.301 -4.428 1.00 45.33 O ATOM 1556 NE2 GLN A 104 9.758 7.325 -6.159 1.00 33.24 N ATOM 0 H GLN A 104 9.310 5.489 -0.533 1.00 60.21 H new ATOM 0 HA GLN A 104 7.922 4.385 -2.756 1.00 32.11 H new ATOM 0 HB2 GLN A 104 9.773 6.345 -2.387 1.00 44.43 H new ATOM 0 HB3 GLN A 104 10.826 5.057 -2.935 1.00 44.43 H new ATOM 0 HG2 GLN A 104 9.552 4.810 -4.997 1.00 32.43 H new ATOM 0 HG3 GLN A 104 8.340 5.945 -4.437 1.00 32.43 H new ATOM 0 HE21 GLN A 104 8.930 6.921 -6.597 1.00 33.24 H new ATOM 0 HE22 GLN A 104 10.251 8.094 -6.613 1.00 33.24 H new ATOM 1565 N LYS A 105 10.501 2.711 -1.567 1.00 64.12 N ATOM 1566 CA LYS A 105 11.168 1.415 -1.587 1.00 44.31 C ATOM 1567 C LYS A 105 10.159 0.282 -1.439 1.00 32.10 C ATOM 1568 O LYS A 105 10.188 -0.691 -2.195 1.00 10.12 O ATOM 1569 CB LYS A 105 12.207 1.336 -0.465 1.00 23.43 C ATOM 1570 CG LYS A 105 13.641 1.412 -0.959 1.00 4.55 C ATOM 1571 CD LYS A 105 13.940 2.758 -1.600 1.00 20.31 C ATOM 1572 CE LYS A 105 14.440 2.596 -3.027 1.00 43.13 C ATOM 1573 NZ LYS A 105 15.236 3.774 -3.473 1.00 35.43 N ATOM 0 H LYS A 105 10.864 3.361 -0.870 1.00 64.12 H new ATOM 0 HA LYS A 105 11.670 1.308 -2.548 1.00 44.31 H new ATOM 0 HB2 LYS A 105 12.031 2.148 0.240 1.00 23.43 H new ATOM 0 HB3 LYS A 105 12.069 0.403 0.082 1.00 23.43 H new ATOM 0 HG2 LYS A 105 14.323 1.245 -0.125 1.00 4.55 H new ATOM 0 HG3 LYS A 105 13.820 0.616 -1.682 1.00 4.55 H new ATOM 0 HD2 LYS A 105 13.040 3.372 -1.596 1.00 20.31 H new ATOM 0 HD3 LYS A 105 14.688 3.286 -1.009 1.00 20.31 H new ATOM 0 HE2 LYS A 105 15.052 1.697 -3.098 1.00 43.13 H new ATOM 0 HE3 LYS A 105 13.591 2.457 -3.696 1.00 43.13 H new ATOM 0 HZ1 LYS A 105 15.559 3.625 -4.450 1.00 35.43 H new ATOM 0 HZ2 LYS A 105 14.645 4.629 -3.430 1.00 35.43 H new ATOM 0 HZ3 LYS A 105 16.061 3.892 -2.850 1.00 35.43 H new ATOM 1587 N ILE A 106 9.266 0.412 -0.465 1.00 50.41 N ATOM 1588 CA ILE A 106 8.246 -0.598 -0.221 1.00 33.35 C ATOM 1589 C ILE A 106 7.105 -0.483 -1.226 1.00 23.23 C ATOM 1590 O ILE A 106 6.485 -1.480 -1.595 1.00 21.34 O ATOM 1591 CB ILE A 106 7.672 -0.489 1.203 1.00 34.44 C ATOM 1592 CG1 ILE A 106 6.781 -1.694 1.514 1.00 62.12 C ATOM 1593 CG2 ILE A 106 6.892 0.807 1.362 1.00 74.50 C ATOM 1594 CD1 ILE A 106 6.492 -1.870 2.987 1.00 74.34 C ATOM 0 H ILE A 106 9.229 1.210 0.170 1.00 50.41 H new ATOM 0 HA ILE A 106 8.731 -1.567 -0.335 1.00 33.35 H new ATOM 0 HB ILE A 106 8.500 -0.482 1.911 1.00 34.44 H new ATOM 0 HG12 ILE A 106 5.838 -1.586 0.978 1.00 62.12 H new ATOM 0 HG13 ILE A 106 7.261 -2.597 1.136 1.00 62.12 H new ATOM 0 HG21 ILE A 106 6.492 0.869 2.374 1.00 74.50 H new ATOM 0 HG22 ILE A 106 7.553 1.654 1.180 1.00 74.50 H new ATOM 0 HG23 ILE A 106 6.071 0.827 0.646 1.00 74.50 H new ATOM 0 HD11 ILE A 106 5.855 -2.743 3.131 1.00 74.34 H new ATOM 0 HD12 ILE A 106 7.428 -2.010 3.527 1.00 74.34 H new ATOM 0 HD13 ILE A 106 5.984 -0.984 3.366 1.00 74.34 H new ATOM 1606 N ARG A 107 6.835 0.742 -1.668 1.00 22.23 N ATOM 1607 CA ARG A 107 5.770 0.988 -2.632 1.00 61.00 C ATOM 1608 C ARG A 107 6.049 0.266 -3.947 1.00 71.31 C ATOM 1609 O ARG A 107 5.125 -0.129 -4.659 1.00 63.41 O ATOM 1610 CB ARG A 107 5.618 2.489 -2.883 1.00 24.33 C ATOM 1611 CG ARG A 107 4.876 2.820 -4.169 1.00 34.23 C ATOM 1612 CD ARG A 107 5.834 3.216 -5.279 1.00 42.20 C ATOM 1613 NE ARG A 107 5.357 2.790 -6.592 1.00 4.11 N ATOM 1614 CZ ARG A 107 4.447 3.455 -7.294 1.00 63.33 C ATOM 1615 NH1 ARG A 107 3.918 4.571 -6.813 1.00 50.33 N ATOM 1616 NH2 ARG A 107 4.063 3.004 -8.483 1.00 3.13 N ATOM 0 H ARG A 107 7.339 1.578 -1.374 1.00 22.23 H new ATOM 0 HA ARG A 107 4.840 0.600 -2.216 1.00 61.00 H new ATOM 0 HB2 ARG A 107 5.089 2.938 -2.042 1.00 24.33 H new ATOM 0 HB3 ARG A 107 6.607 2.945 -2.917 1.00 24.33 H new ATOM 0 HG2 ARG A 107 4.289 1.957 -4.484 1.00 34.23 H new ATOM 0 HG3 ARG A 107 4.174 3.633 -3.986 1.00 34.23 H new ATOM 0 HD2 ARG A 107 5.966 4.298 -5.275 1.00 42.20 H new ATOM 0 HD3 ARG A 107 6.812 2.775 -5.088 1.00 42.20 H new ATOM 0 HE ARG A 107 5.744 1.935 -6.992 1.00 4.11 H new ATOM 0 HH11 ARG A 107 4.210 4.922 -5.901 1.00 50.33 H new ATOM 0 HH12 ARG A 107 3.219 5.079 -7.355 1.00 50.33 H new ATOM 0 HH21 ARG A 107 4.467 2.146 -8.858 1.00 3.13 H new ATOM 0 HH22 ARG A 107 3.364 3.516 -9.021 1.00 3.13 H new ATOM 1630 N ASP A 108 7.328 0.099 -4.264 1.00 74.45 N ATOM 1631 CA ASP A 108 7.729 -0.576 -5.495 1.00 3.10 C ATOM 1632 C ASP A 108 7.207 -2.008 -5.523 1.00 23.22 C ATOM 1633 O ASP A 108 6.846 -2.528 -6.580 1.00 63.24 O ATOM 1634 CB ASP A 108 9.252 -0.571 -5.629 1.00 43.52 C ATOM 1635 CG ASP A 108 9.812 0.823 -5.826 1.00 43.42 C ATOM 1636 OD1 ASP A 108 9.012 1.775 -5.925 1.00 53.32 O ATOM 1637 OD2 ASP A 108 11.052 0.963 -5.883 1.00 41.10 O ATOM 0 H ASP A 108 8.105 0.421 -3.687 1.00 74.45 H new ATOM 0 HA ASP A 108 7.296 -0.035 -6.337 1.00 3.10 H new ATOM 0 HB2 ASP A 108 9.694 -1.014 -4.736 1.00 43.52 H new ATOM 0 HB3 ASP A 108 9.541 -1.198 -6.472 1.00 43.52 H new ATOM 1642 N LEU A 109 7.169 -2.642 -4.357 1.00 5.12 N ATOM 1643 CA LEU A 109 6.693 -4.017 -4.248 1.00 33.32 C ATOM 1644 C LEU A 109 5.237 -4.125 -4.690 1.00 51.34 C ATOM 1645 O LEU A 109 4.875 -5.020 -5.455 1.00 24.23 O ATOM 1646 CB LEU A 109 6.839 -4.516 -2.810 1.00 42.21 C ATOM 1647 CG LEU A 109 8.232 -5.000 -2.404 1.00 65.44 C ATOM 1648 CD1 LEU A 109 8.680 -6.145 -3.299 1.00 24.11 C ATOM 1649 CD2 LEU A 109 9.231 -3.854 -2.462 1.00 54.52 C ATOM 0 H LEU A 109 7.462 -2.226 -3.473 1.00 5.12 H new ATOM 0 HA LEU A 109 7.301 -4.639 -4.905 1.00 33.32 H new ATOM 0 HB2 LEU A 109 6.545 -3.711 -2.136 1.00 42.21 H new ATOM 0 HB3 LEU A 109 6.134 -5.333 -2.657 1.00 42.21 H new ATOM 0 HG LEU A 109 8.185 -5.364 -1.378 1.00 65.44 H new ATOM 0 HD11 LEU A 109 9.673 -6.477 -2.996 1.00 24.11 H new ATOM 0 HD12 LEU A 109 7.977 -6.974 -3.209 1.00 24.11 H new ATOM 0 HD13 LEU A 109 8.711 -5.807 -4.335 1.00 24.11 H new ATOM 0 HD21 LEU A 109 10.217 -4.216 -2.170 1.00 54.52 H new ATOM 0 HD22 LEU A 109 9.275 -3.461 -3.478 1.00 54.52 H new ATOM 0 HD23 LEU A 109 8.918 -3.064 -1.780 1.00 54.52 H new ATOM 1661 N ILE A 110 4.408 -3.206 -4.207 1.00 51.11 N ATOM 1662 CA ILE A 110 2.993 -3.196 -4.556 1.00 63.20 C ATOM 1663 C ILE A 110 2.787 -2.771 -6.006 1.00 50.20 C ATOM 1664 O ILE A 110 1.913 -3.293 -6.699 1.00 52.20 O ATOM 1665 CB ILE A 110 2.194 -2.252 -3.638 1.00 31.03 C ATOM 1666 CG1 ILE A 110 2.367 -2.662 -2.174 1.00 4.51 C ATOM 1667 CG2 ILE A 110 0.721 -2.259 -4.025 1.00 21.13 C ATOM 1668 CD1 ILE A 110 3.528 -1.976 -1.489 1.00 50.51 C ATOM 0 H ILE A 110 4.692 -2.459 -3.573 1.00 51.11 H new ATOM 0 HA ILE A 110 2.628 -4.214 -4.423 1.00 63.20 H new ATOM 0 HB ILE A 110 2.578 -1.239 -3.760 1.00 31.03 H new ATOM 0 HG12 ILE A 110 1.450 -2.436 -1.631 1.00 4.51 H new ATOM 0 HG13 ILE A 110 2.511 -3.741 -2.122 1.00 4.51 H new ATOM 0 HG21 ILE A 110 0.169 -1.587 -3.368 1.00 21.13 H new ATOM 0 HG22 ILE A 110 0.614 -1.925 -5.057 1.00 21.13 H new ATOM 0 HG23 ILE A 110 0.324 -3.269 -3.928 1.00 21.13 H new ATOM 0 HD11 ILE A 110 3.591 -2.314 -0.455 1.00 50.51 H new ATOM 0 HD12 ILE A 110 4.454 -2.222 -2.008 1.00 50.51 H new ATOM 0 HD13 ILE A 110 3.377 -0.897 -1.510 1.00 50.51 H new ATOM 1680 N ALA A 111 3.599 -1.822 -6.460 1.00 12.13 N ATOM 1681 CA ALA A 111 3.508 -1.329 -7.829 1.00 3.22 C ATOM 1682 C ALA A 111 3.656 -2.468 -8.833 1.00 51.40 C ATOM 1683 O ALA A 111 2.876 -2.578 -9.778 1.00 61.54 O ATOM 1684 CB ALA A 111 4.566 -0.264 -8.077 1.00 60.21 C ATOM 0 H ALA A 111 4.327 -1.379 -5.900 1.00 12.13 H new ATOM 0 HA ALA A 111 2.522 -0.885 -7.965 1.00 3.22 H new ATOM 0 HB1 ALA A 111 4.487 0.096 -9.103 1.00 60.21 H new ATOM 0 HB2 ALA A 111 4.414 0.567 -7.388 1.00 60.21 H new ATOM 0 HB3 ALA A 111 5.556 -0.691 -7.917 1.00 60.21 H new ATOM 1690 N ILE A 112 4.660 -3.312 -8.620 1.00 61.23 N ATOM 1691 CA ILE A 112 4.909 -4.441 -9.508 1.00 54.30 C ATOM 1692 C ILE A 112 3.889 -5.552 -9.281 1.00 52.14 C ATOM 1693 O ILE A 112 3.456 -6.212 -10.225 1.00 3.20 O ATOM 1694 CB ILE A 112 6.325 -5.012 -9.308 1.00 52.12 C ATOM 1695 CG1 ILE A 112 6.576 -6.163 -10.284 1.00 21.32 C ATOM 1696 CG2 ILE A 112 6.512 -5.477 -7.872 1.00 45.11 C ATOM 1697 CD1 ILE A 112 6.472 -5.758 -11.737 1.00 71.54 C ATOM 0 H ILE A 112 5.314 -3.235 -7.841 1.00 61.23 H new ATOM 0 HA ILE A 112 4.817 -4.068 -10.528 1.00 54.30 H new ATOM 0 HB ILE A 112 7.050 -4.224 -9.510 1.00 52.12 H new ATOM 0 HG12 ILE A 112 7.569 -6.574 -10.100 1.00 21.32 H new ATOM 0 HG13 ILE A 112 5.859 -6.960 -10.085 1.00 21.32 H new ATOM 0 HG21 ILE A 112 7.518 -5.878 -7.747 1.00 45.11 H new ATOM 0 HG22 ILE A 112 6.371 -4.634 -7.195 1.00 45.11 H new ATOM 0 HG23 ILE A 112 5.781 -6.253 -7.643 1.00 45.11 H new ATOM 0 HD11 ILE A 112 6.662 -6.624 -12.371 1.00 71.54 H new ATOM 0 HD12 ILE A 112 5.472 -5.374 -11.937 1.00 71.54 H new ATOM 0 HD13 ILE A 112 7.208 -4.983 -11.952 1.00 71.54 H new ATOM 1709 N GLU A 113 3.506 -5.751 -8.023 1.00 5.53 N ATOM 1710 CA GLU A 113 2.536 -6.781 -7.673 1.00 70.53 C ATOM 1711 C GLU A 113 1.186 -6.501 -8.326 1.00 62.43 C ATOM 1712 O GLU A 113 0.458 -7.423 -8.693 1.00 14.22 O ATOM 1713 CB GLU A 113 2.374 -6.865 -6.154 1.00 54.34 C ATOM 1714 CG GLU A 113 1.807 -8.192 -5.675 1.00 64.14 C ATOM 1715 CD GLU A 113 2.855 -9.286 -5.619 1.00 63.52 C ATOM 1716 OE1 GLU A 113 3.731 -9.316 -6.509 1.00 43.45 O ATOM 1717 OE2 GLU A 113 2.799 -10.113 -4.686 1.00 20.33 O ATOM 0 H GLU A 113 3.853 -5.212 -7.230 1.00 5.53 H new ATOM 0 HA GLU A 113 2.908 -7.736 -8.044 1.00 70.53 H new ATOM 0 HB2 GLU A 113 3.344 -6.703 -5.684 1.00 54.34 H new ATOM 0 HB3 GLU A 113 1.720 -6.059 -5.822 1.00 54.34 H new ATOM 0 HG2 GLU A 113 1.371 -8.061 -4.685 1.00 64.14 H new ATOM 0 HG3 GLU A 113 1.000 -8.500 -6.340 1.00 64.14 H new ATOM 1724 N ARG A 114 0.860 -5.221 -8.470 1.00 74.12 N ATOM 1725 CA ARG A 114 -0.403 -4.818 -9.076 1.00 72.22 C ATOM 1726 C ARG A 114 -0.554 -5.421 -10.470 1.00 63.10 C ATOM 1727 O ARG A 114 -1.590 -5.998 -10.799 1.00 50.13 O ATOM 1728 CB ARG A 114 -0.492 -3.293 -9.157 1.00 12.35 C ATOM 1729 CG ARG A 114 -1.040 -2.647 -7.895 1.00 41.34 C ATOM 1730 CD ARG A 114 -0.478 -1.248 -7.696 1.00 11.23 C ATOM 1731 NE ARG A 114 -0.705 -0.396 -8.860 1.00 62.43 N ATOM 1732 CZ ARG A 114 -0.686 0.930 -8.815 1.00 72.05 C ATOM 1733 NH1 ARG A 114 -0.453 1.555 -7.669 1.00 64.31 N ATOM 1734 NH2 ARG A 114 -0.901 1.637 -9.917 1.00 73.22 N ATOM 0 H ARG A 114 1.453 -4.445 -8.175 1.00 74.12 H new ATOM 0 HA ARG A 114 -1.213 -5.189 -8.448 1.00 72.22 H new ATOM 0 HB2 ARG A 114 0.500 -2.890 -9.360 1.00 12.35 H new ATOM 0 HB3 ARG A 114 -1.126 -3.019 -10.000 1.00 12.35 H new ATOM 0 HG2 ARG A 114 -2.127 -2.599 -7.952 1.00 41.34 H new ATOM 0 HG3 ARG A 114 -0.794 -3.265 -7.032 1.00 41.34 H new ATOM 0 HD2 ARG A 114 -0.939 -0.794 -6.819 1.00 11.23 H new ATOM 0 HD3 ARG A 114 0.592 -1.312 -7.497 1.00 11.23 H new ATOM 0 HE ARG A 114 -0.888 -0.845 -9.757 1.00 62.43 H new ATOM 0 HH11 ARG A 114 -0.288 1.016 -6.819 1.00 64.31 H new ATOM 0 HH12 ARG A 114 -0.439 2.574 -7.638 1.00 64.31 H new ATOM 0 HH21 ARG A 114 -1.081 1.161 -10.801 1.00 73.22 H new ATOM 0 HH22 ARG A 114 -0.886 2.656 -9.880 1.00 73.22 H new ATOM 1748 N SER A 115 0.488 -5.283 -11.284 1.00 21.41 N ATOM 1749 CA SER A 115 0.470 -5.810 -12.644 1.00 71.32 C ATOM 1750 C SER A 115 0.579 -7.332 -12.637 1.00 61.20 C ATOM 1751 O SER A 115 0.003 -8.009 -13.491 1.00 13.23 O ATOM 1752 CB SER A 115 1.615 -5.209 -13.461 1.00 44.00 C ATOM 1753 OG SER A 115 2.116 -4.033 -12.849 1.00 25.30 O ATOM 0 H SER A 115 1.355 -4.811 -11.026 1.00 21.41 H new ATOM 0 HA SER A 115 -0.479 -5.533 -13.103 1.00 71.32 H new ATOM 0 HB2 SER A 115 2.417 -5.940 -13.562 1.00 44.00 H new ATOM 0 HB3 SER A 115 1.266 -4.978 -14.467 1.00 44.00 H new ATOM 0 HG SER A 115 2.848 -3.669 -13.390 1.00 25.30 H new ATOM 1759 N SER A 116 1.319 -7.863 -11.670 1.00 3.44 N ATOM 1760 CA SER A 116 1.507 -9.304 -11.554 1.00 72.45 C ATOM 1761 C SER A 116 0.178 -10.005 -11.291 1.00 30.40 C ATOM 1762 O SER A 116 -0.036 -11.137 -11.726 1.00 1.32 O ATOM 1763 CB SER A 116 2.494 -9.622 -10.431 1.00 10.35 C ATOM 1764 OG SER A 116 3.059 -10.911 -10.597 1.00 61.51 O ATOM 0 H SER A 116 1.799 -7.317 -10.955 1.00 3.44 H new ATOM 0 HA SER A 116 1.911 -9.670 -12.498 1.00 72.45 H new ATOM 0 HB2 SER A 116 3.286 -8.874 -10.416 1.00 10.35 H new ATOM 0 HB3 SER A 116 1.985 -9.566 -9.469 1.00 10.35 H new ATOM 0 HG SER A 116 3.688 -11.089 -9.867 1.00 61.51 H new ATOM 1770 N ARG A 117 -0.712 -9.324 -10.577 1.00 21.52 N ATOM 1771 CA ARG A 117 -2.021 -9.882 -10.254 1.00 53.01 C ATOM 1772 C ARG A 117 -2.952 -9.815 -11.461 1.00 61.32 C ATOM 1773 O ARG A 117 -3.869 -10.628 -11.597 1.00 44.15 O ATOM 1774 CB ARG A 117 -2.642 -9.131 -9.075 1.00 43.22 C ATOM 1775 CG ARG A 117 -3.975 -9.704 -8.622 1.00 25.32 C ATOM 1776 CD ARG A 117 -4.779 -8.686 -7.829 1.00 42.02 C ATOM 1777 NE ARG A 117 -6.197 -8.721 -8.174 1.00 12.03 N ATOM 1778 CZ ARG A 117 -6.697 -8.198 -9.288 1.00 41.31 C ATOM 1779 NH1 ARG A 117 -5.897 -7.602 -10.161 1.00 64.02 N ATOM 1780 NH2 ARG A 117 -7.999 -8.270 -9.530 1.00 12.31 N ATOM 0 H ARG A 117 -0.551 -8.386 -10.211 1.00 21.52 H new ATOM 0 HA ARG A 117 -1.885 -10.928 -9.979 1.00 53.01 H new ATOM 0 HB2 ARG A 117 -1.945 -9.148 -8.237 1.00 43.22 H new ATOM 0 HB3 ARG A 117 -2.781 -8.086 -9.353 1.00 43.22 H new ATOM 0 HG2 ARG A 117 -4.549 -10.025 -9.492 1.00 25.32 H new ATOM 0 HG3 ARG A 117 -3.802 -10.589 -8.010 1.00 25.32 H new ATOM 0 HD2 ARG A 117 -4.660 -8.881 -6.763 1.00 42.02 H new ATOM 0 HD3 ARG A 117 -4.385 -7.687 -8.016 1.00 42.02 H new ATOM 0 HE ARG A 117 -6.840 -9.172 -7.523 1.00 12.03 H new ATOM 0 HH11 ARG A 117 -4.895 -7.544 -9.978 1.00 64.02 H new ATOM 0 HH12 ARG A 117 -6.283 -7.201 -11.016 1.00 64.02 H new ATOM 0 HH21 ARG A 117 -8.618 -8.727 -8.860 1.00 12.31 H new ATOM 0 HH22 ARG A 117 -8.382 -7.868 -10.386 1.00 12.31 H new