USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 514 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 NoAdj-H: A 382 HIS HE2 : A 382 HIS NE2 : A 402 ZNZN :(H bumps) USER MOD Set 1.1: A 364 ASN : amide:sc= 1.7 K(o=2.3,f=-3.3!) USER MOD Set 1.2: A 366 ASN : amide:sc= 0.561 K(o=2.3,f=1.2) USER MOD Single : A 324 SER OG : rot 53:sc= 0.0627 USER MOD Single : A 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 326 LYS NZ :NH3+ -162:sc= 0.634 (180deg=0.313) USER MOD Single : A 327 CYS SG : rot 180:sc= 0 USER MOD Single : A 331 SER OG : rot 180:sc= 0 USER MOD Single : A 333 THR OG1 : rot 16:sc= 1.64 USER MOD Single : A 334 SER OG : rot 62:sc= 0.253 USER MOD Single : A 335 ASN : amide:sc= -0.0899 X(o=-0.09,f=-0.5) USER MOD Single : A 340 ASN : amide:sc= 0.795 K(o=0.79,f=0) USER MOD Single : A 341 THR OG1 : rot -157:sc= -0.643 USER MOD Single : A 342 LYS NZ :NH3+ -174:sc= 1.33 (180deg=1.19) USER MOD Single : A 346 LYS NZ :NH3+ -163:sc= -0.071 (180deg=-0.415) USER MOD Single : A 348 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 350 THR OG1 : rot 180:sc= 0 USER MOD Single : A 353 LYS NZ :NH3+ -152:sc= -0.195 (180deg=-0.894) USER MOD Single : A 357 SER OG : rot 180:sc= 0 USER MOD Single : A 358 ASN : amide:sc= -1.81! C(o=-1.8!,f=-6!) USER MOD Single : A 359 HIS : no HD1:sc= 0.239 K(o=0.24,f=-4.2!) USER MOD Single : A 360 MET CE :methyl -124:sc= -2.56! (180deg=-6.92!) USER MOD Single : A 365 GLN :FLIP amide:sc= -0.429 F(o=-3.6!,f=-0.43) USER MOD Single : A 368 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 387 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 ASN : amide:sc= -0.0633 X(o=-0.063,f=-0.32) USER MOD Single : A 390 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 392 TYR OH : rot -1:sc= 1.01 USER MOD Single : A 393 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 323 -0.312 -1.366 -10.656 1.00 0.00 N ATOM 2 CA GLY A 323 0.052 -1.323 -12.087 1.00 0.00 C ATOM 3 C GLY A 323 -0.358 -0.027 -12.747 1.00 0.00 C ATOM 4 O GLY A 323 -1.296 0.004 -13.550 1.00 0.00 O ATOM 0 HA2 GLY A 323 1.129 -1.455 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 323 -0.422 -2.157 -12.605 1.00 0.00 H new ATOM 10 N SER A 324 0.336 1.043 -12.419 1.00 0.00 N ATOM 11 CA SER A 324 0.051 2.341 -12.985 1.00 0.00 C ATOM 12 C SER A 324 0.748 2.507 -14.334 1.00 0.00 C ATOM 13 O SER A 324 1.799 3.140 -14.435 1.00 0.00 O ATOM 14 CB SER A 324 0.471 3.441 -12.007 1.00 0.00 C ATOM 15 OG SER A 324 1.760 3.172 -11.472 1.00 0.00 O ATOM 0 H SER A 324 1.110 1.036 -11.755 1.00 0.00 H new ATOM 0 HA SER A 324 -1.022 2.423 -13.156 1.00 0.00 H new ATOM 0 HB2 SER A 324 0.477 4.405 -12.516 1.00 0.00 H new ATOM 0 HB3 SER A 324 -0.256 3.513 -11.198 1.00 0.00 H new ATOM 0 HG SER A 324 2.392 3.014 -12.204 1.00 0.00 H new ATOM 21 N LYS A 325 0.172 1.900 -15.359 1.00 0.00 N ATOM 22 CA LYS A 325 0.727 1.959 -16.708 1.00 0.00 C ATOM 23 C LYS A 325 0.058 3.064 -17.516 1.00 0.00 C ATOM 24 O LYS A 325 0.403 3.300 -18.678 1.00 0.00 O ATOM 25 CB LYS A 325 0.532 0.614 -17.408 1.00 0.00 C ATOM 26 CG LYS A 325 1.221 -0.548 -16.711 1.00 0.00 C ATOM 27 CD LYS A 325 0.886 -1.866 -17.385 1.00 0.00 C ATOM 28 CE LYS A 325 1.556 -3.035 -16.685 1.00 0.00 C ATOM 29 NZ LYS A 325 1.171 -4.333 -17.292 1.00 0.00 N1+ ATOM 0 H LYS A 325 -0.687 1.355 -15.284 1.00 0.00 H new ATOM 0 HA LYS A 325 1.792 2.178 -16.636 1.00 0.00 H new ATOM 0 HB2 LYS A 325 -0.535 0.403 -17.477 1.00 0.00 H new ATOM 0 HB3 LYS A 325 0.909 0.688 -18.428 1.00 0.00 H new ATOM 0 HG2 LYS A 325 2.300 -0.394 -16.722 1.00 0.00 H new ATOM 0 HG3 LYS A 325 0.914 -0.582 -15.666 1.00 0.00 H new ATOM 0 HD2 LYS A 325 -0.194 -2.011 -17.385 1.00 0.00 H new ATOM 0 HD3 LYS A 325 1.204 -1.834 -18.427 1.00 0.00 H new ATOM 0 HE2 LYS A 325 2.638 -2.917 -16.735 1.00 0.00 H new ATOM 0 HE3 LYS A 325 1.283 -3.032 -15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 325 1.648 -5.107 -16.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 325 0.141 -4.457 -17.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 325 1.454 -4.346 -18.293 1.00 0.00 H new ATOM 43 N LYS A 326 -0.891 3.731 -16.892 1.00 0.00 N ATOM 44 CA LYS A 326 -1.646 4.792 -17.530 1.00 0.00 C ATOM 45 C LYS A 326 -1.745 5.988 -16.602 1.00 0.00 C ATOM 46 O LYS A 326 -1.323 5.917 -15.443 1.00 0.00 O ATOM 47 CB LYS A 326 -3.049 4.293 -17.895 1.00 0.00 C ATOM 48 CG LYS A 326 -3.835 3.743 -16.707 1.00 0.00 C ATOM 49 CD LYS A 326 -5.215 3.243 -17.119 1.00 0.00 C ATOM 50 CE LYS A 326 -6.131 4.387 -17.543 1.00 0.00 C ATOM 51 NZ LYS A 326 -6.468 5.288 -16.409 1.00 0.00 N1+ ATOM 0 H LYS A 326 -1.162 3.553 -15.925 1.00 0.00 H new ATOM 0 HA LYS A 326 -1.131 5.093 -18.442 1.00 0.00 H new ATOM 0 HB2 LYS A 326 -3.611 5.113 -18.343 1.00 0.00 H new ATOM 0 HB3 LYS A 326 -2.962 3.515 -18.653 1.00 0.00 H new ATOM 0 HG2 LYS A 326 -3.276 2.928 -16.248 1.00 0.00 H new ATOM 0 HG3 LYS A 326 -3.942 4.521 -15.951 1.00 0.00 H new ATOM 0 HD2 LYS A 326 -5.114 2.535 -17.941 1.00 0.00 H new ATOM 0 HD3 LYS A 326 -5.669 2.703 -16.288 1.00 0.00 H new ATOM 0 HE2 LYS A 326 -5.648 4.964 -18.332 1.00 0.00 H new ATOM 0 HE3 LYS A 326 -7.049 3.978 -17.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 -7.307 5.852 -16.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 -6.666 4.720 -15.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 -5.667 5.923 -16.220 1.00 0.00 H new ATOM 65 N CYS A 327 -2.298 7.081 -17.101 1.00 0.00 N ATOM 66 CA CYS A 327 -2.465 8.281 -16.299 1.00 0.00 C ATOM 67 C CYS A 327 -3.557 8.081 -15.264 1.00 0.00 C ATOM 68 O CYS A 327 -4.522 7.339 -15.493 1.00 0.00 O ATOM 69 CB CYS A 327 -2.797 9.477 -17.183 1.00 0.00 C ATOM 70 SG CYS A 327 -1.596 9.771 -18.498 1.00 0.00 S ATOM 0 H CYS A 327 -2.639 7.162 -18.059 1.00 0.00 H new ATOM 0 HA CYS A 327 -1.525 8.479 -15.784 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -3.780 9.325 -17.629 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -2.865 10.369 -16.560 1.00 0.00 H new ATOM 0 HG CYS A 327 -1.962 10.804 -19.197 1.00 0.00 H new ATOM 76 N ASP A 328 -3.397 8.738 -14.136 1.00 0.00 N ATOM 77 CA ASP A 328 -4.349 8.648 -13.041 1.00 0.00 C ATOM 78 C ASP A 328 -4.449 10.018 -12.389 1.00 0.00 C ATOM 79 O ASP A 328 -4.514 10.155 -11.168 1.00 0.00 O ATOM 80 CB ASP A 328 -3.867 7.594 -12.029 1.00 0.00 C ATOM 81 CG ASP A 328 -4.986 7.029 -11.167 1.00 0.00 C ATOM 82 OD1 ASP A 328 -5.807 6.241 -11.694 1.00 0.00 O ATOM 83 OD2 ASP A 328 -5.021 7.321 -9.957 1.00 0.00 O1- ATOM 0 H ASP A 328 -2.604 9.351 -13.948 1.00 0.00 H new ATOM 0 HA ASP A 328 -5.331 8.345 -13.404 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -3.385 6.778 -12.567 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -3.111 8.040 -11.383 1.00 0.00 H new ATOM 88 N ASP A 329 -4.465 11.043 -13.232 1.00 0.00 N ATOM 89 CA ASP A 329 -4.471 12.423 -12.772 1.00 0.00 C ATOM 90 C ASP A 329 -5.750 13.137 -13.178 1.00 0.00 C ATOM 91 O ASP A 329 -5.769 14.364 -13.317 1.00 0.00 O ATOM 92 CB ASP A 329 -3.265 13.175 -13.345 1.00 0.00 C ATOM 93 CG ASP A 329 -1.950 12.542 -12.964 1.00 0.00 C ATOM 94 OD1 ASP A 329 -1.426 12.855 -11.879 1.00 0.00 O ATOM 95 OD2 ASP A 329 -1.427 11.721 -13.753 1.00 0.00 O1- ATOM 0 H ASP A 329 -4.474 10.941 -14.247 1.00 0.00 H new ATOM 0 HA ASP A 329 -4.414 12.410 -11.684 1.00 0.00 H new ATOM 0 HB2 ASP A 329 -3.346 13.209 -14.431 1.00 0.00 H new ATOM 0 HB3 ASP A 329 -3.283 14.206 -12.991 1.00 0.00 H new ATOM 100 N ASP A 330 -6.814 12.380 -13.359 1.00 0.00 N ATOM 101 CA ASP A 330 -8.091 12.948 -13.766 1.00 0.00 C ATOM 102 C ASP A 330 -9.181 12.552 -12.775 1.00 0.00 C ATOM 103 O ASP A 330 -8.975 11.675 -11.944 1.00 0.00 O ATOM 104 CB ASP A 330 -8.458 12.456 -15.174 1.00 0.00 C ATOM 105 CG ASP A 330 -9.608 13.224 -15.794 1.00 0.00 C ATOM 106 OD1 ASP A 330 -10.773 12.862 -15.546 1.00 0.00 O ATOM 107 OD2 ASP A 330 -9.348 14.191 -16.540 1.00 0.00 O1- ATOM 0 H ASP A 330 -6.823 11.368 -13.231 1.00 0.00 H new ATOM 0 HA ASP A 330 -8.006 14.035 -13.780 1.00 0.00 H new ATOM 0 HB2 ASP A 330 -7.584 12.539 -15.820 1.00 0.00 H new ATOM 0 HB3 ASP A 330 -8.720 11.399 -15.126 1.00 0.00 H new ATOM 112 N SER A 331 -10.333 13.192 -12.867 1.00 0.00 N ATOM 113 CA SER A 331 -11.453 12.877 -12.004 1.00 0.00 C ATOM 114 C SER A 331 -11.997 11.491 -12.338 1.00 0.00 C ATOM 115 O SER A 331 -12.551 10.798 -11.481 1.00 0.00 O ATOM 116 CB SER A 331 -12.547 13.926 -12.174 1.00 0.00 C ATOM 117 OG SER A 331 -12.005 15.236 -12.085 1.00 0.00 O ATOM 0 H SER A 331 -10.516 13.939 -13.537 1.00 0.00 H new ATOM 0 HA SER A 331 -11.116 12.880 -10.967 1.00 0.00 H new ATOM 0 HB2 SER A 331 -13.037 13.795 -13.139 1.00 0.00 H new ATOM 0 HB3 SER A 331 -13.310 13.790 -11.408 1.00 0.00 H new ATOM 0 HG SER A 331 -12.722 15.895 -12.198 1.00 0.00 H new ATOM 123 N GLU A 332 -11.814 11.092 -13.588 1.00 0.00 N ATOM 124 CA GLU A 332 -12.262 9.790 -14.059 1.00 0.00 C ATOM 125 C GLU A 332 -11.437 8.671 -13.445 1.00 0.00 C ATOM 126 O GLU A 332 -11.937 7.571 -13.220 1.00 0.00 O ATOM 127 CB GLU A 332 -12.185 9.716 -15.581 1.00 0.00 C ATOM 128 CG GLU A 332 -13.153 10.641 -16.287 1.00 0.00 C ATOM 129 CD GLU A 332 -14.590 10.319 -15.958 1.00 0.00 C ATOM 130 OE1 GLU A 332 -15.130 9.351 -16.523 1.00 0.00 O ATOM 131 OE2 GLU A 332 -15.189 11.034 -15.136 1.00 0.00 O1- ATOM 0 H GLU A 332 -11.353 11.658 -14.301 1.00 0.00 H new ATOM 0 HA GLU A 332 -13.299 9.664 -13.748 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -11.170 9.958 -15.896 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -12.381 8.691 -15.896 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -12.939 11.672 -16.005 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -13.003 10.568 -17.364 1.00 0.00 H new ATOM 138 N THR A 333 -10.177 8.960 -13.166 1.00 0.00 N ATOM 139 CA THR A 333 -9.283 7.984 -12.611 1.00 0.00 C ATOM 140 C THR A 333 -9.357 7.955 -11.085 1.00 0.00 C ATOM 141 O THR A 333 -8.733 7.120 -10.441 1.00 0.00 O ATOM 142 CB THR A 333 -7.846 8.247 -13.072 1.00 0.00 C ATOM 143 OG1 THR A 333 -7.522 9.630 -12.887 1.00 0.00 O ATOM 144 CG2 THR A 333 -7.683 7.880 -14.538 1.00 0.00 C ATOM 0 H THR A 333 -9.756 9.876 -13.321 1.00 0.00 H new ATOM 0 HA THR A 333 -9.596 7.006 -12.976 1.00 0.00 H new ATOM 0 HB THR A 333 -7.172 7.631 -12.476 1.00 0.00 H new ATOM 0 HG1 THR A 333 -8.175 10.041 -12.282 1.00 0.00 H new ATOM 0 HG21 THR A 333 -6.656 8.073 -14.849 1.00 0.00 H new ATOM 0 HG22 THR A 333 -7.912 6.823 -14.676 1.00 0.00 H new ATOM 0 HG23 THR A 333 -8.364 8.480 -15.141 1.00 0.00 H new ATOM 152 N SER A 334 -10.151 8.854 -10.514 1.00 0.00 N ATOM 153 CA SER A 334 -10.335 8.907 -9.068 1.00 0.00 C ATOM 154 C SER A 334 -11.341 7.860 -8.612 1.00 0.00 C ATOM 155 O SER A 334 -11.964 7.991 -7.557 1.00 0.00 O ATOM 156 CB SER A 334 -10.794 10.295 -8.641 1.00 0.00 C ATOM 157 OG SER A 334 -9.909 11.293 -9.122 1.00 0.00 O ATOM 0 H SER A 334 -10.678 9.557 -11.031 1.00 0.00 H new ATOM 0 HA SER A 334 -9.376 8.692 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 334 -11.799 10.482 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 334 -10.848 10.345 -7.554 1.00 0.00 H new ATOM 0 HG SER A 334 -9.902 11.280 -10.102 1.00 0.00 H new ATOM 163 N ASN A 335 -11.458 6.805 -9.397 1.00 0.00 N ATOM 164 CA ASN A 335 -12.378 5.724 -9.110 1.00 0.00 C ATOM 165 C ASN A 335 -11.974 4.972 -7.853 1.00 0.00 C ATOM 166 O ASN A 335 -12.783 4.264 -7.265 1.00 0.00 O ATOM 167 CB ASN A 335 -12.472 4.756 -10.302 1.00 0.00 C ATOM 168 CG ASN A 335 -11.112 4.239 -10.747 1.00 0.00 C ATOM 169 OD1 ASN A 335 -10.457 4.841 -11.600 1.00 0.00 O ATOM 170 ND2 ASN A 335 -10.679 3.124 -10.186 1.00 0.00 N ATOM 0 H ASN A 335 -10.917 6.675 -10.252 1.00 0.00 H new ATOM 0 HA ASN A 335 -13.360 6.165 -8.940 1.00 0.00 H new ATOM 0 HB2 ASN A 335 -13.106 3.912 -10.030 1.00 0.00 H new ATOM 0 HB3 ASN A 335 -12.955 5.261 -11.138 1.00 0.00 H new ATOM 0 HD21 ASN A 335 -9.776 2.735 -10.456 1.00 0.00 H new ATOM 0 HD22 ASN A 335 -11.248 2.652 -9.483 1.00 0.00 H new ATOM 177 N TRP A 336 -10.729 5.131 -7.440 1.00 0.00 N ATOM 178 CA TRP A 336 -10.258 4.459 -6.245 1.00 0.00 C ATOM 179 C TRP A 336 -10.291 5.403 -5.056 1.00 0.00 C ATOM 180 O TRP A 336 -10.563 5.002 -3.942 1.00 0.00 O ATOM 181 CB TRP A 336 -8.856 3.861 -6.448 1.00 0.00 C ATOM 182 CG TRP A 336 -7.789 4.856 -6.804 1.00 0.00 C ATOM 183 CD1 TRP A 336 -7.556 5.405 -8.031 1.00 0.00 C ATOM 184 CD2 TRP A 336 -6.800 5.402 -5.925 1.00 0.00 C ATOM 185 NE1 TRP A 336 -6.490 6.262 -7.966 1.00 0.00 N ATOM 186 CE2 TRP A 336 -6.007 6.279 -6.688 1.00 0.00 C ATOM 187 CE3 TRP A 336 -6.511 5.238 -4.568 1.00 0.00 C ATOM 188 CZ2 TRP A 336 -4.942 6.989 -6.138 1.00 0.00 C ATOM 189 CZ3 TRP A 336 -5.455 5.944 -4.025 1.00 0.00 C ATOM 190 CH2 TRP A 336 -4.683 6.808 -4.807 1.00 0.00 C ATOM 0 H TRP A 336 -10.034 5.712 -7.909 1.00 0.00 H new ATOM 0 HA TRP A 336 -10.932 3.628 -6.038 1.00 0.00 H new ATOM 0 HB2 TRP A 336 -8.561 3.346 -5.534 1.00 0.00 H new ATOM 0 HB3 TRP A 336 -8.908 3.109 -7.235 1.00 0.00 H new ATOM 0 HD1 TRP A 336 -8.128 5.195 -8.922 1.00 0.00 H new ATOM 0 HE1 TRP A 336 -6.116 6.801 -8.747 1.00 0.00 H new ATOM 0 HE3 TRP A 336 -7.101 4.573 -3.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 336 -4.344 7.657 -6.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 336 -5.222 5.826 -2.977 1.00 0.00 H new ATOM 0 HH2 TRP A 336 -3.864 7.344 -4.350 1.00 0.00 H new ATOM 201 N ILE A 337 -10.045 6.666 -5.317 1.00 0.00 N ATOM 202 CA ILE A 337 -10.076 7.686 -4.284 1.00 0.00 C ATOM 203 C ILE A 337 -11.506 7.884 -3.783 1.00 0.00 C ATOM 204 O ILE A 337 -11.727 8.325 -2.664 1.00 0.00 O ATOM 205 CB ILE A 337 -9.530 9.022 -4.827 1.00 0.00 C ATOM 206 CG1 ILE A 337 -8.124 8.818 -5.378 1.00 0.00 C ATOM 207 CG2 ILE A 337 -9.523 10.083 -3.733 1.00 0.00 C ATOM 208 CD1 ILE A 337 -7.644 9.940 -6.271 1.00 0.00 C ATOM 0 H ILE A 337 -9.818 7.019 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 337 -9.446 7.356 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 337 -10.180 9.367 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -7.430 8.709 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 337 -8.097 7.884 -5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -9.134 11.018 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -10.539 10.238 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -8.890 9.752 -2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 337 -6.636 9.720 -6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 337 -8.313 10.036 -7.126 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -7.636 10.874 -5.709 1.00 0.00 H new ATOM 220 N ALA A 338 -12.467 7.514 -4.625 1.00 0.00 N ATOM 221 CA ALA A 338 -13.890 7.657 -4.327 1.00 0.00 C ATOM 222 C ALA A 338 -14.272 7.063 -2.964 1.00 0.00 C ATOM 223 O ALA A 338 -15.166 7.573 -2.291 1.00 0.00 O ATOM 224 CB ALA A 338 -14.716 7.016 -5.431 1.00 0.00 C ATOM 0 H ALA A 338 -12.279 7.104 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 338 -14.104 8.725 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 338 -15.776 7.126 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 338 -14.496 7.505 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 338 -14.468 5.957 -5.503 1.00 0.00 H new ATOM 230 N ALA A 339 -13.600 5.988 -2.559 1.00 0.00 N ATOM 231 CA ALA A 339 -13.906 5.361 -1.279 1.00 0.00 C ATOM 232 C ALA A 339 -12.685 4.707 -0.639 1.00 0.00 C ATOM 233 O ALA A 339 -12.814 3.972 0.341 1.00 0.00 O ATOM 234 CB ALA A 339 -15.025 4.344 -1.444 1.00 0.00 C ATOM 0 H ALA A 339 -12.853 5.540 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 339 -14.232 6.153 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 339 -15.243 3.884 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 339 -15.919 4.844 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -14.716 3.575 -2.152 1.00 0.00 H new ATOM 240 N ASN A 340 -11.504 4.972 -1.172 1.00 0.00 N ATOM 241 CA ASN A 340 -10.286 4.381 -0.613 1.00 0.00 C ATOM 242 C ASN A 340 -9.368 5.450 -0.084 1.00 0.00 C ATOM 243 O ASN A 340 -8.399 5.164 0.629 1.00 0.00 O ATOM 244 CB ASN A 340 -9.545 3.535 -1.658 1.00 0.00 C ATOM 245 CG ASN A 340 -10.298 2.278 -2.042 1.00 0.00 C ATOM 246 OD1 ASN A 340 -10.117 1.220 -1.437 1.00 0.00 O ATOM 247 ND2 ASN A 340 -11.142 2.381 -3.047 1.00 0.00 N ATOM 0 H ASN A 340 -11.356 5.581 -1.977 1.00 0.00 H new ATOM 0 HA ASN A 340 -10.588 3.731 0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 340 -9.375 4.137 -2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 340 -8.565 3.260 -1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 340 -11.675 1.566 -3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 340 -11.263 3.276 -3.522 1.00 0.00 H new ATOM 254 N THR A 341 -9.669 6.679 -0.424 1.00 0.00 N ATOM 255 CA THR A 341 -8.845 7.790 -0.024 1.00 0.00 C ATOM 256 C THR A 341 -9.663 9.061 0.084 1.00 0.00 C ATOM 257 O THR A 341 -10.851 9.071 -0.225 1.00 0.00 O ATOM 258 CB THR A 341 -7.708 8.017 -1.035 1.00 0.00 C ATOM 259 OG1 THR A 341 -7.777 7.038 -2.087 1.00 0.00 O ATOM 260 CG2 THR A 341 -6.368 7.925 -0.350 1.00 0.00 C ATOM 0 H THR A 341 -10.485 6.935 -0.981 1.00 0.00 H new ATOM 0 HA THR A 341 -8.424 7.547 0.952 1.00 0.00 H new ATOM 0 HB THR A 341 -7.822 9.014 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 341 -6.894 6.940 -2.501 1.00 0.00 H new ATOM 0 HG21 THR A 341 -5.575 8.088 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 341 -6.305 8.684 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 341 -6.254 6.937 0.095 1.00 0.00 H new ATOM 268 N LYS A 342 -9.029 10.122 0.555 1.00 0.00 N ATOM 269 CA LYS A 342 -9.655 11.426 0.639 1.00 0.00 C ATOM 270 C LYS A 342 -8.619 12.500 0.372 1.00 0.00 C ATOM 271 O LYS A 342 -7.450 12.192 0.122 1.00 0.00 O ATOM 272 CB LYS A 342 -10.353 11.653 2.002 1.00 0.00 C ATOM 273 CG LYS A 342 -11.512 10.696 2.250 1.00 0.00 C ATOM 274 CD LYS A 342 -12.416 11.136 3.396 1.00 0.00 C ATOM 275 CE LYS A 342 -11.702 11.110 4.735 1.00 0.00 C ATOM 276 NZ LYS A 342 -12.659 11.173 5.866 1.00 0.00 N1+ ATOM 0 H LYS A 342 -8.066 10.101 0.889 1.00 0.00 H new ATOM 0 HA LYS A 342 -10.435 11.479 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -9.620 11.541 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -10.721 12.678 2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -12.105 10.610 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -11.116 9.704 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -12.781 12.144 3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -13.288 10.484 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -11.106 10.201 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -11.011 11.950 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -12.135 11.256 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -13.279 12.000 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -13.235 10.308 5.882 1.00 0.00 H new ATOM 290 N GLU A 343 -9.029 13.745 0.420 1.00 0.00 N ATOM 291 CA GLU A 343 -8.128 14.844 0.133 1.00 0.00 C ATOM 292 C GLU A 343 -8.038 15.796 1.307 1.00 0.00 C ATOM 293 O GLU A 343 -8.816 15.702 2.260 1.00 0.00 O ATOM 294 CB GLU A 343 -8.584 15.600 -1.113 1.00 0.00 C ATOM 295 CG GLU A 343 -8.604 14.753 -2.373 1.00 0.00 C ATOM 296 CD GLU A 343 -9.165 15.496 -3.557 1.00 0.00 C ATOM 297 OE1 GLU A 343 -8.395 16.155 -4.267 1.00 0.00 O ATOM 298 OE2 GLU A 343 -10.388 15.418 -3.781 1.00 0.00 O1- ATOM 0 H GLU A 343 -9.981 14.026 0.655 1.00 0.00 H new ATOM 0 HA GLU A 343 -7.139 14.424 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -9.583 15.999 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -7.924 16.453 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -7.591 14.423 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -9.198 13.857 -2.195 1.00 0.00 H new ATOM 305 N CYS A 344 -7.076 16.699 1.235 1.00 0.00 N ATOM 306 CA CYS A 344 -6.879 17.707 2.254 1.00 0.00 C ATOM 307 C CYS A 344 -7.997 18.739 2.195 1.00 0.00 C ATOM 308 O CYS A 344 -8.273 19.291 1.138 1.00 0.00 O ATOM 309 CB CYS A 344 -5.523 18.388 2.050 1.00 0.00 C ATOM 310 SG CYS A 344 -5.142 19.725 3.233 1.00 0.00 S ATOM 0 H CYS A 344 -6.409 16.751 0.465 1.00 0.00 H new ATOM 0 HA CYS A 344 -6.896 17.231 3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 344 -4.741 17.632 2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 344 -5.487 18.797 1.040 1.00 0.00 H new ATOM 315 N PRO A 345 -8.643 19.016 3.324 1.00 0.00 N ATOM 316 CA PRO A 345 -9.718 20.001 3.393 1.00 0.00 C ATOM 317 C PRO A 345 -9.182 21.436 3.392 1.00 0.00 C ATOM 318 O PRO A 345 -9.930 22.394 3.592 1.00 0.00 O ATOM 319 CB PRO A 345 -10.404 19.681 4.719 1.00 0.00 C ATOM 320 CG PRO A 345 -9.336 19.075 5.566 1.00 0.00 C ATOM 321 CD PRO A 345 -8.381 18.385 4.627 1.00 0.00 C ATOM 0 HA PRO A 345 -10.386 19.946 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 345 -10.812 20.581 5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 345 -11.236 18.991 4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 345 -8.822 19.840 6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 345 -9.761 18.366 6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 345 -7.345 18.525 4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 345 -8.561 17.310 4.593 1.00 0.00 H new ATOM 329 N LYS A 346 -7.883 21.572 3.174 1.00 0.00 N ATOM 330 CA LYS A 346 -7.251 22.866 3.136 1.00 0.00 C ATOM 331 C LYS A 346 -6.790 23.218 1.718 1.00 0.00 C ATOM 332 O LYS A 346 -7.161 24.269 1.183 1.00 0.00 O ATOM 333 CB LYS A 346 -6.084 22.920 4.137 1.00 0.00 C ATOM 334 CG LYS A 346 -4.999 23.921 3.772 1.00 0.00 C ATOM 335 CD LYS A 346 -4.135 24.303 4.965 1.00 0.00 C ATOM 336 CE LYS A 346 -4.912 25.094 6.005 1.00 0.00 C ATOM 337 NZ LYS A 346 -5.509 26.324 5.430 1.00 0.00 N1+ ATOM 0 H LYS A 346 -7.247 20.789 3.020 1.00 0.00 H new ATOM 0 HA LYS A 346 -7.986 23.616 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -6.476 23.169 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.638 21.928 4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.368 23.499 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.460 24.818 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -3.732 23.400 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -3.285 24.893 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -5.701 24.468 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -4.249 25.362 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -5.776 26.972 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -4.816 26.789 4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -6.354 26.074 4.878 1.00 0.00 H new ATOM 351 N CYS A 347 -6.001 22.343 1.109 1.00 0.00 N ATOM 352 CA CYS A 347 -5.481 22.602 -0.231 1.00 0.00 C ATOM 353 C CYS A 347 -6.063 21.642 -1.268 1.00 0.00 C ATOM 354 O CYS A 347 -5.846 21.812 -2.472 1.00 0.00 O ATOM 355 CB CYS A 347 -3.953 22.514 -0.227 1.00 0.00 C ATOM 356 SG CYS A 347 -3.286 20.933 0.372 1.00 0.00 S ATOM 0 H CYS A 347 -5.708 21.455 1.515 1.00 0.00 H new ATOM 0 HA CYS A 347 -5.786 23.610 -0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -3.590 22.686 -1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -3.558 23.318 0.394 1.00 0.00 H new ATOM 361 N HIS A 348 -6.801 20.652 -0.795 1.00 0.00 N ATOM 362 CA HIS A 348 -7.400 19.628 -1.648 1.00 0.00 C ATOM 363 C HIS A 348 -6.358 18.859 -2.426 1.00 0.00 C ATOM 364 O HIS A 348 -6.297 18.909 -3.657 1.00 0.00 O ATOM 365 CB HIS A 348 -8.490 20.193 -2.567 1.00 0.00 C ATOM 366 CG HIS A 348 -9.798 20.410 -1.870 1.00 0.00 C ATOM 367 ND1 HIS A 348 -10.887 19.606 -2.122 1.00 0.00 N ATOM 368 CD2 HIS A 348 -10.134 21.328 -0.933 1.00 0.00 C ATOM 369 CE1 HIS A 348 -11.852 20.052 -1.337 1.00 0.00 C ATOM 370 NE2 HIS A 348 -11.443 21.093 -0.601 1.00 0.00 N ATOM 0 H HIS A 348 -7.005 20.531 0.197 1.00 0.00 H new ATOM 0 HA HIS A 348 -7.891 18.921 -0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 348 -8.148 21.139 -2.986 1.00 0.00 H new ATOM 0 HB3 HIS A 348 -8.641 19.510 -3.403 1.00 0.00 H new ATOM 0 HD2 HIS A 348 -9.494 22.097 -0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 348 -12.845 19.630 -1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 348 -12.000 21.612 0.078 1.00 0.00 H new ATOM 378 N VAL A 349 -5.513 18.178 -1.695 1.00 0.00 N ATOM 379 CA VAL A 349 -4.514 17.330 -2.280 1.00 0.00 C ATOM 380 C VAL A 349 -4.810 15.894 -1.885 1.00 0.00 C ATOM 381 O VAL A 349 -5.218 15.633 -0.751 1.00 0.00 O ATOM 382 CB VAL A 349 -3.075 17.727 -1.835 1.00 0.00 C ATOM 383 CG1 VAL A 349 -2.914 17.602 -0.339 1.00 0.00 C ATOM 384 CG2 VAL A 349 -2.026 16.897 -2.559 1.00 0.00 C ATOM 0 H VAL A 349 -5.501 18.198 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 349 -4.551 17.444 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 349 -2.924 18.772 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 349 -1.900 17.885 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 349 -3.626 18.259 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 349 -3.099 16.571 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 349 -1.032 17.197 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 349 -2.180 15.841 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 349 -2.114 17.057 -3.634 1.00 0.00 H new ATOM 394 N THR A 350 -4.649 14.976 -2.812 1.00 0.00 N ATOM 395 CA THR A 350 -4.909 13.586 -2.533 1.00 0.00 C ATOM 396 C THR A 350 -3.925 13.053 -1.498 1.00 0.00 C ATOM 397 O THR A 350 -2.717 13.002 -1.733 1.00 0.00 O ATOM 398 CB THR A 350 -4.828 12.744 -3.812 1.00 0.00 C ATOM 399 OG1 THR A 350 -5.571 13.396 -4.857 1.00 0.00 O ATOM 400 CG2 THR A 350 -5.410 11.360 -3.574 1.00 0.00 C ATOM 0 H THR A 350 -4.339 15.169 -3.764 1.00 0.00 H new ATOM 0 HA THR A 350 -5.920 13.511 -2.132 1.00 0.00 H new ATOM 0 HB THR A 350 -3.782 12.643 -4.102 1.00 0.00 H new ATOM 0 HG1 THR A 350 -5.520 12.862 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 350 -5.345 10.775 -4.492 1.00 0.00 H new ATOM 0 HG22 THR A 350 -4.849 10.860 -2.784 1.00 0.00 H new ATOM 0 HG23 THR A 350 -6.454 11.451 -3.275 1.00 0.00 H new ATOM 408 N ILE A 351 -4.448 12.683 -0.347 1.00 0.00 N ATOM 409 CA ILE A 351 -3.635 12.166 0.726 1.00 0.00 C ATOM 410 C ILE A 351 -3.847 10.666 0.823 1.00 0.00 C ATOM 411 O ILE A 351 -4.363 10.061 -0.105 1.00 0.00 O ATOM 412 CB ILE A 351 -4.004 12.836 2.081 1.00 0.00 C ATOM 413 CG1 ILE A 351 -5.426 12.456 2.495 1.00 0.00 C ATOM 414 CG2 ILE A 351 -3.865 14.355 1.990 1.00 0.00 C ATOM 415 CD1 ILE A 351 -5.942 13.220 3.688 1.00 0.00 C ATOM 0 H ILE A 351 -5.444 12.733 -0.133 1.00 0.00 H new ATOM 0 HA ILE A 351 -2.589 12.387 0.514 1.00 0.00 H new ATOM 0 HB ILE A 351 -3.311 12.473 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 351 -6.096 12.623 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 351 -5.456 11.390 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 351 -4.128 14.802 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 351 -2.836 14.612 1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 351 -4.532 14.736 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 351 -6.956 12.893 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 351 -5.297 13.034 4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 351 -5.947 14.286 3.463 1.00 0.00 H new ATOM 427 N GLU A 352 -3.452 10.072 1.930 1.00 0.00 N ATOM 428 CA GLU A 352 -3.656 8.651 2.147 1.00 0.00 C ATOM 429 C GLU A 352 -3.533 8.339 3.623 1.00 0.00 C ATOM 430 O GLU A 352 -2.532 8.680 4.252 1.00 0.00 O ATOM 431 CB GLU A 352 -2.665 7.817 1.335 1.00 0.00 C ATOM 432 CG GLU A 352 -3.055 6.354 1.239 1.00 0.00 C ATOM 433 CD GLU A 352 -2.098 5.546 0.398 1.00 0.00 C ATOM 434 OE1 GLU A 352 -2.174 5.629 -0.842 1.00 0.00 O ATOM 435 OE2 GLU A 352 -1.270 4.804 0.974 1.00 0.00 O1- ATOM 0 H GLU A 352 -2.985 10.553 2.699 1.00 0.00 H new ATOM 0 HA GLU A 352 -4.658 8.389 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -2.588 8.233 0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 352 -1.677 7.894 1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -3.099 5.928 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -4.057 6.277 0.816 1.00 0.00 H new ATOM 442 N LYS A 353 -4.561 7.710 4.174 1.00 0.00 N ATOM 443 CA LYS A 353 -4.620 7.410 5.598 1.00 0.00 C ATOM 444 C LYS A 353 -3.464 6.514 6.045 1.00 0.00 C ATOM 445 O LYS A 353 -3.037 5.613 5.320 1.00 0.00 O ATOM 446 CB LYS A 353 -5.970 6.783 5.941 1.00 0.00 C ATOM 447 CG LYS A 353 -6.165 6.430 7.410 1.00 0.00 C ATOM 448 CD LYS A 353 -6.186 7.660 8.310 1.00 0.00 C ATOM 449 CE LYS A 353 -6.599 7.281 9.728 1.00 0.00 C ATOM 450 NZ LYS A 353 -7.806 6.404 9.757 1.00 0.00 N1+ ATOM 0 H LYS A 353 -5.376 7.394 3.648 1.00 0.00 H new ATOM 0 HA LYS A 353 -4.516 8.347 6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -6.760 7.472 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -6.094 5.878 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -7.100 5.882 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -5.363 5.764 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -5.200 8.123 8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -6.880 8.399 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -5.771 6.770 10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -6.799 8.188 10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -8.320 6.550 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -8.427 6.641 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -7.514 5.409 9.685 1.00 0.00 H new ATOM 464 N ASP A 354 -2.976 6.781 7.247 1.00 0.00 N ATOM 465 CA ASP A 354 -1.857 6.047 7.820 1.00 0.00 C ATOM 466 C ASP A 354 -2.305 4.687 8.320 1.00 0.00 C ATOM 467 O ASP A 354 -1.765 3.655 7.922 1.00 0.00 O ATOM 468 CB ASP A 354 -1.244 6.846 8.976 1.00 0.00 C ATOM 469 CG ASP A 354 -0.139 6.092 9.685 1.00 0.00 C ATOM 470 OD1 ASP A 354 0.971 6.006 9.135 1.00 0.00 O1- ATOM 471 OD2 ASP A 354 -0.379 5.583 10.805 1.00 0.00 O ATOM 0 H ASP A 354 -3.345 7.513 7.854 1.00 0.00 H new ATOM 0 HA ASP A 354 -1.108 5.902 7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -0.849 7.787 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -2.025 7.097 9.693 1.00 0.00 H new ATOM 476 N GLY A 355 -3.298 4.694 9.185 1.00 0.00 N ATOM 477 CA GLY A 355 -3.810 3.474 9.734 1.00 0.00 C ATOM 478 C GLY A 355 -4.688 3.729 10.927 1.00 0.00 C ATOM 479 O GLY A 355 -5.661 4.475 10.833 1.00 0.00 O ATOM 0 H GLY A 355 -3.762 5.539 9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 355 -4.378 2.941 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 355 -2.981 2.828 10.023 1.00 0.00 H new ATOM 483 N GLY A 356 -4.334 3.145 12.057 1.00 0.00 N ATOM 484 CA GLY A 356 -5.125 3.321 13.259 1.00 0.00 C ATOM 485 C GLY A 356 -5.033 4.732 13.805 1.00 0.00 C ATOM 486 O GLY A 356 -5.948 5.208 14.477 1.00 0.00 O ATOM 0 H GLY A 356 -3.512 2.551 12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 356 -6.167 3.084 13.044 1.00 0.00 H new ATOM 0 HA3 GLY A 356 -4.788 2.617 14.020 1.00 0.00 H new ATOM 490 N SER A 357 -3.925 5.398 13.525 1.00 0.00 N ATOM 491 CA SER A 357 -3.727 6.758 13.978 1.00 0.00 C ATOM 492 C SER A 357 -4.618 7.706 13.196 1.00 0.00 C ATOM 493 O SER A 357 -4.678 7.650 11.966 1.00 0.00 O ATOM 494 CB SER A 357 -2.266 7.153 13.833 1.00 0.00 C ATOM 495 OG SER A 357 -1.427 6.188 14.455 1.00 0.00 O ATOM 0 H SER A 357 -3.149 5.015 12.985 1.00 0.00 H new ATOM 0 HA SER A 357 -3.998 6.821 15.032 1.00 0.00 H new ATOM 0 HB2 SER A 357 -2.010 7.241 12.777 1.00 0.00 H new ATOM 0 HB3 SER A 357 -2.101 8.132 14.283 1.00 0.00 H new ATOM 0 HG SER A 357 -0.490 6.455 14.352 1.00 0.00 H new ATOM 501 N ASN A 358 -5.289 8.582 13.907 1.00 0.00 N ATOM 502 CA ASN A 358 -6.248 9.485 13.306 1.00 0.00 C ATOM 503 C ASN A 358 -5.585 10.786 12.935 1.00 0.00 C ATOM 504 O ASN A 358 -6.114 11.554 12.124 1.00 0.00 O ATOM 505 CB ASN A 358 -7.383 9.762 14.280 1.00 0.00 C ATOM 506 CG ASN A 358 -7.881 8.515 14.977 1.00 0.00 C ATOM 507 OD1 ASN A 358 -7.441 8.201 16.081 1.00 0.00 O ATOM 508 ND2 ASN A 358 -8.788 7.798 14.345 1.00 0.00 N ATOM 0 H ASN A 358 -5.187 8.690 14.916 1.00 0.00 H new ATOM 0 HA ASN A 358 -6.644 9.016 12.406 1.00 0.00 H new ATOM 0 HB2 ASN A 358 -7.046 10.480 15.028 1.00 0.00 H new ATOM 0 HB3 ASN A 358 -8.210 10.226 13.743 1.00 0.00 H new ATOM 0 HD21 ASN A 358 -9.152 6.946 14.771 1.00 0.00 H new ATOM 0 HD22 ASN A 358 -9.126 8.095 13.430 1.00 0.00 H new ATOM 515 N HIS A 359 -4.432 11.040 13.543 1.00 0.00 N ATOM 516 CA HIS A 359 -3.676 12.253 13.290 1.00 0.00 C ATOM 517 C HIS A 359 -3.084 12.211 11.884 1.00 0.00 C ATOM 518 O HIS A 359 -1.937 11.799 11.682 1.00 0.00 O ATOM 519 CB HIS A 359 -2.570 12.415 14.340 1.00 0.00 C ATOM 520 CG HIS A 359 -2.054 13.818 14.492 1.00 0.00 C ATOM 521 ND1 HIS A 359 -1.439 14.225 15.648 1.00 0.00 N ATOM 522 CD2 HIS A 359 -2.083 14.857 13.618 1.00 0.00 C ATOM 523 CE1 HIS A 359 -1.112 15.490 15.459 1.00 0.00 C ATOM 524 NE2 HIS A 359 -1.481 15.915 14.250 1.00 0.00 N ATOM 0 H HIS A 359 -4.000 10.412 14.221 1.00 0.00 H new ATOM 0 HA HIS A 359 -4.343 13.112 13.361 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -2.949 12.075 15.304 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -1.738 11.762 14.076 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -2.498 14.851 12.621 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -0.609 16.104 16.192 1.00 0.00 H new ATOM 0 HE2 HIS A 359 -1.342 16.850 13.868 1.00 0.00 H new ATOM 532 N MET A 360 -3.893 12.597 10.929 1.00 0.00 N ATOM 533 CA MET A 360 -3.516 12.602 9.531 1.00 0.00 C ATOM 534 C MET A 360 -2.876 13.937 9.135 1.00 0.00 C ATOM 535 O MET A 360 -3.418 15.012 9.409 1.00 0.00 O ATOM 536 CB MET A 360 -4.751 12.278 8.662 1.00 0.00 C ATOM 537 CG MET A 360 -4.795 12.986 7.317 1.00 0.00 C ATOM 538 SD MET A 360 -3.536 12.403 6.173 1.00 0.00 S ATOM 539 CE MET A 360 -4.116 10.748 5.876 1.00 0.00 C ATOM 0 H MET A 360 -4.845 12.921 11.099 1.00 0.00 H new ATOM 0 HA MET A 360 -2.764 11.832 9.362 1.00 0.00 H new ATOM 0 HB2 MET A 360 -4.783 11.202 8.490 1.00 0.00 H new ATOM 0 HB3 MET A 360 -5.649 12.539 9.222 1.00 0.00 H new ATOM 0 HG2 MET A 360 -5.779 12.843 6.870 1.00 0.00 H new ATOM 0 HG3 MET A 360 -4.668 14.057 7.473 1.00 0.00 H new ATOM 0 HE1 MET A 360 -3.326 10.037 6.117 1.00 0.00 H new ATOM 0 HE2 MET A 360 -4.986 10.550 6.502 1.00 0.00 H new ATOM 0 HE3 MET A 360 -4.392 10.642 4.827 1.00 0.00 H new ATOM 549 N VAL A 361 -1.718 13.855 8.496 1.00 0.00 N ATOM 550 CA VAL A 361 -0.988 15.035 8.064 1.00 0.00 C ATOM 551 C VAL A 361 -0.959 15.115 6.536 1.00 0.00 C ATOM 552 O VAL A 361 -0.670 14.120 5.856 1.00 0.00 O ATOM 553 CB VAL A 361 0.468 15.026 8.601 1.00 0.00 C ATOM 554 CG1 VAL A 361 1.182 16.329 8.263 1.00 0.00 C ATOM 555 CG2 VAL A 361 0.489 14.772 10.103 1.00 0.00 C ATOM 0 H VAL A 361 -1.261 12.973 8.264 1.00 0.00 H new ATOM 0 HA VAL A 361 -1.505 15.905 8.468 1.00 0.00 H new ATOM 0 HB VAL A 361 1.002 14.212 8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 361 2.200 16.297 8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 361 1.209 16.459 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 361 0.648 17.165 8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 361 1.520 14.770 10.457 1.00 0.00 H new ATOM 0 HG22 VAL A 361 -0.068 15.558 10.613 1.00 0.00 H new ATOM 0 HG23 VAL A 361 0.031 13.806 10.315 1.00 0.00 H new ATOM 565 N CYS A 362 -1.264 16.303 6.011 1.00 0.00 N ATOM 566 CA CYS A 362 -1.278 16.554 4.570 1.00 0.00 C ATOM 567 C CYS A 362 0.053 16.172 3.926 1.00 0.00 C ATOM 568 O CYS A 362 1.109 16.231 4.565 1.00 0.00 O ATOM 569 CB CYS A 362 -1.585 18.027 4.304 1.00 0.00 C ATOM 570 SG CYS A 362 -1.682 18.479 2.548 1.00 0.00 S ATOM 0 H CYS A 362 -1.508 17.118 6.574 1.00 0.00 H new ATOM 0 HA CYS A 362 -2.056 15.934 4.125 1.00 0.00 H new ATOM 0 HB2 CYS A 362 -2.532 18.279 4.782 1.00 0.00 H new ATOM 0 HB3 CYS A 362 -0.816 18.636 4.780 1.00 0.00 H new ATOM 575 N ARG A 363 0.000 15.794 2.660 1.00 0.00 N ATOM 576 CA ARG A 363 1.195 15.367 1.941 1.00 0.00 C ATOM 577 C ARG A 363 1.789 16.535 1.189 1.00 0.00 C ATOM 578 O ARG A 363 2.978 16.540 0.865 1.00 0.00 O ATOM 579 CB ARG A 363 0.878 14.252 0.942 1.00 0.00 C ATOM 580 CG ARG A 363 -0.304 13.364 1.318 1.00 0.00 C ATOM 581 CD ARG A 363 -0.150 12.731 2.700 1.00 0.00 C ATOM 582 NE ARG A 363 0.999 11.832 2.783 1.00 0.00 N ATOM 583 CZ ARG A 363 1.802 11.738 3.851 1.00 0.00 C ATOM 584 NH1 ARG A 363 1.585 12.500 4.924 1.00 0.00 N1+ ATOM 585 NH2 ARG A 363 2.813 10.880 3.852 1.00 0.00 N ATOM 0 H ARG A 363 -0.856 15.773 2.106 1.00 0.00 H new ATOM 0 HA ARG A 363 1.904 14.989 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 363 0.679 14.702 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.762 13.625 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 363 -1.219 13.955 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 363 -0.413 12.577 0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 363 -0.045 13.518 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 363 -1.057 12.179 2.945 1.00 0.00 H new ATOM 0 HE ARG A 363 1.202 11.239 1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 363 0.805 13.157 4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 363 2.199 12.425 5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 363 2.981 10.289 3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 363 3.423 10.811 4.667 1.00 0.00 H new ATOM 599 N ASN A 364 0.953 17.517 0.893 1.00 0.00 N ATOM 600 CA ASN A 364 1.387 18.701 0.173 1.00 0.00 C ATOM 601 C ASN A 364 2.436 19.449 0.976 1.00 0.00 C ATOM 602 O ASN A 364 2.181 19.897 2.087 1.00 0.00 O ATOM 603 CB ASN A 364 0.187 19.606 -0.154 1.00 0.00 C ATOM 604 CG ASN A 364 0.570 20.901 -0.855 1.00 0.00 C ATOM 605 OD1 ASN A 364 1.647 21.015 -1.449 1.00 0.00 O ATOM 606 ND2 ASN A 364 -0.321 21.874 -0.815 1.00 0.00 N ATOM 0 H ASN A 364 -0.036 17.516 1.143 1.00 0.00 H new ATOM 0 HA ASN A 364 1.838 18.392 -0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 364 -0.511 19.055 -0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 364 -0.339 19.845 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 364 -0.131 22.759 -1.285 1.00 0.00 H new ATOM 0 HD22 ASN A 364 -1.199 21.741 -0.314 1.00 0.00 H new ATOM 613 N GLN A 365 3.620 19.561 0.403 1.00 0.00 N ATOM 614 CA GLN A 365 4.750 20.241 1.042 1.00 0.00 C ATOM 615 C GLN A 365 4.502 21.735 1.187 1.00 0.00 C ATOM 616 O GLN A 365 5.254 22.433 1.851 1.00 0.00 O ATOM 617 CB GLN A 365 6.040 20.003 0.259 1.00 0.00 C ATOM 618 CG GLN A 365 5.870 20.113 -1.244 1.00 0.00 C ATOM 619 CD GLN A 365 5.678 18.766 -1.918 1.00 0.00 C ATOM 620 OE1 GLN A 365 5.217 17.782 -1.166 1.00 0.00 O flip ATOM 621 NE2 GLN A 365 5.980 18.606 -3.096 1.00 0.00 N flip ATOM 0 H GLN A 365 3.834 19.185 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 365 4.855 19.817 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 365 6.790 20.723 0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 365 6.424 19.012 0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 365 5.011 20.748 -1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 365 6.746 20.604 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 365 6.333 19.391 -3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 365 5.879 17.688 -3.528 1.00 0.00 H new ATOM 630 N ASN A 366 3.465 22.218 0.551 1.00 0.00 N ATOM 631 CA ASN A 366 3.085 23.619 0.661 1.00 0.00 C ATOM 632 C ASN A 366 1.946 23.755 1.658 1.00 0.00 C ATOM 633 O ASN A 366 1.317 24.811 1.769 1.00 0.00 O ATOM 634 CB ASN A 366 2.639 24.169 -0.698 1.00 0.00 C ATOM 635 CG ASN A 366 3.697 24.031 -1.768 1.00 0.00 C ATOM 636 OD1 ASN A 366 4.550 24.899 -1.926 1.00 0.00 O ATOM 637 ND2 ASN A 366 3.640 22.945 -2.524 1.00 0.00 N ATOM 0 H ASN A 366 2.860 21.664 -0.055 1.00 0.00 H new ATOM 0 HA ASN A 366 3.950 24.189 1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 366 1.737 23.646 -1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 366 2.376 25.221 -0.589 1.00 0.00 H new ATOM 0 HD21 ASN A 366 4.321 22.807 -3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 366 2.915 22.247 -2.360 1.00 0.00 H new ATOM 644 N CYS A 367 1.692 22.683 2.395 1.00 0.00 N ATOM 645 CA CYS A 367 0.593 22.647 3.329 1.00 0.00 C ATOM 646 C CYS A 367 0.997 21.945 4.609 1.00 0.00 C ATOM 647 O CYS A 367 1.264 22.598 5.625 1.00 0.00 O ATOM 648 CB CYS A 367 -0.591 21.929 2.694 1.00 0.00 C ATOM 649 SG CYS A 367 -2.096 21.885 3.717 1.00 0.00 S ATOM 0 H CYS A 367 2.241 21.824 2.358 1.00 0.00 H new ATOM 0 HA CYS A 367 0.310 23.670 3.576 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -0.827 22.414 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -0.296 20.906 2.463 1.00 0.00 H new ATOM 654 N LYS A 368 1.047 20.611 4.552 1.00 0.00 N ATOM 655 CA LYS A 368 1.400 19.790 5.704 1.00 0.00 C ATOM 656 C LYS A 368 0.441 20.039 6.869 1.00 0.00 C ATOM 657 O LYS A 368 0.829 19.967 8.038 1.00 0.00 O ATOM 658 CB LYS A 368 2.843 20.070 6.105 1.00 0.00 C ATOM 659 CG LYS A 368 3.838 19.705 5.018 1.00 0.00 C ATOM 660 CD LYS A 368 5.144 20.451 5.180 1.00 0.00 C ATOM 661 CE LYS A 368 5.003 21.904 4.759 1.00 0.00 C ATOM 662 NZ LYS A 368 6.211 22.708 5.077 1.00 0.00 N1+ ATOM 0 H LYS A 368 0.844 20.076 3.708 1.00 0.00 H new ATOM 0 HA LYS A 368 1.310 18.738 5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 368 2.949 21.127 6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 368 3.079 19.510 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 368 4.027 18.632 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 368 3.409 19.930 4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 368 5.468 20.401 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 368 5.917 19.970 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 368 4.811 21.951 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 368 4.138 22.341 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 6.064 23.691 4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 6.382 22.687 6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 7.034 22.310 4.581 1.00 0.00 H new ATOM 676 N ALA A 369 -0.814 20.321 6.532 1.00 0.00 N ATOM 677 CA ALA A 369 -1.849 20.576 7.520 1.00 0.00 C ATOM 678 C ALA A 369 -2.131 19.338 8.355 1.00 0.00 C ATOM 679 O ALA A 369 -2.085 18.216 7.855 1.00 0.00 O ATOM 680 CB ALA A 369 -3.127 21.044 6.837 1.00 0.00 C ATOM 0 H ALA A 369 -1.139 20.378 5.567 1.00 0.00 H new ATOM 0 HA ALA A 369 -1.490 21.361 8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 369 -3.894 21.231 7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 369 -2.929 21.962 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 369 -3.475 20.274 6.148 1.00 0.00 H new ATOM 686 N GLU A 370 -2.419 19.546 9.616 1.00 0.00 N ATOM 687 CA GLU A 370 -2.724 18.457 10.514 1.00 0.00 C ATOM 688 C GLU A 370 -4.198 18.471 10.849 1.00 0.00 C ATOM 689 O GLU A 370 -4.678 19.362 11.557 1.00 0.00 O ATOM 690 CB GLU A 370 -1.898 18.570 11.781 1.00 0.00 C ATOM 691 CG GLU A 370 -0.406 18.462 11.543 1.00 0.00 C ATOM 692 CD GLU A 370 0.384 18.658 12.804 1.00 0.00 C ATOM 693 OE1 GLU A 370 -0.039 18.150 13.857 1.00 0.00 O1- ATOM 694 OE2 GLU A 370 1.428 19.339 12.755 1.00 0.00 O ATOM 0 H GLU A 370 -2.449 20.469 10.048 1.00 0.00 H new ATOM 0 HA GLU A 370 -2.477 17.515 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -2.113 19.525 12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -2.204 17.788 12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -0.177 17.484 11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -0.102 19.206 10.806 1.00 0.00 H new ATOM 701 N PHE A 371 -4.914 17.498 10.341 1.00 0.00 N ATOM 702 CA PHE A 371 -6.345 17.441 10.534 1.00 0.00 C ATOM 703 C PHE A 371 -6.807 16.043 10.885 1.00 0.00 C ATOM 704 O PHE A 371 -6.084 15.059 10.691 1.00 0.00 O ATOM 705 CB PHE A 371 -7.078 17.944 9.277 1.00 0.00 C ATOM 706 CG PHE A 371 -6.599 17.326 7.993 1.00 0.00 C ATOM 707 CD1 PHE A 371 -5.554 17.896 7.282 1.00 0.00 C ATOM 708 CD2 PHE A 371 -7.193 16.178 7.494 1.00 0.00 C ATOM 709 CE1 PHE A 371 -5.111 17.335 6.105 1.00 0.00 C ATOM 710 CE2 PHE A 371 -6.753 15.615 6.314 1.00 0.00 C ATOM 711 CZ PHE A 371 -5.710 16.194 5.619 1.00 0.00 C ATOM 0 H PHE A 371 -4.529 16.732 9.789 1.00 0.00 H new ATOM 0 HA PHE A 371 -6.589 18.092 11.373 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -8.144 17.744 9.388 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -6.962 19.026 9.211 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -5.081 18.792 7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -8.008 15.720 8.034 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -4.295 17.789 5.563 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -7.225 14.721 5.934 1.00 0.00 H new ATOM 0 HZ PHE A 371 -5.364 15.753 4.696 1.00 0.00 H new ATOM 721 N CYS A 372 -8.014 15.963 11.398 1.00 0.00 N ATOM 722 CA CYS A 372 -8.611 14.707 11.752 1.00 0.00 C ATOM 723 C CYS A 372 -9.180 14.058 10.514 1.00 0.00 C ATOM 724 O CYS A 372 -10.171 14.517 9.983 1.00 0.00 O ATOM 725 CB CYS A 372 -9.723 14.931 12.776 1.00 0.00 C ATOM 726 SG CYS A 372 -10.540 13.402 13.358 1.00 0.00 S ATOM 0 H CYS A 372 -8.606 16.773 11.580 1.00 0.00 H new ATOM 0 HA CYS A 372 -7.854 14.056 12.189 1.00 0.00 H new ATOM 0 HB2 CYS A 372 -9.307 15.455 13.636 1.00 0.00 H new ATOM 0 HB3 CYS A 372 -10.476 15.586 12.338 1.00 0.00 H new ATOM 731 N TRP A 373 -8.535 13.013 10.043 1.00 0.00 N ATOM 732 CA TRP A 373 -9.006 12.287 8.864 1.00 0.00 C ATOM 733 C TRP A 373 -10.455 11.810 9.036 1.00 0.00 C ATOM 734 O TRP A 373 -11.219 11.760 8.066 1.00 0.00 O ATOM 735 CB TRP A 373 -8.085 11.087 8.589 1.00 0.00 C ATOM 736 CG TRP A 373 -8.682 10.038 7.689 1.00 0.00 C ATOM 737 CD1 TRP A 373 -9.545 9.052 8.057 1.00 0.00 C ATOM 738 CD2 TRP A 373 -8.454 9.865 6.289 1.00 0.00 C ATOM 739 NE1 TRP A 373 -9.868 8.279 6.977 1.00 0.00 N ATOM 740 CE2 TRP A 373 -9.213 8.753 5.880 1.00 0.00 C ATOM 741 CE3 TRP A 373 -7.688 10.538 5.342 1.00 0.00 C ATOM 742 CZ2 TRP A 373 -9.225 8.300 4.565 1.00 0.00 C ATOM 743 CZ3 TRP A 373 -7.701 10.087 4.038 1.00 0.00 C ATOM 744 CH2 TRP A 373 -8.464 8.980 3.661 1.00 0.00 C ATOM 0 H TRP A 373 -7.679 12.639 10.454 1.00 0.00 H new ATOM 0 HA TRP A 373 -8.980 12.970 8.015 1.00 0.00 H new ATOM 0 HB2 TRP A 373 -7.160 11.450 8.140 1.00 0.00 H new ATOM 0 HB3 TRP A 373 -7.818 10.624 9.539 1.00 0.00 H new ATOM 0 HD1 TRP A 373 -9.921 8.902 9.058 1.00 0.00 H new ATOM 0 HE1 TRP A 373 -10.498 7.477 6.990 1.00 0.00 H new ATOM 0 HE3 TRP A 373 -7.095 11.396 5.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 373 -9.814 7.443 4.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 373 -7.109 10.600 3.294 1.00 0.00 H new ATOM 0 HH2 TRP A 373 -8.451 8.655 2.631 1.00 0.00 H new ATOM 755 N VAL A 374 -10.817 11.478 10.265 1.00 0.00 N ATOM 756 CA VAL A 374 -12.134 10.926 10.581 1.00 0.00 C ATOM 757 C VAL A 374 -13.267 11.827 10.090 1.00 0.00 C ATOM 758 O VAL A 374 -14.186 11.367 9.407 1.00 0.00 O ATOM 759 CB VAL A 374 -12.272 10.681 12.104 1.00 0.00 C ATOM 760 CG1 VAL A 374 -13.637 10.113 12.467 1.00 0.00 C ATOM 761 CG2 VAL A 374 -11.173 9.756 12.576 1.00 0.00 C ATOM 0 H VAL A 374 -10.208 11.582 11.076 1.00 0.00 H new ATOM 0 HA VAL A 374 -12.217 9.974 10.056 1.00 0.00 H new ATOM 0 HB VAL A 374 -12.178 11.643 12.608 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -13.691 9.956 13.544 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -14.415 10.813 12.163 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -13.784 9.162 11.954 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -11.275 9.587 13.648 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -11.248 8.804 12.050 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.203 10.209 12.371 1.00 0.00 H new ATOM 771 N CYS A 375 -13.191 13.101 10.415 1.00 0.00 N ATOM 772 CA CYS A 375 -14.225 14.045 10.023 1.00 0.00 C ATOM 773 C CYS A 375 -13.693 15.085 9.044 1.00 0.00 C ATOM 774 O CYS A 375 -14.449 15.939 8.568 1.00 0.00 O ATOM 775 CB CYS A 375 -14.787 14.733 11.261 1.00 0.00 C ATOM 776 SG CYS A 375 -13.512 15.369 12.389 1.00 0.00 S ATOM 0 H CYS A 375 -12.425 13.510 10.950 1.00 0.00 H new ATOM 0 HA CYS A 375 -15.017 13.490 9.519 1.00 0.00 H new ATOM 0 HB2 CYS A 375 -15.426 15.558 10.948 1.00 0.00 H new ATOM 0 HB3 CYS A 375 -15.419 14.028 11.802 1.00 0.00 H new ATOM 781 N LEU A 376 -12.401 14.993 8.737 1.00 0.00 N ATOM 782 CA LEU A 376 -11.716 15.965 7.877 1.00 0.00 C ATOM 783 C LEU A 376 -11.790 17.365 8.475 1.00 0.00 C ATOM 784 O LEU A 376 -11.842 18.364 7.755 1.00 0.00 O ATOM 785 CB LEU A 376 -12.273 15.954 6.444 1.00 0.00 C ATOM 786 CG LEU A 376 -11.826 14.789 5.558 1.00 0.00 C ATOM 787 CD1 LEU A 376 -12.413 14.928 4.163 1.00 0.00 C ATOM 788 CD2 LEU A 376 -10.304 14.722 5.490 1.00 0.00 C ATOM 0 H LEU A 376 -11.797 14.244 9.075 1.00 0.00 H new ATOM 0 HA LEU A 376 -10.669 15.668 7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -13.362 15.946 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -11.986 16.886 5.957 1.00 0.00 H new ATOM 0 HG LEU A 376 -12.193 13.862 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -12.085 14.092 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -13.501 14.929 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -12.074 15.863 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -10.005 13.888 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -9.917 15.652 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -9.901 14.579 6.493 1.00 0.00 H new ATOM 800 N GLY A 377 -11.774 17.430 9.795 1.00 0.00 N ATOM 801 CA GLY A 377 -11.836 18.699 10.469 1.00 0.00 C ATOM 802 C GLY A 377 -10.547 19.021 11.193 1.00 0.00 C ATOM 803 O GLY A 377 -9.575 18.281 11.084 1.00 0.00 O ATOM 0 H GLY A 377 -11.719 16.619 10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -12.050 19.484 9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -12.660 18.690 11.183 1.00 0.00 H new ATOM 807 N PRO A 378 -10.521 20.118 11.946 1.00 0.00 N ATOM 808 CA PRO A 378 -9.333 20.538 12.693 1.00 0.00 C ATOM 809 C PRO A 378 -9.007 19.560 13.823 1.00 0.00 C ATOM 810 O PRO A 378 -9.894 19.121 14.548 1.00 0.00 O ATOM 811 CB PRO A 378 -9.734 21.907 13.260 1.00 0.00 C ATOM 812 CG PRO A 378 -11.224 21.891 13.284 1.00 0.00 C ATOM 813 CD PRO A 378 -11.656 21.025 12.141 1.00 0.00 C ATOM 0 HA PRO A 378 -8.439 20.574 12.071 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -9.324 22.056 14.259 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -9.358 22.718 12.637 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -11.593 21.497 14.231 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -11.625 22.899 13.181 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -12.570 20.479 12.375 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -11.857 21.614 11.246 1.00 0.00 H new ATOM 821 N TRP A 379 -7.740 19.225 13.968 1.00 0.00 N ATOM 822 CA TRP A 379 -7.307 18.264 14.978 1.00 0.00 C ATOM 823 C TRP A 379 -7.336 18.865 16.395 1.00 0.00 C ATOM 824 O TRP A 379 -7.425 18.136 17.384 1.00 0.00 O ATOM 825 CB TRP A 379 -5.899 17.746 14.641 1.00 0.00 C ATOM 826 CG TRP A 379 -5.377 16.736 15.618 1.00 0.00 C ATOM 827 CD1 TRP A 379 -4.452 16.947 16.596 1.00 0.00 C ATOM 828 CD2 TRP A 379 -5.758 15.360 15.714 1.00 0.00 C ATOM 829 NE1 TRP A 379 -4.231 15.786 17.294 1.00 0.00 N ATOM 830 CE2 TRP A 379 -5.019 14.797 16.772 1.00 0.00 C ATOM 831 CE3 TRP A 379 -6.650 14.548 15.012 1.00 0.00 C ATOM 832 CZ2 TRP A 379 -5.149 13.462 17.144 1.00 0.00 C ATOM 833 CZ3 TRP A 379 -6.777 13.224 15.378 1.00 0.00 C ATOM 834 CH2 TRP A 379 -6.030 12.692 16.436 1.00 0.00 C ATOM 0 H TRP A 379 -6.984 19.604 13.398 1.00 0.00 H new ATOM 0 HA TRP A 379 -8.010 17.431 14.967 1.00 0.00 H new ATOM 0 HB2 TRP A 379 -5.914 17.301 13.646 1.00 0.00 H new ATOM 0 HB3 TRP A 379 -5.211 18.590 14.603 1.00 0.00 H new ATOM 0 HD1 TRP A 379 -3.964 17.890 16.793 1.00 0.00 H new ATOM 0 HE1 TRP A 379 -3.584 15.678 18.075 1.00 0.00 H new ATOM 0 HE3 TRP A 379 -7.231 14.950 14.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 379 -4.576 13.050 17.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 379 -7.464 12.588 14.840 1.00 0.00 H new ATOM 0 HH2 TRP A 379 -6.152 11.652 16.699 1.00 0.00 H new ATOM 845 N GLU A 380 -7.283 20.185 16.484 1.00 0.00 N ATOM 846 CA GLU A 380 -7.254 20.874 17.780 1.00 0.00 C ATOM 847 C GLU A 380 -8.449 20.512 18.707 1.00 0.00 C ATOM 848 O GLU A 380 -8.227 20.115 19.851 1.00 0.00 O ATOM 849 CB GLU A 380 -7.127 22.384 17.593 1.00 0.00 C ATOM 850 CG GLU A 380 -5.767 22.808 17.071 1.00 0.00 C ATOM 851 CD GLU A 380 -5.714 24.264 16.693 1.00 0.00 C ATOM 852 OE1 GLU A 380 -5.455 25.105 17.583 1.00 0.00 O ATOM 853 OE2 GLU A 380 -5.930 24.578 15.507 1.00 0.00 O1- ATOM 0 H GLU A 380 -7.259 20.808 15.677 1.00 0.00 H new ATOM 0 HA GLU A 380 -6.365 20.512 18.296 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -7.897 22.724 16.901 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -7.314 22.879 18.546 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -5.013 22.607 17.832 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -5.512 22.202 16.201 1.00 0.00 H new ATOM 860 N PRO A 381 -9.732 20.641 18.243 1.00 0.00 N ATOM 861 CA PRO A 381 -10.912 20.283 19.071 1.00 0.00 C ATOM 862 C PRO A 381 -10.955 18.793 19.449 1.00 0.00 C ATOM 863 O PRO A 381 -11.774 18.376 20.269 1.00 0.00 O ATOM 864 CB PRO A 381 -12.115 20.624 18.170 1.00 0.00 C ATOM 865 CG PRO A 381 -11.560 20.700 16.791 1.00 0.00 C ATOM 866 CD PRO A 381 -10.137 21.164 16.929 1.00 0.00 C ATOM 0 HA PRO A 381 -10.897 20.819 20.020 1.00 0.00 H new ATOM 0 HB2 PRO A 381 -12.889 19.860 18.241 1.00 0.00 H new ATOM 0 HB3 PRO A 381 -12.571 21.569 18.464 1.00 0.00 H new ATOM 0 HG2 PRO A 381 -11.605 19.728 16.300 1.00 0.00 H new ATOM 0 HG3 PRO A 381 -12.136 21.393 16.178 1.00 0.00 H new ATOM 0 HD2 PRO A 381 -9.508 20.773 16.130 1.00 0.00 H new ATOM 0 HD3 PRO A 381 -10.063 22.251 16.889 1.00 0.00 H new ATOM 874 N HIS A 382 -10.073 18.004 18.855 1.00 0.00 N ATOM 875 CA HIS A 382 -10.037 16.576 19.119 1.00 0.00 C ATOM 876 C HIS A 382 -9.157 16.253 20.310 1.00 0.00 C ATOM 877 O HIS A 382 -8.017 15.804 20.161 1.00 0.00 O ATOM 878 CB HIS A 382 -9.581 15.802 17.886 1.00 0.00 C ATOM 879 CG HIS A 382 -10.575 15.843 16.778 1.00 0.00 C ATOM 880 ND1 HIS A 382 -10.669 16.864 15.861 1.00 0.00 N ATOM 881 CD2 HIS A 382 -11.554 14.970 16.463 1.00 0.00 C ATOM 882 CE1 HIS A 382 -11.682 16.587 15.039 1.00 0.00 C ATOM 883 NE2 HIS A 382 -12.254 15.444 15.361 1.00 0.00 N ATOM 0 H HIS A 382 -9.374 18.329 18.188 1.00 0.00 H new ATOM 0 HA HIS A 382 -11.053 16.264 19.362 1.00 0.00 H new ATOM 0 HB2 HIS A 382 -8.635 16.213 17.534 1.00 0.00 H new ATOM 0 HB3 HIS A 382 -9.395 14.764 18.163 1.00 0.00 H new ATOM 0 HD1 HIS A 382 -10.069 17.688 15.817 1.00 0.00 H new ATOM 0 HD2 HIS A 382 -11.761 14.048 16.985 1.00 0.00 H new ATOM 0 HE1 HIS A 382 -11.993 17.216 14.218 1.00 0.00 H new ATOM 891 N GLY A 383 -9.687 16.491 21.480 1.00 0.00 N ATOM 892 CA GLY A 383 -8.976 16.214 22.698 1.00 0.00 C ATOM 893 C GLY A 383 -9.919 16.176 23.867 1.00 0.00 C ATOM 894 O GLY A 383 -11.004 15.598 23.774 1.00 0.00 O ATOM 0 H GLY A 383 -10.620 16.881 21.615 1.00 0.00 H new ATOM 0 HA2 GLY A 383 -8.456 15.260 22.613 1.00 0.00 H new ATOM 0 HA3 GLY A 383 -8.216 16.977 22.863 1.00 0.00 H new ATOM 898 N SER A 384 -9.532 16.795 24.959 1.00 0.00 N ATOM 899 CA SER A 384 -10.383 16.858 26.125 1.00 0.00 C ATOM 900 C SER A 384 -11.404 17.977 25.952 1.00 0.00 C ATOM 901 O SER A 384 -11.241 19.075 26.489 1.00 0.00 O ATOM 902 CB SER A 384 -9.541 17.093 27.378 1.00 0.00 C ATOM 903 OG SER A 384 -8.453 16.184 27.433 1.00 0.00 O ATOM 0 H SER A 384 -8.632 17.263 25.064 1.00 0.00 H new ATOM 0 HA SER A 384 -10.911 15.911 26.238 1.00 0.00 H new ATOM 0 HB2 SER A 384 -9.166 18.116 27.383 1.00 0.00 H new ATOM 0 HB3 SER A 384 -10.162 16.977 28.266 1.00 0.00 H new ATOM 0 HG SER A 384 -7.926 16.353 28.242 1.00 0.00 H new ATOM 909 N ALA A 385 -12.438 17.707 25.174 1.00 0.00 N ATOM 910 CA ALA A 385 -13.448 18.702 24.893 1.00 0.00 C ATOM 911 C ALA A 385 -14.810 18.066 24.671 1.00 0.00 C ATOM 912 O ALA A 385 -14.975 16.852 24.796 1.00 0.00 O ATOM 913 CB ALA A 385 -13.047 19.531 23.674 1.00 0.00 C ATOM 0 H ALA A 385 -12.597 16.804 24.727 1.00 0.00 H new ATOM 0 HA ALA A 385 -13.523 19.356 25.762 1.00 0.00 H new ATOM 0 HB1 ALA A 385 -13.816 20.277 23.472 1.00 0.00 H new ATOM 0 HB2 ALA A 385 -12.099 20.031 23.870 1.00 0.00 H new ATOM 0 HB3 ALA A 385 -12.940 18.877 22.808 1.00 0.00 H new ATOM 919 N TRP A 386 -15.774 18.905 24.338 1.00 0.00 N ATOM 920 CA TRP A 386 -17.142 18.482 24.087 1.00 0.00 C ATOM 921 C TRP A 386 -17.252 17.813 22.724 1.00 0.00 C ATOM 922 O TRP A 386 -18.119 16.971 22.497 1.00 0.00 O ATOM 923 CB TRP A 386 -18.066 19.713 24.105 1.00 0.00 C ATOM 924 CG TRP A 386 -17.838 20.622 22.924 1.00 0.00 C ATOM 925 CD1 TRP A 386 -16.787 21.474 22.733 1.00 0.00 C ATOM 926 CD2 TRP A 386 -18.663 20.742 21.759 1.00 0.00 C ATOM 927 NE1 TRP A 386 -16.909 22.111 21.530 1.00 0.00 N ATOM 928 CE2 TRP A 386 -18.050 21.685 20.913 1.00 0.00 C ATOM 929 CE3 TRP A 386 -19.858 20.145 21.350 1.00 0.00 C ATOM 930 CZ2 TRP A 386 -18.589 22.042 19.685 1.00 0.00 C ATOM 931 CZ3 TRP A 386 -20.394 20.503 20.129 1.00 0.00 C ATOM 932 CH2 TRP A 386 -19.758 21.443 19.308 1.00 0.00 C ATOM 0 H TRP A 386 -15.629 19.909 24.233 1.00 0.00 H new ATOM 0 HA TRP A 386 -17.434 17.773 24.861 1.00 0.00 H new ATOM 0 HB2 TRP A 386 -19.105 19.384 24.111 1.00 0.00 H new ATOM 0 HB3 TRP A 386 -17.904 20.272 25.027 1.00 0.00 H new ATOM 0 HD1 TRP A 386 -15.977 21.623 23.432 1.00 0.00 H new ATOM 0 HE1 TRP A 386 -16.253 22.795 21.153 1.00 0.00 H new ATOM 0 HE3 TRP A 386 -20.353 19.418 21.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 386 -18.102 22.767 19.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 386 -21.319 20.051 19.802 1.00 0.00 H new ATOM 0 HH2 TRP A 386 -20.201 21.700 18.357 1.00 0.00 H new ATOM 943 N TYR A 387 -16.365 18.209 21.821 1.00 0.00 N ATOM 944 CA TYR A 387 -16.407 17.765 20.451 1.00 0.00 C ATOM 945 C TYR A 387 -16.149 16.271 20.332 1.00 0.00 C ATOM 946 O TYR A 387 -15.010 15.810 20.415 1.00 0.00 O ATOM 947 CB TYR A 387 -15.411 18.557 19.600 1.00 0.00 C ATOM 948 CG TYR A 387 -15.582 18.318 18.119 1.00 0.00 C ATOM 949 CD1 TYR A 387 -16.506 19.044 17.383 1.00 0.00 C ATOM 950 CD2 TYR A 387 -14.841 17.346 17.463 1.00 0.00 C ATOM 951 CE1 TYR A 387 -16.689 18.806 16.037 1.00 0.00 C ATOM 952 CE2 TYR A 387 -15.012 17.107 16.118 1.00 0.00 C ATOM 953 CZ TYR A 387 -15.938 17.837 15.409 1.00 0.00 C ATOM 954 OH TYR A 387 -16.128 17.583 14.071 1.00 0.00 O ATOM 0 H TYR A 387 -15.598 18.849 22.027 1.00 0.00 H new ATOM 0 HA TYR A 387 -17.413 17.951 20.076 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -15.529 19.621 19.807 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -14.396 18.286 19.892 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -17.092 19.808 17.872 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -14.117 16.767 18.017 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -17.417 19.376 15.479 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -14.422 16.350 15.622 1.00 0.00 H new ATOM 0 HH TYR A 387 -15.518 16.872 13.783 1.00 0.00 H new ATOM 964 N ASN A 388 -17.215 15.521 20.149 1.00 0.00 N ATOM 965 CA ASN A 388 -17.115 14.088 20.000 1.00 0.00 C ATOM 966 C ASN A 388 -16.762 13.729 18.570 1.00 0.00 C ATOM 967 O ASN A 388 -17.215 14.372 17.618 1.00 0.00 O ATOM 968 CB ASN A 388 -18.424 13.396 20.424 1.00 0.00 C ATOM 969 CG ASN A 388 -19.629 13.856 19.620 1.00 0.00 C ATOM 970 OD1 ASN A 388 -20.275 14.846 19.966 1.00 0.00 O ATOM 971 ND2 ASN A 388 -19.949 13.140 18.557 1.00 0.00 N ATOM 0 H ASN A 388 -18.167 15.885 20.100 1.00 0.00 H new ATOM 0 HA ASN A 388 -16.319 13.733 20.655 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -18.311 12.318 20.313 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -18.605 13.590 21.481 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -20.756 13.401 17.991 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -19.389 12.326 18.303 1.00 0.00 H new ATOM 978 N CYS A 389 -15.936 12.720 18.424 1.00 0.00 N ATOM 979 CA CYS A 389 -15.527 12.251 17.126 1.00 0.00 C ATOM 980 C CYS A 389 -15.364 10.758 17.176 1.00 0.00 C ATOM 981 O CYS A 389 -14.979 10.204 18.216 1.00 0.00 O ATOM 982 CB CYS A 389 -14.218 12.910 16.700 1.00 0.00 C ATOM 983 SG CYS A 389 -13.686 12.504 15.009 1.00 0.00 S ATOM 0 H CYS A 389 -15.530 12.203 19.203 1.00 0.00 H new ATOM 0 HA CYS A 389 -16.289 12.515 16.393 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -14.326 13.991 16.784 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -13.433 12.613 17.396 1.00 0.00 H new ATOM 988 N ASN A 390 -15.602 10.109 16.051 1.00 0.00 N ATOM 989 CA ASN A 390 -15.540 8.648 15.970 1.00 0.00 C ATOM 990 C ASN A 390 -14.121 8.142 16.114 1.00 0.00 C ATOM 991 O ASN A 390 -13.871 6.943 16.059 1.00 0.00 O ATOM 992 CB ASN A 390 -16.141 8.140 14.654 1.00 0.00 C ATOM 993 CG ASN A 390 -17.603 8.503 14.491 1.00 0.00 C ATOM 994 OD1 ASN A 390 -18.337 8.648 15.472 1.00 0.00 O ATOM 995 ND2 ASN A 390 -18.037 8.650 13.252 1.00 0.00 N ATOM 0 H ASN A 390 -15.842 10.567 15.172 1.00 0.00 H new ATOM 0 HA ASN A 390 -16.130 8.259 16.800 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -15.575 8.553 13.819 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -16.034 7.056 14.607 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -19.012 8.892 13.079 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -17.397 8.521 12.469 1.00 0.00 H new ATOM 1002 N ARG A 391 -13.201 9.055 16.304 1.00 0.00 N ATOM 1003 CA ARG A 391 -11.820 8.690 16.468 1.00 0.00 C ATOM 1004 C ARG A 391 -11.532 8.243 17.896 1.00 0.00 C ATOM 1005 O ARG A 391 -10.564 7.526 18.143 1.00 0.00 O ATOM 1006 CB ARG A 391 -10.870 9.816 15.992 1.00 0.00 C ATOM 1007 CG ARG A 391 -10.915 11.122 16.767 1.00 0.00 C ATOM 1008 CD ARG A 391 -10.095 11.047 18.030 1.00 0.00 C ATOM 1009 NE ARG A 391 -8.753 10.510 17.789 1.00 0.00 N ATOM 1010 CZ ARG A 391 -7.794 10.433 18.711 1.00 0.00 C ATOM 1011 NH1 ARG A 391 -7.974 10.962 19.913 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 391 -6.649 9.836 18.423 1.00 0.00 N ATOM 0 H ARG A 391 -13.386 10.057 16.349 1.00 0.00 H new ATOM 0 HA ARG A 391 -11.623 7.832 15.825 1.00 0.00 H new ATOM 0 HB2 ARG A 391 -9.849 9.436 16.025 1.00 0.00 H new ATOM 0 HB3 ARG A 391 -11.096 10.032 14.948 1.00 0.00 H new ATOM 0 HG2 ARG A 391 -10.543 11.931 16.139 1.00 0.00 H new ATOM 0 HG3 ARG A 391 -11.948 11.362 17.017 1.00 0.00 H new ATOM 0 HD2 ARG A 391 -10.013 12.042 18.467 1.00 0.00 H new ATOM 0 HD3 ARG A 391 -10.610 10.420 18.758 1.00 0.00 H new ATOM 0 HE ARG A 391 -8.538 10.172 16.851 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -8.851 11.432 20.137 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -7.235 10.899 20.614 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -6.501 9.436 17.497 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -5.914 9.776 19.127 1.00 0.00 H new ATOM 1026 N TYR A 392 -12.378 8.657 18.836 1.00 0.00 N ATOM 1027 CA TYR A 392 -12.210 8.241 20.221 1.00 0.00 C ATOM 1028 C TYR A 392 -13.541 7.887 20.873 1.00 0.00 C ATOM 1029 O TYR A 392 -13.621 6.946 21.658 1.00 0.00 O ATOM 1030 CB TYR A 392 -11.493 9.315 21.042 1.00 0.00 C ATOM 1031 CG TYR A 392 -12.323 10.544 21.349 1.00 0.00 C ATOM 1032 CD1 TYR A 392 -12.459 11.569 20.427 1.00 0.00 C ATOM 1033 CD2 TYR A 392 -12.949 10.682 22.580 1.00 0.00 C ATOM 1034 CE1 TYR A 392 -13.202 12.698 20.720 1.00 0.00 C ATOM 1035 CE2 TYR A 392 -13.687 11.806 22.886 1.00 0.00 C ATOM 1036 CZ TYR A 392 -13.813 12.810 21.956 1.00 0.00 C ATOM 1037 OH TYR A 392 -14.536 13.937 22.272 1.00 0.00 O ATOM 0 H TYR A 392 -13.175 9.271 18.666 1.00 0.00 H new ATOM 0 HA TYR A 392 -11.592 7.343 20.205 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -11.163 8.873 21.982 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -10.597 9.625 20.504 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -11.977 11.485 19.464 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -12.856 9.894 23.312 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -13.304 13.487 19.989 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -14.163 11.897 23.851 1.00 0.00 H new ATOM 0 HH TYR A 392 -14.504 14.567 21.522 1.00 0.00 H new ATOM 1047 N ASN A 393 -14.585 8.631 20.544 1.00 0.00 N ATOM 1048 CA ASN A 393 -15.881 8.418 21.157 1.00 0.00 C ATOM 1049 C ASN A 393 -16.963 8.308 20.103 1.00 0.00 C ATOM 1050 O ASN A 393 -17.387 9.313 19.529 1.00 0.00 O ATOM 1051 CB ASN A 393 -16.217 9.558 22.124 1.00 0.00 C ATOM 1052 CG ASN A 393 -17.522 9.334 22.877 1.00 0.00 C ATOM 1053 OD1 ASN A 393 -17.807 8.090 23.224 1.00 0.00 O flip ATOM 1054 ND2 ASN A 393 -18.254 10.283 23.171 1.00 0.00 N flip ATOM 0 H ASN A 393 -14.558 9.385 19.858 1.00 0.00 H new ATOM 0 HA ASN A 393 -15.836 7.482 21.715 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -15.404 9.670 22.842 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -16.281 10.493 21.567 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -18.001 11.229 22.886 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -19.112 10.121 23.699 1.00 0.00 H new ATOM 1061 N GLU A 394 -17.397 7.096 19.835 1.00 0.00 N ATOM 1062 CA GLU A 394 -18.443 6.867 18.858 1.00 0.00 C ATOM 1063 C GLU A 394 -19.825 7.091 19.470 1.00 0.00 C ATOM 1064 O GLU A 394 -19.941 7.508 20.630 1.00 0.00 O ATOM 1065 CB GLU A 394 -18.320 5.469 18.265 1.00 0.00 C ATOM 1066 CG GLU A 394 -17.057 5.290 17.444 1.00 0.00 C ATOM 1067 CD GLU A 394 -16.917 3.910 16.866 1.00 0.00 C ATOM 1068 OE1 GLU A 394 -17.634 3.597 15.894 1.00 0.00 O ATOM 1069 OE2 GLU A 394 -16.069 3.135 17.359 1.00 0.00 O1- ATOM 0 H GLU A 394 -17.041 6.250 20.281 1.00 0.00 H new ATOM 0 HA GLU A 394 -18.323 7.589 18.051 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -18.332 4.735 19.071 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -19.188 5.267 17.637 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -17.052 6.019 16.633 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -16.191 5.504 18.070 1.00 0.00 H new ATOM 1076 N ASP A 395 -20.866 6.809 18.705 1.00 0.00 N ATOM 1077 CA ASP A 395 -22.229 7.057 19.155 1.00 0.00 C ATOM 1078 C ASP A 395 -22.700 5.962 20.096 1.00 0.00 C ATOM 1079 O ASP A 395 -23.522 6.199 20.978 1.00 0.00 O ATOM 1080 CB ASP A 395 -23.180 7.183 17.962 1.00 0.00 C ATOM 1081 CG ASP A 395 -24.612 7.452 18.382 1.00 0.00 C ATOM 1082 OD1 ASP A 395 -24.898 8.570 18.859 1.00 0.00 O1- ATOM 1083 OD2 ASP A 395 -25.459 6.543 18.245 1.00 0.00 O ATOM 0 H ASP A 395 -20.796 6.408 17.770 1.00 0.00 H new ATOM 0 HA ASP A 395 -22.234 8.000 19.701 1.00 0.00 H new ATOM 0 HB2 ASP A 395 -22.838 7.990 17.314 1.00 0.00 H new ATOM 0 HB3 ASP A 395 -23.144 6.265 17.375 1.00 0.00 H new ATOM 1088 N ASP A 396 -22.178 4.773 19.907 1.00 0.00 N ATOM 1089 CA ASP A 396 -22.524 3.655 20.760 1.00 0.00 C ATOM 1090 C ASP A 396 -21.525 3.533 21.886 1.00 0.00 C ATOM 1091 O ASP A 396 -21.943 3.555 23.057 1.00 0.00 O ATOM 1092 CB ASP A 396 -22.589 2.352 19.975 1.00 0.00 C ATOM 1093 CG ASP A 396 -22.971 1.180 20.862 1.00 0.00 C ATOM 1094 OD1 ASP A 396 -24.159 1.076 21.238 1.00 0.00 O1- ATOM 1095 OD2 ASP A 396 -22.087 0.371 21.207 1.00 0.00 O ATOM 1096 OXT ASP A 396 -20.310 3.469 21.598 1.00 0.00 O ATOM 0 H ASP A 396 -21.510 4.552 19.168 1.00 0.00 H new ATOM 0 HA ASP A 396 -23.514 3.845 21.174 1.00 0.00 H new ATOM 0 HB2 ASP A 396 -23.315 2.449 19.168 1.00 0.00 H new ATOM 0 HB3 ASP A 396 -21.622 2.158 19.512 1.00 0.00 H new TER 1101 ASP A 396 HETATM 1102 ZN ZN A 401 -3.099 20.248 2.499 1.00 0.00 ZN HETATM 1103 ZN ZN A 402 -12.617 14.052 13.844 1.00 0.00 ZN