USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=19 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 Set 1.1: A 364 ASN : amide:sc= 1.74 K(o=2.6,f=-2.9!) USER MOD Set 1.2: A 366 ASN : amide:sc= 0.886 K(o=2.6,f=0.96) USER MOD Set 2.1: A 353 LYS NZ :NH3+ 147:sc= -1.91! (180deg=-5.51!) USER MOD Set 2.2: A 358 ASN : amide:sc= -0.214 K(o=-2.1,f=-4.2!) USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 326 LYS NZ :NH3+ 161:sc= -0.0626 (180deg=-0.346) USER MOD Single : A 327 CYS SG : rot 38:sc= 0.092 USER MOD Single : A 331 SER OG : rot 63:sc= 0.169 USER MOD Single : A 333 THR OG1 : rot -98:sc= 1.21 USER MOD Single : A 334 SER OG : rot 180:sc= 0 USER MOD Single : A 335 ASN : amide:sc= -0.0759 X(o=-0.076,f=0) USER MOD Single : A 340 ASN : amide:sc= 1.11 K(o=1.1,f=-0.0064) USER MOD Single : A 341 THR OG1 : rot -143:sc= -0.252 USER MOD Single : A 342 LYS NZ :NH3+ -167:sc= 1.05 (180deg=0.818) USER MOD Single : A 346 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 348 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 350 THR OG1 : rot -25:sc= 0.33 USER MOD Single : A 357 SER OG : rot 87:sc= 0.908 USER MOD Single : A 359 HIS : no HD1:sc= 0.852 K(o=0.85,f=-3.6!) USER MOD Single : A 360 MET CE :methyl -120:sc= -1.25 (180deg=-5.24!) USER MOD Single : A 365 GLN :FLIP amide:sc= -0.621 F(o=-3.9!,f=-0.62) USER MOD Single : A 368 LYS NZ :NH3+ 136:sc= -0.518! (180deg=-2.8!) USER MOD Single : A 382 HIS : +bothHN:sc= 0.573 K(o=0.57,f=-6.7!) USER MOD Single : A 384 SER OG : rot 15:sc= 0.972 USER MOD Single : A 387 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 ASN : amide:sc= -0.0689 X(o=-0.069,f=-0.34) USER MOD Single : A 390 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.47) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 323 8.490 14.026 -23.489 1.00 0.00 N ATOM 2 CA GLY A 323 7.509 13.126 -24.122 1.00 0.00 C ATOM 3 C GLY A 323 7.025 12.060 -23.166 1.00 0.00 C ATOM 4 O GLY A 323 7.702 11.751 -22.183 1.00 0.00 O ATOM 0 HA2 GLY A 323 6.659 13.708 -24.478 1.00 0.00 H new ATOM 0 HA3 GLY A 323 7.960 12.654 -24.995 1.00 0.00 H new ATOM 10 N SER A 324 5.840 11.510 -23.446 1.00 0.00 N ATOM 11 CA SER A 324 5.236 10.461 -22.621 1.00 0.00 C ATOM 12 C SER A 324 4.986 10.942 -21.187 1.00 0.00 C ATOM 13 O SER A 324 4.837 10.140 -20.269 1.00 0.00 O ATOM 14 CB SER A 324 6.115 9.206 -22.622 1.00 0.00 C ATOM 15 OG SER A 324 6.300 8.722 -23.948 1.00 0.00 O ATOM 0 H SER A 324 5.273 11.779 -24.250 1.00 0.00 H new ATOM 0 HA SER A 324 4.269 10.213 -23.058 1.00 0.00 H new ATOM 0 HB2 SER A 324 7.082 9.433 -22.174 1.00 0.00 H new ATOM 0 HB3 SER A 324 5.654 8.432 -22.008 1.00 0.00 H new ATOM 0 HG SER A 324 6.865 7.922 -23.928 1.00 0.00 H new ATOM 21 N LYS A 325 4.913 12.256 -21.007 1.00 0.00 N ATOM 22 CA LYS A 325 4.681 12.825 -19.689 1.00 0.00 C ATOM 23 C LYS A 325 3.203 13.086 -19.474 1.00 0.00 C ATOM 24 O LYS A 325 2.785 13.529 -18.402 1.00 0.00 O ATOM 25 CB LYS A 325 5.478 14.116 -19.496 1.00 0.00 C ATOM 26 CG LYS A 325 5.127 15.219 -20.484 1.00 0.00 C ATOM 27 CD LYS A 325 5.818 16.527 -20.131 1.00 0.00 C ATOM 28 CE LYS A 325 5.332 17.074 -18.798 1.00 0.00 C ATOM 29 NZ LYS A 325 5.960 18.375 -18.472 1.00 0.00 N1+ ATOM 0 H LYS A 325 5.011 12.943 -21.755 1.00 0.00 H new ATOM 0 HA LYS A 325 5.022 12.101 -18.949 1.00 0.00 H new ATOM 0 HB2 LYS A 325 5.312 14.484 -18.484 1.00 0.00 H new ATOM 0 HB3 LYS A 325 6.541 13.890 -19.583 1.00 0.00 H new ATOM 0 HG2 LYS A 325 5.417 14.913 -21.489 1.00 0.00 H new ATOM 0 HG3 LYS A 325 4.047 15.369 -20.495 1.00 0.00 H new ATOM 0 HD2 LYS A 325 6.896 16.370 -20.090 1.00 0.00 H new ATOM 0 HD3 LYS A 325 5.633 17.261 -20.916 1.00 0.00 H new ATOM 0 HE2 LYS A 325 4.249 17.191 -18.827 1.00 0.00 H new ATOM 0 HE3 LYS A 325 5.554 16.356 -18.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 325 5.602 18.713 -17.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 325 6.992 18.259 -18.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 325 5.727 19.068 -19.212 1.00 0.00 H new ATOM 43 N LYS A 326 2.418 12.811 -20.498 1.00 0.00 N ATOM 44 CA LYS A 326 0.987 12.993 -20.425 1.00 0.00 C ATOM 45 C LYS A 326 0.370 12.049 -19.413 1.00 0.00 C ATOM 46 O LYS A 326 0.669 10.852 -19.389 1.00 0.00 O ATOM 47 CB LYS A 326 0.332 12.784 -21.794 1.00 0.00 C ATOM 48 CG LYS A 326 0.538 13.930 -22.769 1.00 0.00 C ATOM 49 CD LYS A 326 -0.081 15.219 -22.247 1.00 0.00 C ATOM 50 CE LYS A 326 -0.078 16.309 -23.304 1.00 0.00 C ATOM 51 NZ LYS A 326 -0.925 15.951 -24.470 1.00 0.00 N1+ ATOM 0 H LYS A 326 2.753 12.459 -21.395 1.00 0.00 H new ATOM 0 HA LYS A 326 0.806 14.019 -20.105 1.00 0.00 H new ATOM 0 HB2 LYS A 326 0.728 11.870 -22.237 1.00 0.00 H new ATOM 0 HB3 LYS A 326 -0.738 12.632 -21.652 1.00 0.00 H new ATOM 0 HG2 LYS A 326 1.604 14.079 -22.938 1.00 0.00 H new ATOM 0 HG3 LYS A 326 0.095 13.675 -23.732 1.00 0.00 H new ATOM 0 HD2 LYS A 326 -1.104 15.027 -21.924 1.00 0.00 H new ATOM 0 HD3 LYS A 326 0.471 15.560 -21.371 1.00 0.00 H new ATOM 0 HE2 LYS A 326 -0.437 17.240 -22.866 1.00 0.00 H new ATOM 0 HE3 LYS A 326 0.944 16.488 -23.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 -1.160 16.811 -25.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 -0.408 15.291 -25.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 -1.801 15.500 -24.137 1.00 0.00 H new ATOM 65 N CYS A 327 -0.458 12.598 -18.571 1.00 0.00 N ATOM 66 CA CYS A 327 -1.181 11.833 -17.596 1.00 0.00 C ATOM 67 C CYS A 327 -2.646 11.852 -17.973 1.00 0.00 C ATOM 68 O CYS A 327 -3.030 12.544 -18.922 1.00 0.00 O ATOM 69 CB CYS A 327 -0.983 12.433 -16.201 1.00 0.00 C ATOM 70 SG CYS A 327 0.748 12.558 -15.686 1.00 0.00 S ATOM 0 H CYS A 327 -0.652 13.599 -18.542 1.00 0.00 H new ATOM 0 HA CYS A 327 -0.814 10.807 -17.576 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -1.430 13.427 -16.178 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -1.523 11.824 -15.476 1.00 0.00 H new ATOM 0 HG CYS A 327 1.481 12.893 -16.706 1.00 0.00 H new ATOM 76 N ASP A 328 -3.461 11.102 -17.269 1.00 0.00 N ATOM 77 CA ASP A 328 -4.881 11.092 -17.552 1.00 0.00 C ATOM 78 C ASP A 328 -5.480 12.435 -17.213 1.00 0.00 C ATOM 79 O ASP A 328 -6.030 13.110 -18.080 1.00 0.00 O ATOM 80 CB ASP A 328 -5.596 9.976 -16.791 1.00 0.00 C ATOM 81 CG ASP A 328 -5.269 8.605 -17.330 1.00 0.00 C ATOM 82 OD1 ASP A 328 -5.935 8.169 -18.293 1.00 0.00 O1- ATOM 83 OD2 ASP A 328 -4.341 7.962 -16.806 1.00 0.00 O ATOM 0 H ASP A 328 -3.171 10.495 -16.502 1.00 0.00 H new ATOM 0 HA ASP A 328 -5.015 10.899 -18.616 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -5.319 10.024 -15.738 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -6.673 10.136 -16.845 1.00 0.00 H new ATOM 88 N ASP A 329 -5.360 12.822 -15.936 1.00 0.00 N ATOM 89 CA ASP A 329 -5.847 14.123 -15.435 1.00 0.00 C ATOM 90 C ASP A 329 -7.385 14.235 -15.469 1.00 0.00 C ATOM 91 O ASP A 329 -7.969 15.132 -14.857 1.00 0.00 O ATOM 92 CB ASP A 329 -5.185 15.272 -16.210 1.00 0.00 C ATOM 93 CG ASP A 329 -5.687 16.642 -15.805 1.00 0.00 C ATOM 94 OD1 ASP A 329 -5.448 17.057 -14.649 1.00 0.00 O1- ATOM 95 OD2 ASP A 329 -6.319 17.319 -16.648 1.00 0.00 O ATOM 0 H ASP A 329 -4.923 12.245 -15.218 1.00 0.00 H new ATOM 0 HA ASP A 329 -5.561 14.196 -14.386 1.00 0.00 H new ATOM 0 HB2 ASP A 329 -4.107 15.229 -16.057 1.00 0.00 H new ATOM 0 HB3 ASP A 329 -5.361 15.130 -17.276 1.00 0.00 H new ATOM 100 N ASP A 330 -8.029 13.307 -16.165 1.00 0.00 N ATOM 101 CA ASP A 330 -9.483 13.278 -16.272 1.00 0.00 C ATOM 102 C ASP A 330 -10.109 13.048 -14.915 1.00 0.00 C ATOM 103 O ASP A 330 -9.442 12.622 -13.975 1.00 0.00 O ATOM 104 CB ASP A 330 -9.935 12.155 -17.215 1.00 0.00 C ATOM 105 CG ASP A 330 -9.401 12.295 -18.618 1.00 0.00 C ATOM 106 OD1 ASP A 330 -9.926 13.130 -19.377 1.00 0.00 O ATOM 107 OD2 ASP A 330 -8.462 11.554 -18.978 1.00 0.00 O1- ATOM 0 H ASP A 330 -7.560 12.555 -16.670 1.00 0.00 H new ATOM 0 HA ASP A 330 -9.805 14.241 -16.669 1.00 0.00 H new ATOM 0 HB2 ASP A 330 -9.613 11.197 -16.806 1.00 0.00 H new ATOM 0 HB3 ASP A 330 -11.024 12.137 -17.250 1.00 0.00 H new ATOM 112 N SER A 331 -11.395 13.293 -14.816 1.00 0.00 N ATOM 113 CA SER A 331 -12.117 13.075 -13.581 1.00 0.00 C ATOM 114 C SER A 331 -12.334 11.574 -13.338 1.00 0.00 C ATOM 115 O SER A 331 -12.895 11.168 -12.327 1.00 0.00 O ATOM 116 CB SER A 331 -13.444 13.826 -13.626 1.00 0.00 C ATOM 117 OG SER A 331 -14.004 13.769 -14.926 1.00 0.00 O ATOM 0 H SER A 331 -11.968 13.646 -15.582 1.00 0.00 H new ATOM 0 HA SER A 331 -11.528 13.459 -12.748 1.00 0.00 H new ATOM 0 HB2 SER A 331 -14.138 13.393 -12.906 1.00 0.00 H new ATOM 0 HB3 SER A 331 -13.290 14.865 -13.335 1.00 0.00 H new ATOM 0 HG SER A 331 -14.203 12.837 -15.156 1.00 0.00 H new ATOM 123 N GLU A 332 -11.860 10.757 -14.274 1.00 0.00 N ATOM 124 CA GLU A 332 -11.975 9.312 -14.164 1.00 0.00 C ATOM 125 C GLU A 332 -10.784 8.747 -13.396 1.00 0.00 C ATOM 126 O GLU A 332 -10.697 7.542 -13.167 1.00 0.00 O ATOM 127 CB GLU A 332 -12.028 8.666 -15.554 1.00 0.00 C ATOM 128 CG GLU A 332 -12.970 9.352 -16.530 1.00 0.00 C ATOM 129 CD GLU A 332 -14.338 9.609 -15.949 1.00 0.00 C ATOM 130 OE1 GLU A 332 -15.013 8.642 -15.545 1.00 0.00 O ATOM 131 OE2 GLU A 332 -14.748 10.781 -15.901 1.00 0.00 O1- ATOM 0 H GLU A 332 -11.390 11.077 -15.121 1.00 0.00 H new ATOM 0 HA GLU A 332 -12.897 9.086 -13.629 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -11.024 8.663 -15.978 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -12.332 7.625 -15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -12.531 10.299 -16.845 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -13.071 8.735 -17.423 1.00 0.00 H new ATOM 138 N THR A 333 -9.877 9.633 -12.996 1.00 0.00 N ATOM 139 CA THR A 333 -8.668 9.244 -12.306 1.00 0.00 C ATOM 140 C THR A 333 -8.943 8.704 -10.910 1.00 0.00 C ATOM 141 O THR A 333 -8.108 8.010 -10.335 1.00 0.00 O ATOM 142 CB THR A 333 -7.678 10.412 -12.220 1.00 0.00 C ATOM 143 OG1 THR A 333 -8.362 11.609 -11.815 1.00 0.00 O ATOM 144 CG2 THR A 333 -6.998 10.638 -13.559 1.00 0.00 C ATOM 0 H THR A 333 -9.966 10.638 -13.144 1.00 0.00 H new ATOM 0 HA THR A 333 -8.226 8.441 -12.896 1.00 0.00 H new ATOM 0 HB THR A 333 -6.918 10.163 -11.480 1.00 0.00 H new ATOM 0 HG1 THR A 333 -8.575 12.147 -12.606 1.00 0.00 H new ATOM 0 HG21 THR A 333 -6.300 11.471 -13.476 1.00 0.00 H new ATOM 0 HG22 THR A 333 -6.456 9.738 -13.849 1.00 0.00 H new ATOM 0 HG23 THR A 333 -7.749 10.868 -14.314 1.00 0.00 H new ATOM 152 N SER A 334 -10.112 9.008 -10.365 1.00 0.00 N ATOM 153 CA SER A 334 -10.481 8.516 -9.050 1.00 0.00 C ATOM 154 C SER A 334 -11.008 7.096 -9.147 1.00 0.00 C ATOM 155 O SER A 334 -12.112 6.792 -8.703 1.00 0.00 O ATOM 156 CB SER A 334 -11.525 9.415 -8.416 1.00 0.00 C ATOM 157 OG SER A 334 -11.148 10.780 -8.506 1.00 0.00 O ATOM 0 H SER A 334 -10.818 9.592 -10.813 1.00 0.00 H new ATOM 0 HA SER A 334 -9.591 8.520 -8.421 1.00 0.00 H new ATOM 0 HB2 SER A 334 -12.485 9.267 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 334 -11.659 9.140 -7.370 1.00 0.00 H new ATOM 0 HG SER A 334 -11.839 11.338 -8.092 1.00 0.00 H new ATOM 163 N ASN A 335 -10.204 6.235 -9.727 1.00 0.00 N ATOM 164 CA ASN A 335 -10.560 4.851 -9.910 1.00 0.00 C ATOM 165 C ASN A 335 -10.697 4.145 -8.568 1.00 0.00 C ATOM 166 O ASN A 335 -11.627 3.376 -8.351 1.00 0.00 O ATOM 167 CB ASN A 335 -9.507 4.155 -10.782 1.00 0.00 C ATOM 168 CG ASN A 335 -9.718 2.662 -10.886 1.00 0.00 C ATOM 169 OD1 ASN A 335 -10.439 2.182 -11.759 1.00 0.00 O ATOM 170 ND2 ASN A 335 -9.078 1.915 -10.008 1.00 0.00 N ATOM 0 H ASN A 335 -9.281 6.478 -10.086 1.00 0.00 H new ATOM 0 HA ASN A 335 -11.525 4.801 -10.414 1.00 0.00 H new ATOM 0 HB2 ASN A 335 -9.527 4.589 -11.782 1.00 0.00 H new ATOM 0 HB3 ASN A 335 -8.517 4.348 -10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 335 -9.172 0.900 -10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 335 -8.489 2.352 -9.299 1.00 0.00 H new ATOM 177 N TRP A 336 -9.780 4.430 -7.672 1.00 0.00 N ATOM 178 CA TRP A 336 -9.791 3.816 -6.352 1.00 0.00 C ATOM 179 C TRP A 336 -9.885 4.869 -5.260 1.00 0.00 C ATOM 180 O TRP A 336 -10.449 4.626 -4.197 1.00 0.00 O ATOM 181 CB TRP A 336 -8.558 2.913 -6.146 1.00 0.00 C ATOM 182 CG TRP A 336 -7.239 3.599 -6.368 1.00 0.00 C ATOM 183 CD1 TRP A 336 -6.597 3.771 -7.560 1.00 0.00 C ATOM 184 CD2 TRP A 336 -6.393 4.186 -5.370 1.00 0.00 C ATOM 185 NE1 TRP A 336 -5.421 4.447 -7.369 1.00 0.00 N ATOM 186 CE2 TRP A 336 -5.268 4.707 -6.032 1.00 0.00 C ATOM 187 CE3 TRP A 336 -6.482 4.325 -3.983 1.00 0.00 C ATOM 188 CZ2 TRP A 336 -4.239 5.358 -5.353 1.00 0.00 C ATOM 189 CZ3 TRP A 336 -5.460 4.967 -3.312 1.00 0.00 C ATOM 190 CH2 TRP A 336 -4.353 5.478 -3.997 1.00 0.00 C ATOM 0 H TRP A 336 -9.013 5.084 -7.828 1.00 0.00 H new ATOM 0 HA TRP A 336 -10.678 3.186 -6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 336 -8.580 2.515 -5.131 1.00 0.00 H new ATOM 0 HB3 TRP A 336 -8.629 2.062 -6.824 1.00 0.00 H new ATOM 0 HD1 TRP A 336 -6.963 3.424 -8.515 1.00 0.00 H new ATOM 0 HE1 TRP A 336 -4.765 4.714 -8.103 1.00 0.00 H new ATOM 0 HE3 TRP A 336 -7.335 3.937 -3.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 336 -3.383 5.753 -5.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 336 -5.517 5.076 -2.239 1.00 0.00 H new ATOM 0 HH2 TRP A 336 -3.572 5.978 -3.443 1.00 0.00 H new ATOM 201 N ILE A 337 -9.355 6.050 -5.539 1.00 0.00 N ATOM 202 CA ILE A 337 -9.377 7.154 -4.583 1.00 0.00 C ATOM 203 C ILE A 337 -10.817 7.567 -4.253 1.00 0.00 C ATOM 204 O ILE A 337 -11.081 8.140 -3.202 1.00 0.00 O ATOM 205 CB ILE A 337 -8.583 8.370 -5.129 1.00 0.00 C ATOM 206 CG1 ILE A 337 -7.108 8.001 -5.274 1.00 0.00 C ATOM 207 CG2 ILE A 337 -8.739 9.579 -4.215 1.00 0.00 C ATOM 208 CD1 ILE A 337 -6.300 9.003 -6.065 1.00 0.00 C ATOM 0 H ILE A 337 -8.901 6.272 -6.425 1.00 0.00 H new ATOM 0 HA ILE A 337 -8.899 6.810 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 337 -8.984 8.635 -6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -6.670 7.899 -4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 337 -7.033 7.027 -5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -8.173 10.417 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -9.792 9.851 -4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -8.364 9.335 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 337 -5.264 8.670 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 337 -6.711 9.089 -7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -6.342 9.974 -5.572 1.00 0.00 H new ATOM 220 N ALA A 338 -11.744 7.224 -5.143 1.00 0.00 N ATOM 221 CA ALA A 338 -13.157 7.560 -4.978 1.00 0.00 C ATOM 222 C ALA A 338 -13.690 7.155 -3.599 1.00 0.00 C ATOM 223 O ALA A 338 -14.494 7.872 -3.003 1.00 0.00 O ATOM 224 CB ALA A 338 -13.982 6.907 -6.076 1.00 0.00 C ATOM 0 H ALA A 338 -11.539 6.706 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 338 -13.247 8.644 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 338 -15.033 7.164 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 338 -13.641 7.264 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 338 -13.864 5.825 -6.025 1.00 0.00 H new ATOM 230 N ALA A 339 -13.238 6.015 -3.088 1.00 0.00 N ATOM 231 CA ALA A 339 -13.710 5.550 -1.790 1.00 0.00 C ATOM 232 C ALA A 339 -12.596 4.955 -0.934 1.00 0.00 C ATOM 233 O ALA A 339 -12.845 4.493 0.177 1.00 0.00 O ATOM 234 CB ALA A 339 -14.836 4.545 -1.972 1.00 0.00 C ATOM 0 H ALA A 339 -12.558 5.406 -3.543 1.00 0.00 H new ATOM 0 HA ALA A 339 -14.084 6.423 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 339 -15.181 4.204 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 339 -15.662 5.017 -2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -14.474 3.693 -2.547 1.00 0.00 H new ATOM 240 N ASN A 340 -11.374 4.985 -1.430 1.00 0.00 N ATOM 241 CA ASN A 340 -10.251 4.409 -0.683 1.00 0.00 C ATOM 242 C ASN A 340 -9.360 5.486 -0.121 1.00 0.00 C ATOM 243 O ASN A 340 -8.487 5.219 0.695 1.00 0.00 O ATOM 244 CB ASN A 340 -9.427 3.465 -1.564 1.00 0.00 C ATOM 245 CG ASN A 340 -10.154 2.178 -1.890 1.00 0.00 C ATOM 246 OD1 ASN A 340 -10.013 1.171 -1.194 1.00 0.00 O ATOM 247 ND2 ASN A 340 -10.943 2.201 -2.946 1.00 0.00 N ATOM 0 H ASN A 340 -11.126 5.393 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 340 -10.674 3.838 0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 340 -9.169 3.975 -2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 340 -8.491 3.229 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 340 -11.463 1.365 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 340 -11.033 3.055 -3.497 1.00 0.00 H new ATOM 254 N THR A 341 -9.573 6.702 -0.562 1.00 0.00 N ATOM 255 CA THR A 341 -8.761 7.813 -0.115 1.00 0.00 C ATOM 256 C THR A 341 -9.554 9.108 -0.147 1.00 0.00 C ATOM 257 O THR A 341 -10.670 9.149 -0.660 1.00 0.00 O ATOM 258 CB THR A 341 -7.513 7.969 -1.000 1.00 0.00 C ATOM 259 OG1 THR A 341 -7.447 6.892 -1.941 1.00 0.00 O ATOM 260 CG2 THR A 341 -6.256 7.972 -0.154 1.00 0.00 C ATOM 0 H THR A 341 -10.302 6.950 -1.231 1.00 0.00 H new ATOM 0 HA THR A 341 -8.454 7.602 0.909 1.00 0.00 H new ATOM 0 HB THR A 341 -7.585 8.918 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 341 -6.512 6.631 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 341 -5.384 8.083 -0.798 1.00 0.00 H new ATOM 0 HG22 THR A 341 -6.294 8.802 0.551 1.00 0.00 H new ATOM 0 HG23 THR A 341 -6.184 7.033 0.394 1.00 0.00 H new ATOM 268 N LYS A 342 -8.985 10.156 0.416 1.00 0.00 N ATOM 269 CA LYS A 342 -9.605 11.466 0.402 1.00 0.00 C ATOM 270 C LYS A 342 -8.540 12.525 0.221 1.00 0.00 C ATOM 271 O LYS A 342 -7.350 12.204 0.119 1.00 0.00 O ATOM 272 CB LYS A 342 -10.432 11.731 1.682 1.00 0.00 C ATOM 273 CG LYS A 342 -11.609 10.777 1.857 1.00 0.00 C ATOM 274 CD LYS A 342 -12.644 11.286 2.863 1.00 0.00 C ATOM 275 CE LYS A 342 -12.072 11.427 4.268 1.00 0.00 C ATOM 276 NZ LYS A 342 -13.143 11.603 5.281 1.00 0.00 N1+ ATOM 0 H LYS A 342 -8.084 10.124 0.894 1.00 0.00 H new ATOM 0 HA LYS A 342 -10.302 11.504 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -9.778 11.651 2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -10.805 12.755 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -12.092 10.624 0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -11.238 9.806 2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -13.025 12.252 2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -13.491 10.600 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -11.482 10.543 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -11.395 12.281 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -12.723 11.913 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -13.820 12.320 4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -13.638 10.699 5.424 1.00 0.00 H new ATOM 290 N GLU A 343 -8.948 13.768 0.180 1.00 0.00 N ATOM 291 CA GLU A 343 -8.017 14.854 -0.021 1.00 0.00 C ATOM 292 C GLU A 343 -8.114 15.858 1.104 1.00 0.00 C ATOM 293 O GLU A 343 -9.108 15.896 1.836 1.00 0.00 O ATOM 294 CB GLU A 343 -8.251 15.536 -1.374 1.00 0.00 C ATOM 295 CG GLU A 343 -8.062 14.605 -2.562 1.00 0.00 C ATOM 296 CD GLU A 343 -8.131 15.308 -3.896 1.00 0.00 C ATOM 297 OE1 GLU A 343 -9.168 15.931 -4.194 1.00 0.00 O ATOM 298 OE2 GLU A 343 -7.151 15.213 -4.674 1.00 0.00 O1- ATOM 0 H GLU A 343 -9.921 14.056 0.283 1.00 0.00 H new ATOM 0 HA GLU A 343 -7.010 14.436 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -9.262 15.942 -1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -7.567 16.379 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -7.097 14.107 -2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -8.826 13.828 -2.530 1.00 0.00 H new ATOM 305 N CYS A 344 -7.071 16.657 1.249 1.00 0.00 N ATOM 306 CA CYS A 344 -7.011 17.676 2.272 1.00 0.00 C ATOM 307 C CYS A 344 -8.144 18.676 2.102 1.00 0.00 C ATOM 308 O CYS A 344 -8.394 19.158 1.005 1.00 0.00 O ATOM 309 CB CYS A 344 -5.665 18.389 2.208 1.00 0.00 C ATOM 310 SG CYS A 344 -5.452 19.737 3.416 1.00 0.00 S ATOM 0 H CYS A 344 -6.242 16.614 0.657 1.00 0.00 H new ATOM 0 HA CYS A 344 -7.120 17.201 3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 344 -4.874 17.655 2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 344 -5.533 18.795 1.205 1.00 0.00 H new ATOM 315 N PRO A 345 -8.837 19.005 3.185 1.00 0.00 N ATOM 316 CA PRO A 345 -9.931 19.961 3.149 1.00 0.00 C ATOM 317 C PRO A 345 -9.431 21.401 3.055 1.00 0.00 C ATOM 318 O PRO A 345 -10.224 22.347 3.041 1.00 0.00 O ATOM 319 CB PRO A 345 -10.659 19.720 4.470 1.00 0.00 C ATOM 320 CG PRO A 345 -9.616 19.187 5.393 1.00 0.00 C ATOM 321 CD PRO A 345 -8.618 18.456 4.534 1.00 0.00 C ATOM 0 HA PRO A 345 -10.568 19.827 2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 345 -11.093 20.642 4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 345 -11.477 19.010 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 345 -9.135 19.996 5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 345 -10.057 18.517 6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 345 -7.597 18.629 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 345 -8.784 17.379 4.558 1.00 0.00 H new ATOM 329 N LYS A 346 -8.118 21.560 2.989 1.00 0.00 N ATOM 330 CA LYS A 346 -7.512 22.871 2.891 1.00 0.00 C ATOM 331 C LYS A 346 -6.909 23.103 1.501 1.00 0.00 C ATOM 332 O LYS A 346 -7.259 24.072 0.817 1.00 0.00 O ATOM 333 CB LYS A 346 -6.449 23.069 3.994 1.00 0.00 C ATOM 334 CG LYS A 346 -5.330 24.032 3.608 1.00 0.00 C ATOM 335 CD LYS A 346 -4.448 24.429 4.784 1.00 0.00 C ATOM 336 CE LYS A 346 -5.211 25.181 5.854 1.00 0.00 C ATOM 337 NZ LYS A 346 -4.301 25.692 6.910 1.00 0.00 N1+ ATOM 0 H LYS A 346 -7.451 20.789 3.002 1.00 0.00 H new ATOM 0 HA LYS A 346 -8.297 23.612 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -6.939 23.439 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -6.013 22.101 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.712 23.570 2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.767 24.930 3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -4.005 23.534 5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -3.627 25.049 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -5.750 26.014 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -5.957 24.524 6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -4.854 26.202 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -3.806 24.894 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -3.605 26.338 6.486 1.00 0.00 H new ATOM 351 N CYS A 347 -6.018 22.215 1.082 1.00 0.00 N ATOM 352 CA CYS A 347 -5.341 22.378 -0.201 1.00 0.00 C ATOM 353 C CYS A 347 -5.816 21.363 -1.233 1.00 0.00 C ATOM 354 O CYS A 347 -5.412 21.423 -2.401 1.00 0.00 O ATOM 355 CB CYS A 347 -3.829 22.285 -0.020 1.00 0.00 C ATOM 356 SG CYS A 347 -3.261 20.739 0.726 1.00 0.00 S ATOM 0 H CYS A 347 -5.748 21.382 1.604 1.00 0.00 H new ATOM 0 HA CYS A 347 -5.595 23.368 -0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -3.351 22.402 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -3.498 23.117 0.601 1.00 0.00 H new ATOM 361 N HIS A 348 -6.663 20.444 -0.798 1.00 0.00 N ATOM 362 CA HIS A 348 -7.216 19.405 -1.665 1.00 0.00 C ATOM 363 C HIS A 348 -6.127 18.544 -2.277 1.00 0.00 C ATOM 364 O HIS A 348 -6.114 18.298 -3.483 1.00 0.00 O ATOM 365 CB HIS A 348 -8.116 19.999 -2.752 1.00 0.00 C ATOM 366 CG HIS A 348 -9.473 20.382 -2.258 1.00 0.00 C ATOM 367 ND1 HIS A 348 -10.575 19.609 -2.532 1.00 0.00 N ATOM 368 CD2 HIS A 348 -9.849 21.444 -1.511 1.00 0.00 C ATOM 369 CE1 HIS A 348 -11.594 20.214 -1.946 1.00 0.00 C ATOM 370 NE2 HIS A 348 -11.203 21.328 -1.317 1.00 0.00 N ATOM 0 H HIS A 348 -6.990 20.394 0.167 1.00 0.00 H new ATOM 0 HA HIS A 348 -7.831 18.762 -1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 348 -7.630 20.879 -3.174 1.00 0.00 H new ATOM 0 HB3 HIS A 348 -8.223 19.275 -3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 348 -9.209 22.230 -1.139 1.00 0.00 H new ATOM 0 HE1 HIS A 348 -12.612 19.855 -1.972 1.00 0.00 H new ATOM 0 HE2 HIS A 348 -11.798 21.969 -0.793 1.00 0.00 H new ATOM 378 N VAL A 349 -5.223 18.083 -1.448 1.00 0.00 N ATOM 379 CA VAL A 349 -4.159 17.224 -1.903 1.00 0.00 C ATOM 380 C VAL A 349 -4.496 15.784 -1.555 1.00 0.00 C ATOM 381 O VAL A 349 -5.045 15.516 -0.485 1.00 0.00 O ATOM 382 CB VAL A 349 -2.783 17.616 -1.286 1.00 0.00 C ATOM 383 CG1 VAL A 349 -2.776 17.413 0.210 1.00 0.00 C ATOM 384 CG2 VAL A 349 -1.650 16.839 -1.939 1.00 0.00 C ATOM 0 H VAL A 349 -5.204 18.290 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 349 -4.071 17.339 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 349 -2.625 18.677 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 349 -1.802 17.695 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 349 -3.549 18.032 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 349 -2.971 16.365 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 349 -0.701 17.132 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 349 -1.808 15.771 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 349 -1.628 17.056 -3.007 1.00 0.00 H new ATOM 394 N THR A 350 -4.208 14.875 -2.458 1.00 0.00 N ATOM 395 CA THR A 350 -4.476 13.479 -2.224 1.00 0.00 C ATOM 396 C THR A 350 -3.610 12.951 -1.093 1.00 0.00 C ATOM 397 O THR A 350 -2.388 12.825 -1.227 1.00 0.00 O ATOM 398 CB THR A 350 -4.233 12.658 -3.488 1.00 0.00 C ATOM 399 OG1 THR A 350 -4.861 13.318 -4.604 1.00 0.00 O ATOM 400 CG2 THR A 350 -4.814 11.261 -3.339 1.00 0.00 C ATOM 0 H THR A 350 -3.787 15.081 -3.364 1.00 0.00 H new ATOM 0 HA THR A 350 -5.525 13.383 -1.942 1.00 0.00 H new ATOM 0 HB THR A 350 -3.159 12.573 -3.654 1.00 0.00 H new ATOM 0 HG1 THR A 350 -5.596 13.880 -4.280 1.00 0.00 H new ATOM 0 HG21 THR A 350 -4.631 10.692 -4.250 1.00 0.00 H new ATOM 0 HG22 THR A 350 -4.341 10.758 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 350 -5.888 11.330 -3.164 1.00 0.00 H new ATOM 408 N ILE A 351 -4.246 12.669 0.022 1.00 0.00 N ATOM 409 CA ILE A 351 -3.563 12.168 1.181 1.00 0.00 C ATOM 410 C ILE A 351 -3.774 10.669 1.265 1.00 0.00 C ATOM 411 O ILE A 351 -4.133 10.042 0.274 1.00 0.00 O ATOM 412 CB ILE A 351 -4.087 12.850 2.476 1.00 0.00 C ATOM 413 CG1 ILE A 351 -5.560 12.506 2.707 1.00 0.00 C ATOM 414 CG2 ILE A 351 -3.899 14.365 2.401 1.00 0.00 C ATOM 415 CD1 ILE A 351 -6.202 13.288 3.826 1.00 0.00 C ATOM 0 H ILE A 351 -5.252 12.783 0.145 1.00 0.00 H new ATOM 0 HA ILE A 351 -2.500 12.392 1.091 1.00 0.00 H new ATOM 0 HB ILE A 351 -3.508 12.472 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 351 -6.114 12.687 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 351 -5.644 11.442 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 351 -4.272 14.824 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 351 -2.840 14.595 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 351 -4.451 14.758 1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 351 -7.245 12.988 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 351 -5.674 13.089 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 351 -6.151 14.353 3.601 1.00 0.00 H new ATOM 427 N GLU A 352 -3.546 10.099 2.427 1.00 0.00 N ATOM 428 CA GLU A 352 -3.760 8.684 2.628 1.00 0.00 C ATOM 429 C GLU A 352 -3.793 8.381 4.105 1.00 0.00 C ATOM 430 O GLU A 352 -2.904 8.789 4.849 1.00 0.00 O ATOM 431 CB GLU A 352 -2.679 7.867 1.940 1.00 0.00 C ATOM 432 CG GLU A 352 -3.060 6.419 1.726 1.00 0.00 C ATOM 433 CD GLU A 352 -1.988 5.651 0.999 1.00 0.00 C ATOM 434 OE1 GLU A 352 -1.775 5.912 -0.203 1.00 0.00 O ATOM 435 OE2 GLU A 352 -1.349 4.782 1.626 1.00 0.00 O1- ATOM 0 H GLU A 352 -3.210 10.597 3.251 1.00 0.00 H new ATOM 0 HA GLU A 352 -4.717 8.409 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -2.451 8.321 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 352 -1.768 7.910 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -3.251 5.949 2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -3.989 6.369 1.158 1.00 0.00 H new ATOM 442 N LYS A 353 -4.826 7.690 4.529 1.00 0.00 N ATOM 443 CA LYS A 353 -5.022 7.383 5.932 1.00 0.00 C ATOM 444 C LYS A 353 -4.032 6.328 6.420 1.00 0.00 C ATOM 445 O LYS A 353 -3.661 5.414 5.679 1.00 0.00 O ATOM 446 CB LYS A 353 -6.467 6.923 6.169 1.00 0.00 C ATOM 447 CG LYS A 353 -6.857 6.769 7.636 1.00 0.00 C ATOM 448 CD LYS A 353 -6.709 8.078 8.396 1.00 0.00 C ATOM 449 CE LYS A 353 -7.406 8.020 9.749 1.00 0.00 C ATOM 450 NZ LYS A 353 -7.099 9.200 10.586 1.00 0.00 N1+ ATOM 0 H LYS A 353 -5.554 7.325 3.915 1.00 0.00 H new ATOM 0 HA LYS A 353 -4.838 8.290 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -7.143 7.639 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -6.617 5.968 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -7.888 6.423 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -6.233 6.006 8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -5.651 8.299 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -7.127 8.893 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -8.484 7.954 9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -7.101 7.115 10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -7.924 9.431 11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -6.284 8.989 11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -6.872 10.010 9.974 1.00 0.00 H new ATOM 464 N ASP A 354 -3.602 6.482 7.664 1.00 0.00 N ATOM 465 CA ASP A 354 -2.681 5.539 8.300 1.00 0.00 C ATOM 466 C ASP A 354 -3.422 4.275 8.691 1.00 0.00 C ATOM 467 O ASP A 354 -2.905 3.166 8.572 1.00 0.00 O ATOM 468 CB ASP A 354 -2.046 6.179 9.545 1.00 0.00 C ATOM 469 CG ASP A 354 -1.312 5.174 10.420 1.00 0.00 C ATOM 470 OD1 ASP A 354 -0.206 4.745 10.043 1.00 0.00 O ATOM 471 OD2 ASP A 354 -1.843 4.817 11.500 1.00 0.00 O1- ATOM 0 H ASP A 354 -3.878 7.260 8.263 1.00 0.00 H new ATOM 0 HA ASP A 354 -1.893 5.285 7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -1.350 6.957 9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -2.824 6.665 10.134 1.00 0.00 H new ATOM 476 N GLY A 355 -4.640 4.457 9.150 1.00 0.00 N ATOM 477 CA GLY A 355 -5.452 3.348 9.555 1.00 0.00 C ATOM 478 C GLY A 355 -5.910 3.495 10.977 1.00 0.00 C ATOM 479 O GLY A 355 -7.022 3.957 11.233 1.00 0.00 O ATOM 0 H GLY A 355 -5.085 5.369 9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 355 -6.318 3.271 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 355 -4.886 2.422 9.447 1.00 0.00 H new ATOM 483 N GLY A 356 -5.050 3.127 11.903 1.00 0.00 N ATOM 484 CA GLY A 356 -5.382 3.221 13.303 1.00 0.00 C ATOM 485 C GLY A 356 -5.250 4.628 13.834 1.00 0.00 C ATOM 486 O GLY A 356 -6.117 5.101 14.570 1.00 0.00 O ATOM 0 H GLY A 356 -4.118 2.761 11.709 1.00 0.00 H new ATOM 0 HA2 GLY A 356 -6.404 2.873 13.455 1.00 0.00 H new ATOM 0 HA3 GLY A 356 -4.731 2.558 13.873 1.00 0.00 H new ATOM 490 N SER A 357 -4.174 5.308 13.460 1.00 0.00 N ATOM 491 CA SER A 357 -3.939 6.663 13.922 1.00 0.00 C ATOM 492 C SER A 357 -4.968 7.622 13.334 1.00 0.00 C ATOM 493 O SER A 357 -5.169 7.670 12.114 1.00 0.00 O ATOM 494 CB SER A 357 -2.531 7.113 13.549 1.00 0.00 C ATOM 495 OG SER A 357 -1.570 6.140 13.929 1.00 0.00 O ATOM 0 H SER A 357 -3.453 4.941 12.839 1.00 0.00 H new ATOM 0 HA SER A 357 -4.038 6.674 15.007 1.00 0.00 H new ATOM 0 HB2 SER A 357 -2.473 7.286 12.474 1.00 0.00 H new ATOM 0 HB3 SER A 357 -2.307 8.061 14.037 1.00 0.00 H new ATOM 0 HG SER A 357 -1.468 5.482 13.210 1.00 0.00 H new ATOM 501 N ASN A 358 -5.612 8.382 14.194 1.00 0.00 N ATOM 502 CA ASN A 358 -6.625 9.321 13.769 1.00 0.00 C ATOM 503 C ASN A 358 -6.035 10.676 13.470 1.00 0.00 C ATOM 504 O ASN A 358 -6.652 11.485 12.770 1.00 0.00 O ATOM 505 CB ASN A 358 -7.735 9.433 14.804 1.00 0.00 C ATOM 506 CG ASN A 358 -8.849 8.447 14.539 1.00 0.00 C ATOM 507 OD1 ASN A 358 -9.131 8.113 13.388 1.00 0.00 O ATOM 508 ND2 ASN A 358 -9.486 7.973 15.590 1.00 0.00 N ATOM 0 H ASN A 358 -5.449 8.366 15.201 1.00 0.00 H new ATOM 0 HA ASN A 358 -7.057 8.937 12.845 1.00 0.00 H new ATOM 0 HB2 ASN A 358 -7.324 9.259 15.798 1.00 0.00 H new ATOM 0 HB3 ASN A 358 -8.137 10.446 14.798 1.00 0.00 H new ATOM 0 HD21 ASN A 358 -10.245 7.303 15.467 1.00 0.00 H new ATOM 0 HD22 ASN A 358 -9.220 8.276 16.527 1.00 0.00 H new ATOM 515 N HIS A 359 -4.836 10.912 13.980 1.00 0.00 N ATOM 516 CA HIS A 359 -4.133 12.167 13.763 1.00 0.00 C ATOM 517 C HIS A 359 -3.642 12.238 12.319 1.00 0.00 C ATOM 518 O HIS A 359 -2.481 11.947 12.025 1.00 0.00 O ATOM 519 CB HIS A 359 -2.952 12.282 14.743 1.00 0.00 C ATOM 520 CG HIS A 359 -2.388 13.669 14.905 1.00 0.00 C ATOM 521 ND1 HIS A 359 -1.797 14.058 16.082 1.00 0.00 N ATOM 522 CD2 HIS A 359 -2.334 14.699 14.023 1.00 0.00 C ATOM 523 CE1 HIS A 359 -1.400 15.301 15.895 1.00 0.00 C ATOM 524 NE2 HIS A 359 -1.699 15.733 14.666 1.00 0.00 N ATOM 0 H HIS A 359 -4.324 10.242 14.554 1.00 0.00 H new ATOM 0 HA HIS A 359 -4.813 13.000 13.942 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -3.274 11.921 15.720 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -2.155 11.620 14.406 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -2.716 14.704 13.013 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -0.896 15.896 16.642 1.00 0.00 H new ATOM 0 HE2 HIS A 359 -1.495 16.655 14.280 1.00 0.00 H new ATOM 532 N MET A 360 -4.544 12.577 11.425 1.00 0.00 N ATOM 533 CA MET A 360 -4.227 12.682 10.015 1.00 0.00 C ATOM 534 C MET A 360 -3.620 14.042 9.687 1.00 0.00 C ATOM 535 O MET A 360 -4.207 15.090 9.962 1.00 0.00 O ATOM 536 CB MET A 360 -5.470 12.375 9.145 1.00 0.00 C ATOM 537 CG MET A 360 -5.476 13.059 7.779 1.00 0.00 C ATOM 538 SD MET A 360 -4.132 12.515 6.707 1.00 0.00 S ATOM 539 CE MET A 360 -4.667 10.864 6.308 1.00 0.00 C ATOM 0 H MET A 360 -5.516 12.787 11.652 1.00 0.00 H new ATOM 0 HA MET A 360 -3.473 11.931 9.778 1.00 0.00 H new ATOM 0 HB2 MET A 360 -5.536 11.297 8.997 1.00 0.00 H new ATOM 0 HB3 MET A 360 -6.363 12.677 9.692 1.00 0.00 H new ATOM 0 HG2 MET A 360 -6.428 12.863 7.286 1.00 0.00 H new ATOM 0 HG3 MET A 360 -5.406 14.138 7.920 1.00 0.00 H new ATOM 0 HE1 MET A 360 -3.919 10.147 6.646 1.00 0.00 H new ATOM 0 HE2 MET A 360 -5.616 10.659 6.804 1.00 0.00 H new ATOM 0 HE3 MET A 360 -4.795 10.774 5.229 1.00 0.00 H new ATOM 549 N VAL A 361 -2.438 14.007 9.114 1.00 0.00 N ATOM 550 CA VAL A 361 -1.726 15.209 8.745 1.00 0.00 C ATOM 551 C VAL A 361 -1.551 15.263 7.235 1.00 0.00 C ATOM 552 O VAL A 361 -1.236 14.243 6.598 1.00 0.00 O ATOM 553 CB VAL A 361 -0.331 15.271 9.416 1.00 0.00 C ATOM 554 CG1 VAL A 361 0.346 16.608 9.146 1.00 0.00 C ATOM 555 CG2 VAL A 361 -0.442 15.014 10.912 1.00 0.00 C ATOM 0 H VAL A 361 -1.943 13.144 8.891 1.00 0.00 H new ATOM 0 HA VAL A 361 -2.314 16.060 9.087 1.00 0.00 H new ATOM 0 HB VAL A 361 0.288 14.487 8.980 1.00 0.00 H new ATOM 0 HG11 VAL A 361 1.323 16.625 9.628 1.00 0.00 H new ATOM 0 HG12 VAL A 361 0.469 16.743 8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 361 -0.269 17.415 9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 361 0.549 15.062 11.364 1.00 0.00 H new ATOM 0 HG22 VAL A 361 -1.084 15.770 11.364 1.00 0.00 H new ATOM 0 HG23 VAL A 361 -0.870 14.026 11.081 1.00 0.00 H new ATOM 565 N CYS A 362 -1.772 16.440 6.668 1.00 0.00 N ATOM 566 CA CYS A 362 -1.615 16.658 5.242 1.00 0.00 C ATOM 567 C CYS A 362 -0.204 16.304 4.788 1.00 0.00 C ATOM 568 O CYS A 362 0.758 16.408 5.554 1.00 0.00 O ATOM 569 CB CYS A 362 -1.912 18.110 4.903 1.00 0.00 C ATOM 570 SG CYS A 362 -1.846 18.491 3.134 1.00 0.00 S ATOM 0 H CYS A 362 -2.065 17.269 7.185 1.00 0.00 H new ATOM 0 HA CYS A 362 -2.319 16.010 4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 362 -2.903 18.364 5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 362 -1.199 18.746 5.427 1.00 0.00 H new ATOM 575 N ARG A 363 -0.086 15.908 3.540 1.00 0.00 N ATOM 576 CA ARG A 363 1.196 15.507 2.985 1.00 0.00 C ATOM 577 C ARG A 363 1.839 16.688 2.293 1.00 0.00 C ATOM 578 O ARG A 363 3.059 16.756 2.152 1.00 0.00 O ATOM 579 CB ARG A 363 1.026 14.370 1.966 1.00 0.00 C ATOM 580 CG ARG A 363 -0.223 13.509 2.167 1.00 0.00 C ATOM 581 CD ARG A 363 -0.291 12.884 3.561 1.00 0.00 C ATOM 582 NE ARG A 363 0.788 11.937 3.817 1.00 0.00 N ATOM 583 CZ ARG A 363 0.983 11.322 4.986 1.00 0.00 C ATOM 584 NH1 ARG A 363 0.216 11.623 6.036 1.00 0.00 N1+ ATOM 585 NH2 ARG A 363 1.958 10.430 5.115 1.00 0.00 N ATOM 0 H ARG A 363 -0.865 15.854 2.884 1.00 0.00 H new ATOM 0 HA ARG A 363 1.825 15.156 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 363 0.996 14.800 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.905 13.727 2.011 1.00 0.00 H new ATOM 0 HG2 ARG A 363 -1.111 14.120 2.004 1.00 0.00 H new ATOM 0 HG3 ARG A 363 -0.238 12.718 1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 363 -0.257 13.676 4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 363 -1.248 12.376 3.678 1.00 0.00 H new ATOM 0 HE ARG A 363 1.434 11.732 3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 363 -0.520 12.323 5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 363 0.366 11.153 6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 363 2.560 10.214 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 363 2.105 9.961 6.009 1.00 0.00 H new ATOM 599 N ASN A 364 1.006 17.620 1.868 1.00 0.00 N ATOM 600 CA ASN A 364 1.459 18.788 1.146 1.00 0.00 C ATOM 601 C ASN A 364 2.358 19.657 2.012 1.00 0.00 C ATOM 602 O ASN A 364 1.954 20.135 3.066 1.00 0.00 O ATOM 603 CB ASN A 364 0.257 19.585 0.625 1.00 0.00 C ATOM 604 CG ASN A 364 0.641 20.828 -0.147 1.00 0.00 C ATOM 605 OD1 ASN A 364 1.758 20.944 -0.660 1.00 0.00 O ATOM 606 ND2 ASN A 364 -0.293 21.748 -0.263 1.00 0.00 N ATOM 0 H ASN A 364 -0.003 17.586 2.015 1.00 0.00 H new ATOM 0 HA ASN A 364 2.051 18.456 0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 364 -0.345 18.941 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 364 -0.371 19.871 1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 364 -0.108 22.599 -0.794 1.00 0.00 H new ATOM 0 HD22 ASN A 364 -1.202 21.610 0.178 1.00 0.00 H new ATOM 613 N GLN A 365 3.585 19.843 1.551 1.00 0.00 N ATOM 614 CA GLN A 365 4.581 20.662 2.248 1.00 0.00 C ATOM 615 C GLN A 365 4.210 22.139 2.211 1.00 0.00 C ATOM 616 O GLN A 365 4.816 22.961 2.885 1.00 0.00 O ATOM 617 CB GLN A 365 5.975 20.466 1.641 1.00 0.00 C ATOM 618 CG GLN A 365 5.980 20.386 0.124 1.00 0.00 C ATOM 619 CD GLN A 365 5.949 18.956 -0.391 1.00 0.00 C ATOM 620 OE1 GLN A 365 5.445 18.038 0.418 1.00 0.00 O flip ATOM 621 NE2 GLN A 365 6.409 18.677 -1.493 1.00 0.00 N flip ATOM 0 H GLN A 365 3.925 19.432 0.682 1.00 0.00 H new ATOM 0 HA GLN A 365 4.597 20.334 3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 365 6.616 21.290 1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 365 6.411 19.552 2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 365 5.118 20.927 -0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 365 6.870 20.886 -0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 365 6.789 19.413 -2.088 1.00 0.00 H new ATOM 0 HE22 GLN A 365 6.412 17.709 -1.814 1.00 0.00 H new ATOM 630 N ASN A 366 3.227 22.464 1.406 1.00 0.00 N ATOM 631 CA ASN A 366 2.729 23.827 1.309 1.00 0.00 C ATOM 632 C ASN A 366 1.475 23.964 2.158 1.00 0.00 C ATOM 633 O ASN A 366 0.744 24.947 2.061 1.00 0.00 O ATOM 634 CB ASN A 366 2.400 24.180 -0.152 1.00 0.00 C ATOM 635 CG ASN A 366 3.572 23.986 -1.092 1.00 0.00 C ATOM 636 OD1 ASN A 366 4.393 24.879 -1.268 1.00 0.00 O ATOM 637 ND2 ASN A 366 3.644 22.822 -1.718 1.00 0.00 N ATOM 0 H ASN A 366 2.747 21.799 0.800 1.00 0.00 H new ATOM 0 HA ASN A 366 3.499 24.510 1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 366 1.567 23.564 -0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 366 2.070 25.218 -0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 366 4.403 22.642 -2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 366 2.940 22.105 -1.543 1.00 0.00 H new ATOM 644 N CYS A 367 1.237 22.967 3.001 1.00 0.00 N ATOM 645 CA CYS A 367 0.048 22.928 3.826 1.00 0.00 C ATOM 646 C CYS A 367 0.358 22.375 5.208 1.00 0.00 C ATOM 647 O CYS A 367 0.490 23.135 6.174 1.00 0.00 O ATOM 648 CB CYS A 367 -0.998 22.058 3.158 1.00 0.00 C ATOM 649 SG CYS A 367 -2.544 21.897 4.091 1.00 0.00 S ATOM 0 H CYS A 367 1.861 22.170 3.128 1.00 0.00 H new ATOM 0 HA CYS A 367 -0.326 23.945 3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -1.223 22.471 2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -0.579 21.065 2.998 1.00 0.00 H new ATOM 654 N LYS A 368 0.488 21.045 5.285 1.00 0.00 N ATOM 655 CA LYS A 368 0.776 20.341 6.539 1.00 0.00 C ATOM 656 C LYS A 368 -0.340 20.541 7.557 1.00 0.00 C ATOM 657 O LYS A 368 -0.101 20.534 8.766 1.00 0.00 O ATOM 658 CB LYS A 368 2.108 20.813 7.105 1.00 0.00 C ATOM 659 CG LYS A 368 3.263 20.577 6.162 1.00 0.00 C ATOM 660 CD LYS A 368 4.351 21.619 6.327 1.00 0.00 C ATOM 661 CE LYS A 368 3.943 22.979 5.750 1.00 0.00 C ATOM 662 NZ LYS A 368 3.109 23.787 6.681 1.00 0.00 N1+ ATOM 0 H LYS A 368 0.396 20.427 4.479 1.00 0.00 H new ATOM 0 HA LYS A 368 0.838 19.274 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 368 2.044 21.877 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 368 2.301 20.296 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 368 3.680 19.586 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 368 2.901 20.590 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 368 4.587 21.731 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 368 5.259 21.274 5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 368 4.841 23.542 5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 368 3.392 22.822 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 3.443 24.772 6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 2.116 23.758 6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 3.184 23.396 7.642 1.00 0.00 H new ATOM 676 N ALA A 369 -1.554 20.714 7.057 1.00 0.00 N ATOM 677 CA ALA A 369 -2.716 20.890 7.909 1.00 0.00 C ATOM 678 C ALA A 369 -3.012 19.616 8.692 1.00 0.00 C ATOM 679 O ALA A 369 -2.988 18.517 8.140 1.00 0.00 O ATOM 680 CB ALA A 369 -3.929 21.289 7.074 1.00 0.00 C ATOM 0 H ALA A 369 -1.759 20.736 6.058 1.00 0.00 H new ATOM 0 HA ALA A 369 -2.500 21.687 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 369 -4.793 21.418 7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 369 -3.722 22.226 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 369 -4.139 20.509 6.342 1.00 0.00 H new ATOM 686 N GLU A 370 -3.265 19.766 9.974 1.00 0.00 N ATOM 687 CA GLU A 370 -3.613 18.637 10.814 1.00 0.00 C ATOM 688 C GLU A 370 -5.114 18.602 10.999 1.00 0.00 C ATOM 689 O GLU A 370 -5.699 19.509 11.609 1.00 0.00 O ATOM 690 CB GLU A 370 -2.905 18.729 12.164 1.00 0.00 C ATOM 691 CG GLU A 370 -1.393 18.784 12.048 1.00 0.00 C ATOM 692 CD GLU A 370 -0.704 18.843 13.389 1.00 0.00 C ATOM 693 OE1 GLU A 370 -0.666 19.936 13.999 1.00 0.00 O1- ATOM 694 OE2 GLU A 370 -0.191 17.803 13.840 1.00 0.00 O ATOM 0 H GLU A 370 -3.236 20.662 10.461 1.00 0.00 H new ATOM 0 HA GLU A 370 -3.287 17.715 10.332 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -3.254 19.618 12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -3.184 17.869 12.772 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -1.043 17.907 11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -1.110 19.658 11.461 1.00 0.00 H new ATOM 701 N PHE A 371 -5.743 17.577 10.480 1.00 0.00 N ATOM 702 CA PHE A 371 -7.183 17.493 10.517 1.00 0.00 C ATOM 703 C PHE A 371 -7.672 16.091 10.824 1.00 0.00 C ATOM 704 O PHE A 371 -6.966 15.100 10.617 1.00 0.00 O ATOM 705 CB PHE A 371 -7.783 17.994 9.192 1.00 0.00 C ATOM 706 CG PHE A 371 -7.196 17.356 7.969 1.00 0.00 C ATOM 707 CD1 PHE A 371 -6.090 17.913 7.350 1.00 0.00 C ATOM 708 CD2 PHE A 371 -7.748 16.207 7.435 1.00 0.00 C ATOM 709 CE1 PHE A 371 -5.545 17.335 6.226 1.00 0.00 C ATOM 710 CE2 PHE A 371 -7.208 15.625 6.310 1.00 0.00 C ATOM 711 CZ PHE A 371 -6.102 16.192 5.704 1.00 0.00 C ATOM 0 H PHE A 371 -5.281 16.789 10.027 1.00 0.00 H new ATOM 0 HA PHE A 371 -7.522 18.135 11.330 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -8.858 17.813 9.202 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -7.642 19.073 9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -5.649 18.812 7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -8.612 15.761 7.905 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -4.681 17.779 5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -7.648 14.727 5.902 1.00 0.00 H new ATOM 0 HZ PHE A 371 -5.676 15.737 4.822 1.00 0.00 H new ATOM 721 N CYS A 372 -8.888 16.022 11.317 1.00 0.00 N ATOM 722 CA CYS A 372 -9.521 14.773 11.624 1.00 0.00 C ATOM 723 C CYS A 372 -10.028 14.159 10.347 1.00 0.00 C ATOM 724 O CYS A 372 -10.937 14.673 9.740 1.00 0.00 O ATOM 725 CB CYS A 372 -10.684 15.007 12.583 1.00 0.00 C ATOM 726 SG CYS A 372 -11.523 13.482 13.153 1.00 0.00 S ATOM 0 H CYS A 372 -9.464 16.840 11.515 1.00 0.00 H new ATOM 0 HA CYS A 372 -8.805 14.101 12.097 1.00 0.00 H new ATOM 0 HB2 CYS A 372 -10.316 15.550 13.453 1.00 0.00 H new ATOM 0 HB3 CYS A 372 -11.417 15.648 12.094 1.00 0.00 H new ATOM 731 N TRP A 373 -9.421 13.078 9.939 1.00 0.00 N ATOM 732 CA TRP A 373 -9.809 12.385 8.715 1.00 0.00 C ATOM 733 C TRP A 373 -11.290 12.001 8.725 1.00 0.00 C ATOM 734 O TRP A 373 -11.956 12.045 7.691 1.00 0.00 O ATOM 735 CB TRP A 373 -8.936 11.139 8.546 1.00 0.00 C ATOM 736 CG TRP A 373 -9.463 10.126 7.569 1.00 0.00 C ATOM 737 CD1 TRP A 373 -10.418 9.182 7.811 1.00 0.00 C ATOM 738 CD2 TRP A 373 -9.050 9.936 6.215 1.00 0.00 C ATOM 739 NE1 TRP A 373 -10.622 8.423 6.695 1.00 0.00 N ATOM 740 CE2 TRP A 373 -9.799 8.861 5.699 1.00 0.00 C ATOM 741 CE3 TRP A 373 -8.126 10.569 5.387 1.00 0.00 C ATOM 742 CZ2 TRP A 373 -9.648 8.406 4.395 1.00 0.00 C ATOM 743 CZ3 TRP A 373 -7.977 10.114 4.093 1.00 0.00 C ATOM 744 CH2 TRP A 373 -8.735 9.043 3.609 1.00 0.00 C ATOM 0 H TRP A 373 -8.643 12.644 10.436 1.00 0.00 H new ATOM 0 HA TRP A 373 -9.658 13.061 7.873 1.00 0.00 H new ATOM 0 HB2 TRP A 373 -7.942 11.450 8.224 1.00 0.00 H new ATOM 0 HB3 TRP A 373 -8.821 10.659 9.518 1.00 0.00 H new ATOM 0 HD1 TRP A 373 -10.937 9.054 8.749 1.00 0.00 H new ATOM 0 HE1 TRP A 373 -11.284 7.651 6.618 1.00 0.00 H new ATOM 0 HE3 TRP A 373 -7.538 11.399 5.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 373 -10.232 7.579 4.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 373 -7.262 10.594 3.442 1.00 0.00 H new ATOM 0 HH2 TRP A 373 -8.594 8.714 2.590 1.00 0.00 H new ATOM 755 N VAL A 374 -11.788 11.643 9.899 1.00 0.00 N ATOM 756 CA VAL A 374 -13.159 11.168 10.068 1.00 0.00 C ATOM 757 C VAL A 374 -14.189 12.174 9.545 1.00 0.00 C ATOM 758 O VAL A 374 -14.978 11.862 8.645 1.00 0.00 O ATOM 759 CB VAL A 374 -13.446 10.857 11.553 1.00 0.00 C ATOM 760 CG1 VAL A 374 -14.875 10.376 11.751 1.00 0.00 C ATOM 761 CG2 VAL A 374 -12.456 9.825 12.070 1.00 0.00 C ATOM 0 H VAL A 374 -11.253 11.673 10.767 1.00 0.00 H new ATOM 0 HA VAL A 374 -13.253 10.256 9.478 1.00 0.00 H new ATOM 0 HB VAL A 374 -13.327 11.778 12.124 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -15.045 10.166 12.807 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -15.568 11.149 11.419 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -15.037 9.468 11.169 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -12.666 9.612 13.118 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -12.549 8.908 11.488 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -11.442 10.214 11.975 1.00 0.00 H new ATOM 771 N CYS A 375 -14.169 13.372 10.096 1.00 0.00 N ATOM 772 CA CYS A 375 -15.116 14.404 9.710 1.00 0.00 C ATOM 773 C CYS A 375 -14.461 15.438 8.800 1.00 0.00 C ATOM 774 O CYS A 375 -15.108 16.405 8.373 1.00 0.00 O ATOM 775 CB CYS A 375 -15.680 15.076 10.966 1.00 0.00 C ATOM 776 SG CYS A 375 -14.412 15.560 12.184 1.00 0.00 S ATOM 0 H CYS A 375 -13.505 13.657 10.816 1.00 0.00 H new ATOM 0 HA CYS A 375 -15.930 13.940 9.152 1.00 0.00 H new ATOM 0 HB2 CYS A 375 -16.241 15.962 10.670 1.00 0.00 H new ATOM 0 HB3 CYS A 375 -16.386 14.396 11.443 1.00 0.00 H new ATOM 781 N LEU A 376 -13.181 15.222 8.509 1.00 0.00 N ATOM 782 CA LEU A 376 -12.372 16.143 7.698 1.00 0.00 C ATOM 783 C LEU A 376 -12.337 17.543 8.302 1.00 0.00 C ATOM 784 O LEU A 376 -12.115 18.530 7.600 1.00 0.00 O ATOM 785 CB LEU A 376 -12.831 16.177 6.233 1.00 0.00 C ATOM 786 CG LEU A 376 -12.323 15.033 5.350 1.00 0.00 C ATOM 787 CD1 LEU A 376 -12.808 15.208 3.926 1.00 0.00 C ATOM 788 CD2 LEU A 376 -10.801 14.957 5.385 1.00 0.00 C ATOM 0 H LEU A 376 -12.668 14.400 8.828 1.00 0.00 H new ATOM 0 HA LEU A 376 -11.353 15.756 7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -13.921 16.170 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -12.510 17.121 5.793 1.00 0.00 H new ATOM 0 HG LEU A 376 -12.722 14.098 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -12.438 14.387 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -13.898 15.210 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -12.438 16.153 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -10.463 14.137 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -10.381 15.895 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -10.469 14.784 6.409 1.00 0.00 H new ATOM 800 N GLY A 377 -12.530 17.617 9.610 1.00 0.00 N ATOM 801 CA GLY A 377 -12.484 18.885 10.290 1.00 0.00 C ATOM 802 C GLY A 377 -11.142 19.100 10.933 1.00 0.00 C ATOM 803 O GLY A 377 -10.263 18.273 10.796 1.00 0.00 O ATOM 0 H GLY A 377 -12.718 16.815 10.211 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -12.686 19.689 9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -13.266 18.924 11.049 1.00 0.00 H new ATOM 807 N PRO A 378 -10.960 20.192 11.659 1.00 0.00 N ATOM 808 CA PRO A 378 -9.687 20.498 12.310 1.00 0.00 C ATOM 809 C PRO A 378 -9.369 19.491 13.417 1.00 0.00 C ATOM 810 O PRO A 378 -10.240 19.137 14.211 1.00 0.00 O ATOM 811 CB PRO A 378 -9.912 21.894 12.898 1.00 0.00 C ATOM 812 CG PRO A 378 -11.392 22.020 13.031 1.00 0.00 C ATOM 813 CD PRO A 378 -11.985 21.202 11.926 1.00 0.00 C ATOM 0 HA PRO A 378 -8.844 20.452 11.620 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -9.418 22.000 13.864 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -9.507 22.668 12.246 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -11.727 21.660 14.004 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -11.702 23.062 12.953 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -12.929 20.746 12.226 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -12.190 21.808 11.044 1.00 0.00 H new ATOM 821 N TRP A 379 -8.129 19.023 13.465 1.00 0.00 N ATOM 822 CA TRP A 379 -7.719 18.053 14.478 1.00 0.00 C ATOM 823 C TRP A 379 -7.593 18.697 15.858 1.00 0.00 C ATOM 824 O TRP A 379 -7.698 18.021 16.874 1.00 0.00 O ATOM 825 CB TRP A 379 -6.393 17.384 14.091 1.00 0.00 C ATOM 826 CG TRP A 379 -5.869 16.461 15.144 1.00 0.00 C ATOM 827 CD1 TRP A 379 -4.832 16.698 15.995 1.00 0.00 C ATOM 828 CD2 TRP A 379 -6.377 15.164 15.479 1.00 0.00 C ATOM 829 NE1 TRP A 379 -4.655 15.624 16.833 1.00 0.00 N ATOM 830 CE2 TRP A 379 -5.591 14.669 16.536 1.00 0.00 C ATOM 831 CE3 TRP A 379 -7.417 14.373 14.985 1.00 0.00 C ATOM 832 CZ2 TRP A 379 -5.814 13.420 17.109 1.00 0.00 C ATOM 833 CZ3 TRP A 379 -7.637 13.134 15.554 1.00 0.00 C ATOM 834 CH2 TRP A 379 -6.839 12.668 16.607 1.00 0.00 C ATOM 0 H TRP A 379 -7.390 19.297 12.818 1.00 0.00 H new ATOM 0 HA TRP A 379 -8.499 17.293 14.528 1.00 0.00 H new ATOM 0 HB2 TRP A 379 -6.532 16.826 13.165 1.00 0.00 H new ATOM 0 HB3 TRP A 379 -5.649 18.155 13.890 1.00 0.00 H new ATOM 0 HD1 TRP A 379 -4.236 17.599 16.009 1.00 0.00 H new ATOM 0 HE1 TRP A 379 -3.942 15.550 17.559 1.00 0.00 H new ATOM 0 HE3 TRP A 379 -8.037 14.724 14.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 379 -5.200 13.059 17.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 379 -8.438 12.513 15.181 1.00 0.00 H new ATOM 0 HH2 TRP A 379 -7.038 11.695 17.031 1.00 0.00 H new ATOM 845 N GLU A 380 -7.387 20.004 15.879 1.00 0.00 N ATOM 846 CA GLU A 380 -7.199 20.746 17.131 1.00 0.00 C ATOM 847 C GLU A 380 -8.287 20.419 18.200 1.00 0.00 C ATOM 848 O GLU A 380 -7.947 20.045 19.320 1.00 0.00 O ATOM 849 CB GLU A 380 -7.126 22.248 16.852 1.00 0.00 C ATOM 850 CG GLU A 380 -6.090 22.627 15.798 1.00 0.00 C ATOM 851 CD GLU A 380 -4.673 22.269 16.198 1.00 0.00 C ATOM 852 OE1 GLU A 380 -4.051 23.040 16.964 1.00 0.00 O ATOM 853 OE2 GLU A 380 -4.161 21.230 15.736 1.00 0.00 O1- ATOM 0 H GLU A 380 -7.344 20.583 15.040 1.00 0.00 H new ATOM 0 HA GLU A 380 -6.250 20.421 17.558 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -8.106 22.596 16.527 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -6.894 22.770 17.780 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -6.334 22.126 14.861 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -6.148 23.699 15.610 1.00 0.00 H new ATOM 860 N PRO A 381 -9.610 20.553 17.875 1.00 0.00 N ATOM 861 CA PRO A 381 -10.693 20.210 18.824 1.00 0.00 C ATOM 862 C PRO A 381 -10.802 18.697 19.090 1.00 0.00 C ATOM 863 O PRO A 381 -11.555 18.265 19.957 1.00 0.00 O ATOM 864 CB PRO A 381 -11.959 20.710 18.117 1.00 0.00 C ATOM 865 CG PRO A 381 -11.608 20.712 16.674 1.00 0.00 C ATOM 866 CD PRO A 381 -10.153 21.077 16.607 1.00 0.00 C ATOM 0 HA PRO A 381 -10.520 20.657 19.803 1.00 0.00 H new ATOM 0 HB2 PRO A 381 -12.809 20.057 18.317 1.00 0.00 H new ATOM 0 HB3 PRO A 381 -12.236 21.707 18.459 1.00 0.00 H new ATOM 0 HG2 PRO A 381 -11.787 19.734 16.227 1.00 0.00 H new ATOM 0 HG3 PRO A 381 -12.217 21.430 16.125 1.00 0.00 H new ATOM 0 HD2 PRO A 381 -9.665 20.625 15.744 1.00 0.00 H new ATOM 0 HD3 PRO A 381 -10.013 22.155 16.525 1.00 0.00 H new ATOM 874 N HIS A 382 -10.056 17.905 18.339 1.00 0.00 N ATOM 875 CA HIS A 382 -10.083 16.454 18.498 1.00 0.00 C ATOM 876 C HIS A 382 -8.960 15.985 19.406 1.00 0.00 C ATOM 877 O HIS A 382 -9.084 14.964 20.086 1.00 0.00 O ATOM 878 CB HIS A 382 -9.976 15.758 17.141 1.00 0.00 C ATOM 879 CG HIS A 382 -11.180 15.934 16.271 1.00 0.00 C ATOM 880 ND1 HIS A 382 -11.370 17.001 15.422 1.00 0.00 N ATOM 881 CD2 HIS A 382 -12.263 15.142 16.124 1.00 0.00 C ATOM 882 CE1 HIS A 382 -12.537 16.828 14.798 1.00 0.00 C ATOM 883 NE2 HIS A 382 -13.123 15.710 15.186 1.00 0.00 N ATOM 0 H HIS A 382 -9.423 18.238 17.612 1.00 0.00 H new ATOM 0 HA HIS A 382 -11.036 16.190 18.957 1.00 0.00 H new ATOM 0 HB2 HIS A 382 -9.101 16.141 16.615 1.00 0.00 H new ATOM 0 HB3 HIS A 382 -9.809 14.693 17.302 1.00 0.00 H new ATOM 0 HD1 HIS A 382 -10.731 17.786 15.293 1.00 0.00 H new ATOM 0 HD2 HIS A 382 -12.436 14.215 16.650 1.00 0.00 H new ATOM 0 HE1 HIS A 382 -12.948 17.513 14.071 1.00 0.00 H new ATOM 0 HE2 HIS A 382 -14.018 15.340 14.866 1.00 0.00 H new ATOM 891 N GLY A 383 -7.865 16.722 19.407 1.00 0.00 N ATOM 892 CA GLY A 383 -6.744 16.376 20.245 1.00 0.00 C ATOM 893 C GLY A 383 -6.981 16.757 21.688 1.00 0.00 C ATOM 894 O GLY A 383 -6.653 17.871 22.094 1.00 0.00 O ATOM 0 H GLY A 383 -7.733 17.559 18.839 1.00 0.00 H new ATOM 0 HA2 GLY A 383 -6.558 15.304 20.178 1.00 0.00 H new ATOM 0 HA3 GLY A 383 -5.848 16.878 19.879 1.00 0.00 H new ATOM 898 N SER A 384 -7.561 15.830 22.451 1.00 0.00 N ATOM 899 CA SER A 384 -7.869 16.025 23.875 1.00 0.00 C ATOM 900 C SER A 384 -8.673 17.308 24.116 1.00 0.00 C ATOM 901 O SER A 384 -8.108 18.365 24.432 1.00 0.00 O ATOM 902 CB SER A 384 -6.586 15.991 24.745 1.00 0.00 C ATOM 903 OG SER A 384 -5.636 16.967 24.328 1.00 0.00 O ATOM 0 H SER A 384 -7.834 14.913 22.098 1.00 0.00 H new ATOM 0 HA SER A 384 -8.497 15.189 24.182 1.00 0.00 H new ATOM 0 HB2 SER A 384 -6.850 16.164 25.788 1.00 0.00 H new ATOM 0 HB3 SER A 384 -6.136 15.000 24.690 1.00 0.00 H new ATOM 0 HG SER A 384 -6.073 17.619 23.740 1.00 0.00 H new ATOM 909 N ALA A 385 -9.983 17.219 23.955 1.00 0.00 N ATOM 910 CA ALA A 385 -10.846 18.373 24.129 1.00 0.00 C ATOM 911 C ALA A 385 -12.278 17.957 24.429 1.00 0.00 C ATOM 912 O ALA A 385 -12.571 16.774 24.623 1.00 0.00 O ATOM 913 CB ALA A 385 -10.800 19.257 22.886 1.00 0.00 C ATOM 0 H ALA A 385 -10.471 16.359 23.704 1.00 0.00 H new ATOM 0 HA ALA A 385 -10.479 18.940 24.984 1.00 0.00 H new ATOM 0 HB1 ALA A 385 -11.451 20.119 23.028 1.00 0.00 H new ATOM 0 HB2 ALA A 385 -9.778 19.598 22.719 1.00 0.00 H new ATOM 0 HB3 ALA A 385 -11.138 18.686 22.021 1.00 0.00 H new ATOM 919 N TRP A 386 -13.159 18.941 24.463 1.00 0.00 N ATOM 920 CA TRP A 386 -14.578 18.730 24.735 1.00 0.00 C ATOM 921 C TRP A 386 -15.291 18.208 23.492 1.00 0.00 C ATOM 922 O TRP A 386 -16.342 17.573 23.580 1.00 0.00 O ATOM 923 CB TRP A 386 -15.219 20.063 25.141 1.00 0.00 C ATOM 924 CG TRP A 386 -15.264 21.062 24.007 1.00 0.00 C ATOM 925 CD1 TRP A 386 -14.211 21.750 23.476 1.00 0.00 C ATOM 926 CD2 TRP A 386 -16.419 21.462 23.256 1.00 0.00 C ATOM 927 NE1 TRP A 386 -14.639 22.553 22.455 1.00 0.00 N ATOM 928 CE2 TRP A 386 -15.988 22.398 22.300 1.00 0.00 C ATOM 929 CE3 TRP A 386 -17.773 21.122 23.304 1.00 0.00 C ATOM 930 CZ2 TRP A 386 -16.858 22.996 21.397 1.00 0.00 C ATOM 931 CZ3 TRP A 386 -18.638 21.718 22.406 1.00 0.00 C ATOM 932 CH2 TRP A 386 -18.177 22.645 21.465 1.00 0.00 C ATOM 0 H TRP A 386 -12.913 19.918 24.302 1.00 0.00 H new ATOM 0 HA TRP A 386 -14.672 17.999 25.538 1.00 0.00 H new ATOM 0 HB2 TRP A 386 -16.233 19.880 25.498 1.00 0.00 H new ATOM 0 HB3 TRP A 386 -14.660 20.491 25.974 1.00 0.00 H new ATOM 0 HD1 TRP A 386 -13.188 21.671 23.813 1.00 0.00 H new ATOM 0 HE1 TRP A 386 -14.046 23.169 21.898 1.00 0.00 H new ATOM 0 HE3 TRP A 386 -18.136 20.408 24.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 386 -16.505 23.711 20.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 386 -19.687 21.464 22.431 1.00 0.00 H new ATOM 0 HH2 TRP A 386 -18.879 23.093 20.777 1.00 0.00 H new ATOM 943 N TYR A 387 -14.706 18.483 22.342 1.00 0.00 N ATOM 944 CA TYR A 387 -15.316 18.154 21.079 1.00 0.00 C ATOM 945 C TYR A 387 -15.322 16.654 20.824 1.00 0.00 C ATOM 946 O TYR A 387 -14.272 16.008 20.786 1.00 0.00 O ATOM 947 CB TYR A 387 -14.617 18.893 19.948 1.00 0.00 C ATOM 948 CG TYR A 387 -15.301 18.722 18.613 1.00 0.00 C ATOM 949 CD1 TYR A 387 -16.390 19.505 18.265 1.00 0.00 C ATOM 950 CD2 TYR A 387 -14.867 17.765 17.706 1.00 0.00 C ATOM 951 CE1 TYR A 387 -17.027 19.340 17.054 1.00 0.00 C ATOM 952 CE2 TYR A 387 -15.496 17.597 16.494 1.00 0.00 C ATOM 953 CZ TYR A 387 -16.575 18.383 16.171 1.00 0.00 C ATOM 954 OH TYR A 387 -17.209 18.210 14.962 1.00 0.00 O ATOM 0 H TYR A 387 -13.797 18.939 22.262 1.00 0.00 H new ATOM 0 HA TYR A 387 -16.357 18.476 21.120 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -14.569 19.954 20.191 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -13.590 18.537 19.871 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -16.745 20.257 18.954 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -14.021 17.142 17.956 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -17.876 19.957 16.798 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -15.143 16.850 15.799 1.00 0.00 H new ATOM 0 HH TYR A 387 -16.764 17.496 14.459 1.00 0.00 H new ATOM 964 N ASN A 388 -16.510 16.117 20.642 1.00 0.00 N ATOM 965 CA ASN A 388 -16.695 14.698 20.405 1.00 0.00 C ATOM 966 C ASN A 388 -16.709 14.387 18.910 1.00 0.00 C ATOM 967 O ASN A 388 -17.135 15.208 18.098 1.00 0.00 O ATOM 968 CB ASN A 388 -18.006 14.220 21.054 1.00 0.00 C ATOM 969 CG ASN A 388 -19.237 14.935 20.506 1.00 0.00 C ATOM 970 OD1 ASN A 388 -19.614 16.010 20.987 1.00 0.00 O ATOM 971 ND2 ASN A 388 -19.879 14.344 19.516 1.00 0.00 N ATOM 0 H ASN A 388 -17.378 16.652 20.654 1.00 0.00 H new ATOM 0 HA ASN A 388 -15.856 14.167 20.855 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -18.114 13.147 20.894 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -17.950 14.378 22.131 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -20.716 14.774 19.122 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -19.538 13.457 19.145 1.00 0.00 H new ATOM 978 N CYS A 389 -16.224 13.205 18.563 1.00 0.00 N ATOM 979 CA CYS A 389 -16.211 12.733 17.188 1.00 0.00 C ATOM 980 C CYS A 389 -16.309 11.219 17.189 1.00 0.00 C ATOM 981 O CYS A 389 -15.641 10.551 17.993 1.00 0.00 O ATOM 982 CB CYS A 389 -14.929 13.177 16.469 1.00 0.00 C ATOM 983 SG CYS A 389 -14.901 12.841 14.678 1.00 0.00 S ATOM 0 H CYS A 389 -15.827 12.544 19.230 1.00 0.00 H new ATOM 0 HA CYS A 389 -17.060 13.161 16.655 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -14.793 14.247 16.626 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -14.078 12.677 16.932 1.00 0.00 H new ATOM 988 N ASN A 390 -17.128 10.677 16.318 1.00 0.00 N ATOM 989 CA ASN A 390 -17.315 9.238 16.251 1.00 0.00 C ATOM 990 C ASN A 390 -16.362 8.602 15.245 1.00 0.00 C ATOM 991 O ASN A 390 -16.561 8.677 14.036 1.00 0.00 O ATOM 992 CB ASN A 390 -18.789 8.882 15.943 1.00 0.00 C ATOM 993 CG ASN A 390 -19.314 9.487 14.647 1.00 0.00 C ATOM 994 OD1 ASN A 390 -19.735 10.643 14.614 1.00 0.00 O ATOM 995 ND2 ASN A 390 -19.319 8.705 13.586 1.00 0.00 N ATOM 0 H ASN A 390 -17.678 11.208 15.643 1.00 0.00 H new ATOM 0 HA ASN A 390 -17.075 8.824 17.230 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -18.887 7.798 15.892 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -19.414 9.220 16.769 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -19.681 9.053 12.698 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -18.961 7.752 13.653 1.00 0.00 H new ATOM 1002 N ARG A 391 -15.301 7.999 15.756 1.00 0.00 N ATOM 1003 CA ARG A 391 -14.318 7.351 14.901 1.00 0.00 C ATOM 1004 C ARG A 391 -14.353 5.847 15.105 1.00 0.00 C ATOM 1005 O ARG A 391 -14.299 5.074 14.152 1.00 0.00 O ATOM 1006 CB ARG A 391 -12.889 7.845 15.199 1.00 0.00 C ATOM 1007 CG ARG A 391 -12.742 9.337 15.476 1.00 0.00 C ATOM 1008 CD ARG A 391 -12.935 9.645 16.948 1.00 0.00 C ATOM 1009 NE ARG A 391 -11.876 10.509 17.474 1.00 0.00 N ATOM 1010 CZ ARG A 391 -12.020 11.335 18.514 1.00 0.00 C ATOM 1011 NH1 ARG A 391 -13.207 11.480 19.099 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 391 -10.975 12.026 18.958 1.00 0.00 N ATOM 0 H ARG A 391 -15.098 7.944 16.754 1.00 0.00 H new ATOM 0 HA ARG A 391 -14.575 7.604 13.872 1.00 0.00 H new ATOM 0 HB2 ARG A 391 -12.509 7.296 16.061 1.00 0.00 H new ATOM 0 HB3 ARG A 391 -12.253 7.589 14.352 1.00 0.00 H new ATOM 0 HG2 ARG A 391 -11.755 9.673 15.158 1.00 0.00 H new ATOM 0 HG3 ARG A 391 -13.472 9.892 14.887 1.00 0.00 H new ATOM 0 HD2 ARG A 391 -13.901 10.128 17.093 1.00 0.00 H new ATOM 0 HD3 ARG A 391 -12.956 8.713 17.513 1.00 0.00 H new ATOM 0 HE ARG A 391 -10.966 10.478 17.015 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -14.013 10.959 18.754 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -13.311 12.112 19.893 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -10.067 11.925 18.505 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -11.081 12.658 19.752 1.00 0.00 H new ATOM 1026 N TYR A 392 -14.441 5.440 16.357 1.00 0.00 N ATOM 1027 CA TYR A 392 -14.403 4.027 16.706 1.00 0.00 C ATOM 1028 C TYR A 392 -15.576 3.628 17.592 1.00 0.00 C ATOM 1029 O TYR A 392 -15.984 2.473 17.611 1.00 0.00 O ATOM 1030 CB TYR A 392 -13.069 3.691 17.393 1.00 0.00 C ATOM 1031 CG TYR A 392 -12.675 4.663 18.493 1.00 0.00 C ATOM 1032 CD1 TYR A 392 -13.091 4.472 19.805 1.00 0.00 C ATOM 1033 CD2 TYR A 392 -11.888 5.777 18.213 1.00 0.00 C ATOM 1034 CE1 TYR A 392 -12.736 5.362 20.801 1.00 0.00 C ATOM 1035 CE2 TYR A 392 -11.531 6.666 19.202 1.00 0.00 C ATOM 1036 CZ TYR A 392 -11.956 6.456 20.493 1.00 0.00 C ATOM 1037 OH TYR A 392 -11.603 7.345 21.480 1.00 0.00 O ATOM 0 H TYR A 392 -14.540 6.068 17.154 1.00 0.00 H new ATOM 0 HA TYR A 392 -14.487 3.453 15.783 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -13.133 2.688 17.815 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -12.280 3.671 16.641 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -13.701 3.615 20.050 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -11.551 5.947 17.201 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -13.068 5.201 21.816 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -10.920 7.524 18.965 1.00 0.00 H new ATOM 0 HH TYR A 392 -11.052 8.058 21.096 1.00 0.00 H new ATOM 1047 N ASN A 393 -16.110 4.583 18.323 1.00 0.00 N ATOM 1048 CA ASN A 393 -17.229 4.317 19.213 1.00 0.00 C ATOM 1049 C ASN A 393 -18.492 4.955 18.670 1.00 0.00 C ATOM 1050 O ASN A 393 -18.522 6.163 18.409 1.00 0.00 O ATOM 1051 CB ASN A 393 -16.933 4.852 20.618 1.00 0.00 C ATOM 1052 CG ASN A 393 -18.046 4.558 21.622 1.00 0.00 C ATOM 1053 OD1 ASN A 393 -18.660 3.393 21.517 1.00 0.00 O flip ATOM 1054 ND2 ASN A 393 -18.319 5.366 22.507 1.00 0.00 N flip ATOM 0 H ASN A 393 -15.790 5.552 18.321 1.00 0.00 H new ATOM 0 HA ASN A 393 -17.375 3.239 19.273 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -16.003 4.413 20.978 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -16.777 5.929 20.564 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -17.823 6.256 22.556 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -19.042 5.147 23.193 1.00 0.00 H new ATOM 1061 N GLU A 394 -19.522 4.144 18.479 1.00 0.00 N ATOM 1062 CA GLU A 394 -20.798 4.630 17.984 1.00 0.00 C ATOM 1063 C GLU A 394 -21.385 5.684 18.912 1.00 0.00 C ATOM 1064 O GLU A 394 -21.567 5.452 20.108 1.00 0.00 O ATOM 1065 CB GLU A 394 -21.776 3.473 17.764 1.00 0.00 C ATOM 1066 CG GLU A 394 -21.877 2.502 18.934 1.00 0.00 C ATOM 1067 CD GLU A 394 -22.696 1.275 18.602 1.00 0.00 C ATOM 1068 OE1 GLU A 394 -23.937 1.335 18.697 1.00 0.00 O ATOM 1069 OE2 GLU A 394 -22.103 0.238 18.244 1.00 0.00 O1- ATOM 0 H GLU A 394 -19.497 3.141 18.661 1.00 0.00 H new ATOM 0 HA GLU A 394 -20.623 5.106 17.019 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -22.765 3.883 17.562 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -21.472 2.921 16.875 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -20.875 2.195 19.234 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -22.323 3.012 19.787 1.00 0.00 H new ATOM 1076 N ASP A 395 -21.685 6.829 18.344 1.00 0.00 N ATOM 1077 CA ASP A 395 -22.181 7.974 19.099 1.00 0.00 C ATOM 1078 C ASP A 395 -23.687 8.066 18.967 1.00 0.00 C ATOM 1079 O ASP A 395 -24.369 8.729 19.754 1.00 0.00 O ATOM 1080 CB ASP A 395 -21.521 9.251 18.571 1.00 0.00 C ATOM 1081 CG ASP A 395 -21.881 10.490 19.363 1.00 0.00 C ATOM 1082 OD1 ASP A 395 -21.219 10.752 20.391 1.00 0.00 O1- ATOM 1083 OD2 ASP A 395 -22.803 11.220 18.944 1.00 0.00 O ATOM 0 H ASP A 395 -21.594 7.001 17.343 1.00 0.00 H new ATOM 0 HA ASP A 395 -21.933 7.852 20.153 1.00 0.00 H new ATOM 0 HB2 ASP A 395 -20.439 9.123 18.584 1.00 0.00 H new ATOM 0 HB3 ASP A 395 -21.812 9.397 17.531 1.00 0.00 H new ATOM 1088 N ASP A 396 -24.197 7.393 17.972 1.00 0.00 N ATOM 1089 CA ASP A 396 -25.611 7.367 17.712 1.00 0.00 C ATOM 1090 C ASP A 396 -26.150 5.982 17.970 1.00 0.00 C ATOM 1091 O ASP A 396 -27.319 5.862 18.392 1.00 0.00 O ATOM 1092 CB ASP A 396 -25.910 7.811 16.275 1.00 0.00 C ATOM 1093 CG ASP A 396 -25.282 6.920 15.221 1.00 0.00 C ATOM 1094 OD1 ASP A 396 -25.859 5.859 14.896 1.00 0.00 O ATOM 1095 OD2 ASP A 396 -24.208 7.288 14.694 1.00 0.00 O1- ATOM 1096 OXT ASP A 396 -25.386 5.014 17.795 1.00 0.00 O ATOM 0 H ASP A 396 -23.641 6.845 17.316 1.00 0.00 H new ATOM 0 HA ASP A 396 -26.106 8.068 18.384 1.00 0.00 H new ATOM 0 HB2 ASP A 396 -26.990 7.830 16.127 1.00 0.00 H new ATOM 0 HB3 ASP A 396 -25.552 8.831 16.137 1.00 0.00 H new TER 1101 ASP A 396 HETATM 1102 ZN ZN A 401 -3.313 20.170 2.901 1.00 0.00 ZN HETATM 1103 ZN ZN A 402 -13.527 14.217 13.681 1.00 0.00 ZN