USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=21 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= 1.59 K(o=1.8,f=-4.6!) USER MOD Set 1.2: A 366 ASN : amide:sc= 0.217 X(o=1.8,f=1.4) USER MOD Set 2.1: A 353 LYS NZ :NH3+ -162:sc= 1.12 (180deg=-0.442) USER MOD Set 2.2: A 358 ASN : amide:sc= -0.28! C(o=0.84!,f=-11!) USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 325 LYS NZ :NH3+ -144:sc= -0.304 (180deg=-3.98!) USER MOD Single : A 326 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0683) 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 180:sc= 0.0606 USER MOD Single : A 334 SER OG : rot 85:sc= 0.703 USER MOD Single : A 335 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 340 ASN : amide:sc= 1.17 K(o=1.2,f=-0.037) USER MOD Single : A 341 THR OG1 : rot -138:sc= -1.31! USER MOD Single : A 342 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.26) USER MOD Single : A 346 LYS NZ :NH3+ 158:sc= -1.91! (180deg=-2.9!) USER MOD Single : A 348 HIS : no HD1:sc= -0.0175 X(o=-0.018,f=-0.0022) USER MOD Single : A 350 THR OG1 : rot -27:sc= 0.264 USER MOD Single : A 357 SER OG : rot 180:sc= 0 USER MOD Single : A 359 HIS : no HD1:sc= 0.00316 K(o=0.0032,f=-2.3!) USER MOD Single : A 360 MET CE :methyl -123:sc= -1.34 (180deg=-4.15!) USER MOD Single : A 365 GLN :FLIP amide:sc= -0.356 F(o=-3.4!,f=-0.36) USER MOD Single : A 368 LYS NZ :NH3+ 145:sc= -0.528! (180deg=-3.11!) USER MOD Single : A 382 HIS : +bothHN:sc= 0.396 K(o=0.4,f=-7.2!) 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= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 390 ASN : amide:sc= 0.00681 X(o=0.0068,f=0) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 323 8.049 6.594 -3.519 1.00 0.00 N ATOM 2 CA GLY A 323 7.637 8.000 -3.380 1.00 0.00 C ATOM 3 C GLY A 323 6.160 8.120 -3.123 1.00 0.00 C ATOM 4 O GLY A 323 5.659 7.642 -2.103 1.00 0.00 O ATOM 0 HA2 GLY A 323 8.188 8.462 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 323 7.895 8.547 -4.287 1.00 0.00 H new ATOM 10 N SER A 324 5.457 8.747 -4.042 1.00 0.00 N ATOM 11 CA SER A 324 4.028 8.907 -3.928 1.00 0.00 C ATOM 12 C SER A 324 3.324 7.681 -4.500 1.00 0.00 C ATOM 13 O SER A 324 3.969 6.814 -5.095 1.00 0.00 O ATOM 14 CB SER A 324 3.597 10.163 -4.674 1.00 0.00 C ATOM 15 OG SER A 324 4.379 11.279 -4.277 1.00 0.00 O ATOM 0 H SER A 324 5.860 9.157 -4.884 1.00 0.00 H new ATOM 0 HA SER A 324 3.754 9.007 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 324 3.698 10.006 -5.748 1.00 0.00 H new ATOM 0 HB3 SER A 324 2.544 10.364 -4.479 1.00 0.00 H new ATOM 0 HG SER A 324 4.087 12.075 -4.769 1.00 0.00 H new ATOM 21 N LYS A 325 2.015 7.600 -4.320 1.00 0.00 N ATOM 22 CA LYS A 325 1.260 6.470 -4.829 1.00 0.00 C ATOM 23 C LYS A 325 1.266 6.478 -6.353 1.00 0.00 C ATOM 24 O LYS A 325 1.652 5.497 -6.984 1.00 0.00 O ATOM 25 CB LYS A 325 -0.175 6.486 -4.283 1.00 0.00 C ATOM 26 CG LYS A 325 -1.039 5.318 -4.749 1.00 0.00 C ATOM 27 CD LYS A 325 -0.435 3.954 -4.389 1.00 0.00 C ATOM 28 CE LYS A 325 -0.555 3.613 -2.898 1.00 0.00 C ATOM 29 NZ LYS A 325 0.289 4.478 -2.025 1.00 0.00 N1+ ATOM 0 H LYS A 325 1.458 8.299 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 325 1.735 5.550 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 325 -0.136 6.482 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 325 -0.654 7.418 -4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 325 -2.029 5.402 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 325 -1.172 5.378 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 325 -0.931 3.179 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 325 0.617 3.943 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 325 -1.597 3.708 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 325 -0.273 2.571 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 325 0.660 3.915 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 325 1.082 4.862 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 325 -0.285 5.262 -1.654 1.00 0.00 H new ATOM 43 N LYS A 326 0.850 7.593 -6.931 1.00 0.00 N ATOM 44 CA LYS A 326 0.834 7.758 -8.375 1.00 0.00 C ATOM 45 C LYS A 326 0.993 9.216 -8.753 1.00 0.00 C ATOM 46 O LYS A 326 1.060 10.088 -7.882 1.00 0.00 O ATOM 47 CB LYS A 326 -0.446 7.180 -8.998 1.00 0.00 C ATOM 48 CG LYS A 326 -0.310 5.728 -9.423 1.00 0.00 C ATOM 49 CD LYS A 326 -1.560 5.219 -10.115 1.00 0.00 C ATOM 50 CE LYS A 326 -1.314 3.861 -10.763 1.00 0.00 C ATOM 51 NZ LYS A 326 -0.860 2.843 -9.779 1.00 0.00 N1+ ATOM 0 H LYS A 326 0.515 8.406 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 326 1.681 7.200 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 326 -1.261 7.265 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 326 -0.722 7.780 -9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 326 0.543 5.625 -10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 326 -0.104 5.112 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 326 -2.372 5.139 -9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 326 -1.877 5.935 -10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 326 -2.231 3.517 -11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 326 -0.564 3.965 -11.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 -0.836 1.908 -10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 0.092 3.088 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 -1.519 2.820 -8.974 1.00 0.00 H new ATOM 65 N CYS A 327 1.059 9.480 -10.041 1.00 0.00 N ATOM 66 CA CYS A 327 1.209 10.830 -10.533 1.00 0.00 C ATOM 67 C CYS A 327 -0.141 11.538 -10.551 1.00 0.00 C ATOM 68 O CYS A 327 -1.147 10.974 -10.995 1.00 0.00 O ATOM 69 CB CYS A 327 1.815 10.812 -11.933 1.00 0.00 C ATOM 70 SG CYS A 327 3.382 9.920 -12.048 1.00 0.00 S ATOM 0 H CYS A 327 1.010 8.769 -10.771 1.00 0.00 H new ATOM 0 HA CYS A 327 1.878 11.375 -9.867 1.00 0.00 H new ATOM 0 HB2 CYS A 327 1.100 10.359 -12.621 1.00 0.00 H new ATOM 0 HB3 CYS A 327 1.969 11.839 -12.264 1.00 0.00 H new ATOM 0 HG CYS A 327 3.815 9.959 -13.273 1.00 0.00 H new ATOM 76 N ASP A 328 -0.163 12.767 -10.068 1.00 0.00 N ATOM 77 CA ASP A 328 -1.388 13.544 -10.018 1.00 0.00 C ATOM 78 C ASP A 328 -1.637 14.205 -11.359 1.00 0.00 C ATOM 79 O ASP A 328 -1.406 15.404 -11.532 1.00 0.00 O ATOM 80 CB ASP A 328 -1.330 14.607 -8.907 1.00 0.00 C ATOM 81 CG ASP A 328 -1.097 14.019 -7.528 1.00 0.00 C ATOM 82 OD1 ASP A 328 -2.075 13.620 -6.865 1.00 0.00 O1- ATOM 83 OD2 ASP A 328 0.070 13.956 -7.101 1.00 0.00 O ATOM 0 H ASP A 328 0.658 13.250 -9.703 1.00 0.00 H new ATOM 0 HA ASP A 328 -2.211 12.866 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -0.533 15.315 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -2.264 15.169 -8.902 1.00 0.00 H new ATOM 88 N ASP A 329 -2.059 13.409 -12.323 1.00 0.00 N ATOM 89 CA ASP A 329 -2.334 13.911 -13.663 1.00 0.00 C ATOM 90 C ASP A 329 -3.821 13.898 -13.946 1.00 0.00 C ATOM 91 O ASP A 329 -4.503 14.915 -13.798 1.00 0.00 O ATOM 92 CB ASP A 329 -1.596 13.092 -14.731 1.00 0.00 C ATOM 93 CG ASP A 329 -0.095 13.159 -14.601 1.00 0.00 C ATOM 94 OD1 ASP A 329 0.473 14.260 -14.742 1.00 0.00 O1- ATOM 95 OD2 ASP A 329 0.527 12.110 -14.355 1.00 0.00 O ATOM 0 H ASP A 329 -2.220 12.409 -12.206 1.00 0.00 H new ATOM 0 HA ASP A 329 -1.972 14.938 -13.706 1.00 0.00 H new ATOM 0 HB2 ASP A 329 -1.914 12.051 -14.665 1.00 0.00 H new ATOM 0 HB3 ASP A 329 -1.885 13.451 -15.719 1.00 0.00 H new ATOM 100 N ASP A 330 -4.331 12.738 -14.334 1.00 0.00 N ATOM 101 CA ASP A 330 -5.741 12.598 -14.649 1.00 0.00 C ATOM 102 C ASP A 330 -6.508 12.153 -13.414 1.00 0.00 C ATOM 103 O ASP A 330 -5.910 11.753 -12.419 1.00 0.00 O ATOM 104 CB ASP A 330 -5.943 11.596 -15.790 1.00 0.00 C ATOM 105 CG ASP A 330 -7.282 11.765 -16.478 1.00 0.00 C ATOM 106 OD1 ASP A 330 -8.270 11.153 -16.032 1.00 0.00 O1- ATOM 107 OD2 ASP A 330 -7.352 12.524 -17.465 1.00 0.00 O ATOM 0 H ASP A 330 -3.787 11.881 -14.438 1.00 0.00 H new ATOM 0 HA ASP A 330 -6.123 13.566 -14.973 1.00 0.00 H new ATOM 0 HB2 ASP A 330 -5.144 11.717 -16.522 1.00 0.00 H new ATOM 0 HB3 ASP A 330 -5.865 10.582 -15.397 1.00 0.00 H new ATOM 112 N SER A 331 -7.822 12.212 -13.477 1.00 0.00 N ATOM 113 CA SER A 331 -8.649 11.856 -12.346 1.00 0.00 C ATOM 114 C SER A 331 -9.224 10.444 -12.482 1.00 0.00 C ATOM 115 O SER A 331 -9.962 9.984 -11.612 1.00 0.00 O ATOM 116 CB SER A 331 -9.772 12.870 -12.190 1.00 0.00 C ATOM 117 OG SER A 331 -9.256 14.193 -12.146 1.00 0.00 O ATOM 0 H SER A 331 -8.341 12.505 -14.305 1.00 0.00 H new ATOM 0 HA SER A 331 -8.021 11.867 -11.455 1.00 0.00 H new ATOM 0 HB2 SER A 331 -10.471 12.775 -13.021 1.00 0.00 H new ATOM 0 HB3 SER A 331 -10.331 12.663 -11.278 1.00 0.00 H new ATOM 0 HG SER A 331 -9.995 14.829 -12.047 1.00 0.00 H new ATOM 123 N GLU A 332 -8.872 9.748 -13.572 1.00 0.00 N ATOM 124 CA GLU A 332 -9.352 8.375 -13.794 1.00 0.00 C ATOM 125 C GLU A 332 -8.848 7.427 -12.707 1.00 0.00 C ATOM 126 O GLU A 332 -9.392 6.340 -12.508 1.00 0.00 O ATOM 127 CB GLU A 332 -8.933 7.855 -15.172 1.00 0.00 C ATOM 128 CG GLU A 332 -7.429 7.854 -15.413 1.00 0.00 C ATOM 129 CD GLU A 332 -7.060 7.236 -16.745 1.00 0.00 C ATOM 130 OE1 GLU A 332 -7.477 7.777 -17.791 1.00 0.00 O ATOM 131 OE2 GLU A 332 -6.340 6.212 -16.751 1.00 0.00 O1- ATOM 0 H GLU A 332 -8.263 10.107 -14.307 1.00 0.00 H new ATOM 0 HA GLU A 332 -10.441 8.406 -13.750 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -9.309 6.839 -15.293 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -9.411 8.465 -15.938 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -7.057 8.878 -15.375 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -6.935 7.305 -14.611 1.00 0.00 H new ATOM 138 N THR A 333 -7.822 7.858 -11.998 1.00 0.00 N ATOM 139 CA THR A 333 -7.234 7.085 -10.935 1.00 0.00 C ATOM 140 C THR A 333 -8.115 7.094 -9.684 1.00 0.00 C ATOM 141 O THR A 333 -7.828 6.418 -8.702 1.00 0.00 O ATOM 142 CB THR A 333 -5.849 7.641 -10.595 1.00 0.00 C ATOM 143 OG1 THR A 333 -5.901 9.076 -10.619 1.00 0.00 O ATOM 144 CG2 THR A 333 -4.809 7.153 -11.592 1.00 0.00 C ATOM 0 H THR A 333 -7.374 8.762 -12.149 1.00 0.00 H new ATOM 0 HA THR A 333 -7.144 6.054 -11.278 1.00 0.00 H new ATOM 0 HB THR A 333 -5.564 7.291 -9.603 1.00 0.00 H new ATOM 0 HG1 THR A 333 -5.017 9.439 -10.401 1.00 0.00 H new ATOM 0 HG21 THR A 333 -3.833 7.562 -11.329 1.00 0.00 H new ATOM 0 HG22 THR A 333 -4.765 6.064 -11.568 1.00 0.00 H new ATOM 0 HG23 THR A 333 -5.083 7.483 -12.594 1.00 0.00 H new ATOM 152 N SER A 334 -9.205 7.847 -9.734 1.00 0.00 N ATOM 153 CA SER A 334 -10.106 7.951 -8.599 1.00 0.00 C ATOM 154 C SER A 334 -11.074 6.793 -8.543 1.00 0.00 C ATOM 155 O SER A 334 -12.009 6.794 -7.739 1.00 0.00 O ATOM 156 CB SER A 334 -10.860 9.264 -8.627 1.00 0.00 C ATOM 157 OG SER A 334 -9.971 10.352 -8.795 1.00 0.00 O ATOM 0 H SER A 334 -9.485 8.394 -10.548 1.00 0.00 H new ATOM 0 HA SER A 334 -9.493 7.917 -7.698 1.00 0.00 H new ATOM 0 HB2 SER A 334 -11.587 9.254 -9.440 1.00 0.00 H new ATOM 0 HB3 SER A 334 -11.420 9.386 -7.700 1.00 0.00 H new ATOM 0 HG SER A 334 -9.785 10.479 -9.749 1.00 0.00 H new ATOM 163 N ASN A 335 -10.830 5.785 -9.363 1.00 0.00 N ATOM 164 CA ASN A 335 -11.680 4.609 -9.389 1.00 0.00 C ATOM 165 C ASN A 335 -11.621 3.882 -8.049 1.00 0.00 C ATOM 166 O ASN A 335 -12.488 3.067 -7.730 1.00 0.00 O ATOM 167 CB ASN A 335 -11.275 3.666 -10.532 1.00 0.00 C ATOM 168 CG ASN A 335 -9.905 3.042 -10.323 1.00 0.00 C ATOM 169 OD1 ASN A 335 -8.887 3.646 -10.637 1.00 0.00 O ATOM 170 ND2 ASN A 335 -9.878 1.825 -9.811 1.00 0.00 N ATOM 0 H ASN A 335 -10.050 5.758 -10.019 1.00 0.00 H new ATOM 0 HA ASN A 335 -12.706 4.933 -9.565 1.00 0.00 H new ATOM 0 HB2 ASN A 335 -12.019 2.875 -10.625 1.00 0.00 H new ATOM 0 HB3 ASN A 335 -11.278 4.219 -11.471 1.00 0.00 H new ATOM 0 HD21 ASN A 335 -8.986 1.353 -9.664 1.00 0.00 H new ATOM 0 HD22 ASN A 335 -10.749 1.357 -9.563 1.00 0.00 H new ATOM 177 N TRP A 336 -10.595 4.181 -7.273 1.00 0.00 N ATOM 178 CA TRP A 336 -10.446 3.593 -5.959 1.00 0.00 C ATOM 179 C TRP A 336 -10.402 4.672 -4.894 1.00 0.00 C ATOM 180 O TRP A 336 -10.872 4.469 -3.780 1.00 0.00 O ATOM 181 CB TRP A 336 -9.206 2.692 -5.884 1.00 0.00 C ATOM 182 CG TRP A 336 -7.913 3.362 -6.260 1.00 0.00 C ATOM 183 CD1 TRP A 336 -7.412 3.525 -7.517 1.00 0.00 C ATOM 184 CD2 TRP A 336 -6.951 3.935 -5.366 1.00 0.00 C ATOM 185 NE1 TRP A 336 -6.205 4.175 -7.462 1.00 0.00 N ATOM 186 CE2 TRP A 336 -5.900 4.438 -6.155 1.00 0.00 C ATOM 187 CE3 TRP A 336 -6.880 4.077 -3.979 1.00 0.00 C ATOM 188 CZ2 TRP A 336 -4.791 5.072 -5.600 1.00 0.00 C ATOM 189 CZ3 TRP A 336 -5.779 4.704 -3.432 1.00 0.00 C ATOM 190 CH2 TRP A 336 -4.750 5.195 -4.238 1.00 0.00 C ATOM 0 H TRP A 336 -9.852 4.830 -7.533 1.00 0.00 H new ATOM 0 HA TRP A 336 -11.316 2.964 -5.773 1.00 0.00 H new ATOM 0 HB2 TRP A 336 -9.116 2.306 -4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 336 -9.358 1.834 -6.539 1.00 0.00 H new ATOM 0 HD1 TRP A 336 -7.895 3.191 -8.424 1.00 0.00 H new ATOM 0 HE1 TRP A 336 -5.628 4.422 -8.266 1.00 0.00 H new ATOM 0 HE3 TRP A 336 -7.671 3.703 -3.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 336 -3.994 5.452 -6.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 336 -5.712 4.817 -2.360 1.00 0.00 H new ATOM 0 HH2 TRP A 336 -3.904 5.682 -3.777 1.00 0.00 H new ATOM 201 N ILE A 337 -9.862 5.830 -5.255 1.00 0.00 N ATOM 202 CA ILE A 337 -9.772 6.967 -4.345 1.00 0.00 C ATOM 203 C ILE A 337 -11.149 7.346 -3.820 1.00 0.00 C ATOM 204 O ILE A 337 -11.289 7.758 -2.684 1.00 0.00 O ATOM 205 CB ILE A 337 -9.127 8.188 -5.055 1.00 0.00 C ATOM 206 CG1 ILE A 337 -7.683 7.864 -5.432 1.00 0.00 C ATOM 207 CG2 ILE A 337 -9.191 9.440 -4.184 1.00 0.00 C ATOM 208 CD1 ILE A 337 -7.047 8.873 -6.363 1.00 0.00 C ATOM 0 H ILE A 337 -9.476 6.008 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 337 -9.143 6.674 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 337 -9.694 8.395 -5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -7.087 7.799 -4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 337 -7.653 6.882 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -8.730 10.275 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -10.232 9.679 -3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -8.656 9.262 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 337 -6.023 8.571 -6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 337 -7.617 8.922 -7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -7.042 9.854 -5.888 1.00 0.00 H new ATOM 220 N ALA A 338 -12.161 7.136 -4.651 1.00 0.00 N ATOM 221 CA ALA A 338 -13.542 7.472 -4.314 1.00 0.00 C ATOM 222 C ALA A 338 -13.980 6.880 -2.967 1.00 0.00 C ATOM 223 O ALA A 338 -14.798 7.472 -2.259 1.00 0.00 O ATOM 224 CB ALA A 338 -14.470 7.004 -5.418 1.00 0.00 C ATOM 0 H ALA A 338 -12.050 6.728 -5.579 1.00 0.00 H new ATOM 0 HA ALA A 338 -13.598 8.556 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 338 -15.498 7.257 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 338 -14.199 7.494 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 338 -14.381 5.924 -5.535 1.00 0.00 H new ATOM 230 N ALA A 339 -13.438 5.719 -2.610 1.00 0.00 N ATOM 231 CA ALA A 339 -13.822 5.077 -1.362 1.00 0.00 C ATOM 232 C ALA A 339 -12.629 4.507 -0.605 1.00 0.00 C ATOM 233 O ALA A 339 -12.799 3.757 0.360 1.00 0.00 O ATOM 234 CB ALA A 339 -14.855 3.990 -1.623 1.00 0.00 C ATOM 0 H ALA A 339 -12.743 5.212 -3.158 1.00 0.00 H new ATOM 0 HA ALA A 339 -14.261 5.848 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 339 -15.133 3.518 -0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 339 -15.739 4.431 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -14.433 3.241 -2.293 1.00 0.00 H new ATOM 240 N ASN A 340 -11.427 4.865 -1.018 1.00 0.00 N ATOM 241 CA ASN A 340 -10.231 4.362 -0.348 1.00 0.00 C ATOM 242 C ASN A 340 -9.292 5.485 0.014 1.00 0.00 C ATOM 243 O ASN A 340 -8.267 5.257 0.644 1.00 0.00 O ATOM 244 CB ASN A 340 -9.493 3.342 -1.222 1.00 0.00 C ATOM 245 CG ASN A 340 -10.282 2.070 -1.444 1.00 0.00 C ATOM 246 OD1 ASN A 340 -10.151 1.100 -0.699 1.00 0.00 O ATOM 247 ND2 ASN A 340 -11.103 2.071 -2.467 1.00 0.00 N ATOM 0 H ASN A 340 -11.249 5.493 -1.802 1.00 0.00 H new ATOM 0 HA ASN A 340 -10.562 3.871 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 340 -9.267 3.795 -2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 340 -8.540 3.094 -0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 340 -11.665 1.244 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 340 -11.180 2.898 -3.059 1.00 0.00 H new ATOM 254 N THR A 341 -9.629 6.697 -0.387 1.00 0.00 N ATOM 255 CA THR A 341 -8.773 7.843 -0.108 1.00 0.00 C ATOM 256 C THR A 341 -9.580 9.142 -0.114 1.00 0.00 C ATOM 257 O THR A 341 -10.733 9.160 -0.529 1.00 0.00 O ATOM 258 CB THR A 341 -7.635 7.954 -1.145 1.00 0.00 C ATOM 259 OG1 THR A 341 -7.637 6.805 -2.005 1.00 0.00 O ATOM 260 CG2 THR A 341 -6.295 8.055 -0.452 1.00 0.00 C ATOM 0 H THR A 341 -10.481 6.916 -0.903 1.00 0.00 H new ATOM 0 HA THR A 341 -8.342 7.689 0.881 1.00 0.00 H new ATOM 0 HB THR A 341 -7.800 8.854 -1.738 1.00 0.00 H new ATOM 0 HG1 THR A 341 -6.716 6.504 -2.150 1.00 0.00 H new ATOM 0 HG21 THR A 341 -5.504 8.132 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 341 -6.281 8.939 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 341 -6.133 7.166 0.158 1.00 0.00 H new ATOM 268 N LYS A 342 -8.972 10.222 0.360 1.00 0.00 N ATOM 269 CA LYS A 342 -9.614 11.532 0.370 1.00 0.00 C ATOM 270 C LYS A 342 -8.574 12.618 0.173 1.00 0.00 C ATOM 271 O LYS A 342 -7.396 12.319 -0.056 1.00 0.00 O ATOM 272 CB LYS A 342 -10.406 11.773 1.673 1.00 0.00 C ATOM 273 CG LYS A 342 -11.562 10.805 1.870 1.00 0.00 C ATOM 274 CD LYS A 342 -12.521 11.247 2.969 1.00 0.00 C ATOM 275 CE LYS A 342 -11.842 11.308 4.324 1.00 0.00 C ATOM 276 NZ LYS A 342 -12.823 11.265 5.431 1.00 0.00 N1+ ATOM 0 H LYS A 342 -8.028 10.217 0.746 1.00 0.00 H new ATOM 0 HA LYS A 342 -10.327 11.562 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -9.727 11.692 2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -10.793 12.792 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -12.111 10.706 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -11.167 9.819 2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -12.928 12.228 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -13.362 10.556 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -11.148 10.473 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -11.253 12.223 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -12.319 11.257 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -13.438 12.102 5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -13.402 10.405 5.349 1.00 0.00 H new ATOM 290 N GLU A 343 -8.990 13.864 0.257 1.00 0.00 N ATOM 291 CA GLU A 343 -8.076 14.971 0.069 1.00 0.00 C ATOM 292 C GLU A 343 -8.041 15.869 1.287 1.00 0.00 C ATOM 293 O GLU A 343 -8.806 15.683 2.238 1.00 0.00 O ATOM 294 CB GLU A 343 -8.456 15.792 -1.165 1.00 0.00 C ATOM 295 CG GLU A 343 -8.523 14.979 -2.439 1.00 0.00 C ATOM 296 CD GLU A 343 -8.595 15.832 -3.670 1.00 0.00 C ATOM 297 OE1 GLU A 343 -9.691 16.357 -3.969 1.00 0.00 O ATOM 298 OE2 GLU A 343 -7.565 15.973 -4.357 1.00 0.00 O1- ATOM 0 H GLU A 343 -9.953 14.136 0.454 1.00 0.00 H new ATOM 0 HA GLU A 343 -7.083 14.547 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -9.424 16.263 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -7.730 16.595 -1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -7.646 14.335 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -9.396 14.327 -2.403 1.00 0.00 H new ATOM 305 N CYS A 344 -7.139 16.828 1.254 1.00 0.00 N ATOM 306 CA CYS A 344 -7.004 17.795 2.316 1.00 0.00 C ATOM 307 C CYS A 344 -8.117 18.827 2.219 1.00 0.00 C ATOM 308 O CYS A 344 -8.347 19.396 1.158 1.00 0.00 O ATOM 309 CB CYS A 344 -5.641 18.479 2.222 1.00 0.00 C ATOM 310 SG CYS A 344 -5.333 19.767 3.481 1.00 0.00 S ATOM 0 H CYS A 344 -6.479 16.956 0.487 1.00 0.00 H new ATOM 0 HA CYS A 344 -7.078 17.286 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 344 -4.864 17.719 2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 344 -5.544 18.928 1.234 1.00 0.00 H new ATOM 315 N PRO A 345 -8.811 19.088 3.323 1.00 0.00 N ATOM 316 CA PRO A 345 -9.889 20.068 3.356 1.00 0.00 C ATOM 317 C PRO A 345 -9.357 21.500 3.409 1.00 0.00 C ATOM 318 O PRO A 345 -10.123 22.457 3.516 1.00 0.00 O ATOM 319 CB PRO A 345 -10.632 19.726 4.647 1.00 0.00 C ATOM 320 CG PRO A 345 -9.602 19.107 5.531 1.00 0.00 C ATOM 321 CD PRO A 345 -8.603 18.437 4.625 1.00 0.00 C ATOM 0 HA PRO A 345 -10.515 20.026 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 345 -11.060 20.618 5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 345 -11.456 19.038 4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 345 -9.118 19.863 6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 345 -10.057 18.384 6.208 1.00 0.00 H new ATOM 0 HD2 PRO A 345 -7.583 18.577 4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 345 -8.775 17.362 4.566 1.00 0.00 H new ATOM 329 N LYS A 346 -8.046 21.639 3.324 1.00 0.00 N ATOM 330 CA LYS A 346 -7.413 22.933 3.385 1.00 0.00 C ATOM 331 C LYS A 346 -6.824 23.348 2.032 1.00 0.00 C ATOM 332 O LYS A 346 -7.098 24.442 1.537 1.00 0.00 O ATOM 333 CB LYS A 346 -6.348 22.946 4.492 1.00 0.00 C ATOM 334 CG LYS A 346 -5.232 23.951 4.283 1.00 0.00 C ATOM 335 CD LYS A 346 -4.493 24.277 5.581 1.00 0.00 C ATOM 336 CE LYS A 346 -5.246 25.278 6.462 1.00 0.00 C ATOM 337 NZ LYS A 346 -6.503 24.723 7.035 1.00 0.00 N1+ ATOM 0 H LYS A 346 -7.398 20.859 3.211 1.00 0.00 H new ATOM 0 HA LYS A 346 -8.176 23.672 3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -6.835 23.157 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.912 21.950 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.524 23.558 3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.646 24.868 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -4.332 23.357 6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -3.509 24.680 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -4.594 25.599 7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -5.483 26.164 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -6.768 25.266 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -7.264 24.788 6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -6.356 23.727 7.295 1.00 0.00 H new ATOM 351 N CYS A 347 -6.022 22.483 1.432 1.00 0.00 N ATOM 352 CA CYS A 347 -5.402 22.801 0.148 1.00 0.00 C ATOM 353 C CYS A 347 -5.944 21.927 -0.982 1.00 0.00 C ATOM 354 O CYS A 347 -5.648 22.171 -2.156 1.00 0.00 O ATOM 355 CB CYS A 347 -3.889 22.659 0.244 1.00 0.00 C ATOM 356 SG CYS A 347 -3.328 21.020 0.757 1.00 0.00 S ATOM 0 H CYS A 347 -5.784 21.564 1.805 1.00 0.00 H new ATOM 0 HA CYS A 347 -5.653 23.835 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -3.451 22.893 -0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -3.510 23.398 0.951 1.00 0.00 H new ATOM 361 N HIS A 348 -6.733 20.925 -0.616 1.00 0.00 N ATOM 362 CA HIS A 348 -7.315 19.974 -1.564 1.00 0.00 C ATOM 363 C HIS A 348 -6.247 19.219 -2.312 1.00 0.00 C ATOM 364 O HIS A 348 -6.041 19.414 -3.510 1.00 0.00 O ATOM 365 CB HIS A 348 -8.294 20.632 -2.543 1.00 0.00 C ATOM 366 CG HIS A 348 -9.584 21.065 -1.920 1.00 0.00 C ATOM 367 ND1 HIS A 348 -10.795 20.676 -2.441 1.00 0.00 N ATOM 368 CD2 HIS A 348 -9.798 21.843 -0.834 1.00 0.00 C ATOM 369 CE1 HIS A 348 -11.713 21.221 -1.663 1.00 0.00 C ATOM 370 NE2 HIS A 348 -11.156 21.935 -0.676 1.00 0.00 N ATOM 0 H HIS A 348 -6.991 20.745 0.354 1.00 0.00 H new ATOM 0 HA HIS A 348 -7.889 19.265 -0.967 1.00 0.00 H new ATOM 0 HB2 HIS A 348 -7.812 21.499 -2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 348 -8.510 19.932 -3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 348 -9.044 22.303 -0.212 1.00 0.00 H new ATOM 0 HE1 HIS A 348 -12.777 21.106 -1.805 1.00 0.00 H new ATOM 0 HE2 HIS A 348 -11.649 22.449 0.054 1.00 0.00 H new ATOM 378 N VAL A 349 -5.548 18.383 -1.592 1.00 0.00 N ATOM 379 CA VAL A 349 -4.530 17.551 -2.171 1.00 0.00 C ATOM 380 C VAL A 349 -4.830 16.100 -1.834 1.00 0.00 C ATOM 381 O VAL A 349 -5.232 15.793 -0.712 1.00 0.00 O ATOM 382 CB VAL A 349 -3.111 17.938 -1.662 1.00 0.00 C ATOM 383 CG1 VAL A 349 -2.995 17.737 -0.167 1.00 0.00 C ATOM 384 CG2 VAL A 349 -2.033 17.153 -2.394 1.00 0.00 C ATOM 0 H VAL A 349 -5.669 18.260 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 349 -4.536 17.695 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 349 -2.962 18.997 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 349 -1.993 18.015 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 349 -3.730 18.361 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 349 -3.178 16.690 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 349 -1.052 17.444 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 349 -2.184 16.086 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 349 -2.090 17.365 -3.462 1.00 0.00 H new ATOM 394 N THR A 350 -4.672 15.221 -2.798 1.00 0.00 N ATOM 395 CA THR A 350 -4.931 13.819 -2.583 1.00 0.00 C ATOM 396 C THR A 350 -3.943 13.244 -1.576 1.00 0.00 C ATOM 397 O THR A 350 -2.741 13.144 -1.847 1.00 0.00 O ATOM 398 CB THR A 350 -4.851 13.043 -3.898 1.00 0.00 C ATOM 399 OG1 THR A 350 -5.507 13.805 -4.932 1.00 0.00 O ATOM 400 CG2 THR A 350 -5.531 11.684 -3.766 1.00 0.00 C ATOM 0 H THR A 350 -4.364 15.456 -3.742 1.00 0.00 H new ATOM 0 HA THR A 350 -5.940 13.719 -2.184 1.00 0.00 H new ATOM 0 HB THR A 350 -3.803 12.884 -4.151 1.00 0.00 H new ATOM 0 HG1 THR A 350 -6.196 14.375 -4.531 1.00 0.00 H new ATOM 0 HG21 THR A 350 -5.462 11.149 -4.713 1.00 0.00 H new ATOM 0 HG22 THR A 350 -5.038 11.105 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 350 -6.580 11.826 -3.505 1.00 0.00 H new ATOM 408 N ILE A 351 -4.453 12.891 -0.413 1.00 0.00 N ATOM 409 CA ILE A 351 -3.642 12.352 0.649 1.00 0.00 C ATOM 410 C ILE A 351 -3.832 10.846 0.695 1.00 0.00 C ATOM 411 O ILE A 351 -4.312 10.262 -0.266 1.00 0.00 O ATOM 412 CB ILE A 351 -4.038 12.976 2.016 1.00 0.00 C ATOM 413 CG1 ILE A 351 -5.459 12.561 2.396 1.00 0.00 C ATOM 414 CG2 ILE A 351 -3.921 14.500 1.968 1.00 0.00 C ATOM 415 CD1 ILE A 351 -6.006 13.277 3.605 1.00 0.00 C ATOM 0 H ILE A 351 -5.443 12.972 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 351 -2.596 12.592 0.457 1.00 0.00 H new ATOM 0 HB ILE A 351 -3.351 12.605 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 351 -6.119 12.745 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 351 -5.475 11.488 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 351 -4.203 14.917 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 351 -2.893 14.779 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 351 -4.584 14.892 1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 351 -7.018 12.926 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 351 -5.371 13.073 4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 351 -6.025 14.350 3.415 1.00 0.00 H new ATOM 427 N GLU A 352 -3.461 10.228 1.797 1.00 0.00 N ATOM 428 CA GLU A 352 -3.635 8.798 1.954 1.00 0.00 C ATOM 429 C GLU A 352 -3.616 8.437 3.427 1.00 0.00 C ATOM 430 O GLU A 352 -2.664 8.760 4.138 1.00 0.00 O ATOM 431 CB GLU A 352 -2.546 8.033 1.210 1.00 0.00 C ATOM 432 CG GLU A 352 -2.880 6.570 0.984 1.00 0.00 C ATOM 433 CD GLU A 352 -1.732 5.798 0.371 1.00 0.00 C ATOM 434 OE1 GLU A 352 -1.307 6.139 -0.761 1.00 0.00 O ATOM 435 OE2 GLU A 352 -1.244 4.841 1.015 1.00 0.00 O1- ATOM 0 H GLU A 352 -3.036 10.694 2.599 1.00 0.00 H new ATOM 0 HA GLU A 352 -4.598 8.517 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -2.372 8.511 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 352 -1.615 8.102 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -3.154 6.113 1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -3.751 6.497 0.333 1.00 0.00 H new ATOM 442 N LYS A 353 -4.674 7.793 3.886 1.00 0.00 N ATOM 443 CA LYS A 353 -4.789 7.411 5.281 1.00 0.00 C ATOM 444 C LYS A 353 -3.913 6.212 5.583 1.00 0.00 C ATOM 445 O LYS A 353 -3.775 5.307 4.760 1.00 0.00 O ATOM 446 CB LYS A 353 -6.244 7.089 5.636 1.00 0.00 C ATOM 447 CG LYS A 353 -6.459 6.693 7.090 1.00 0.00 C ATOM 448 CD LYS A 353 -6.322 7.876 8.027 1.00 0.00 C ATOM 449 CE LYS A 353 -6.585 7.463 9.463 1.00 0.00 C ATOM 450 NZ LYS A 353 -7.908 6.783 9.622 1.00 0.00 N1+ ATOM 0 H LYS A 353 -5.470 7.522 3.309 1.00 0.00 H new ATOM 0 HA LYS A 353 -4.455 8.254 5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -6.862 7.959 5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -6.592 6.279 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -7.450 6.254 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -5.737 5.925 7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -5.320 8.297 7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -7.022 8.659 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -5.792 6.794 9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -6.552 8.344 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -8.185 6.792 10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -8.626 7.284 9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -7.835 5.800 9.292 1.00 0.00 H new ATOM 464 N ASP A 354 -3.326 6.208 6.758 1.00 0.00 N ATOM 465 CA ASP A 354 -2.494 5.102 7.180 1.00 0.00 C ATOM 466 C ASP A 354 -3.144 4.377 8.335 1.00 0.00 C ATOM 467 O ASP A 354 -3.064 3.160 8.442 1.00 0.00 O ATOM 468 CB ASP A 354 -1.121 5.594 7.600 1.00 0.00 C ATOM 469 CG ASP A 354 -0.173 4.447 7.895 1.00 0.00 C ATOM 470 OD1 ASP A 354 0.349 3.840 6.932 1.00 0.00 O ATOM 471 OD2 ASP A 354 0.050 4.145 9.085 1.00 0.00 O1- ATOM 0 H ASP A 354 -3.409 6.961 7.441 1.00 0.00 H new ATOM 0 HA ASP A 354 -2.381 4.419 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -0.702 6.217 6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -1.216 6.223 8.485 1.00 0.00 H new ATOM 476 N GLY A 355 -3.802 5.134 9.191 1.00 0.00 N ATOM 477 CA GLY A 355 -4.453 4.569 10.338 1.00 0.00 C ATOM 478 C GLY A 355 -4.087 5.306 11.602 1.00 0.00 C ATOM 479 O GLY A 355 -4.333 6.517 11.718 1.00 0.00 O ATOM 0 H GLY A 355 -3.895 6.146 9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 355 -5.533 4.601 10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 355 -4.175 3.519 10.435 1.00 0.00 H new ATOM 483 N GLY A 356 -3.483 4.593 12.531 1.00 0.00 N ATOM 484 CA GLY A 356 -3.073 5.185 13.785 1.00 0.00 C ATOM 485 C GLY A 356 -4.245 5.680 14.605 1.00 0.00 C ATOM 486 O GLY A 356 -5.306 5.054 14.630 1.00 0.00 O ATOM 0 H GLY A 356 -3.265 3.601 12.439 1.00 0.00 H new ATOM 0 HA2 GLY A 356 -2.514 4.450 14.364 1.00 0.00 H new ATOM 0 HA3 GLY A 356 -2.396 6.016 13.586 1.00 0.00 H new ATOM 490 N SER A 357 -4.059 6.814 15.252 1.00 0.00 N ATOM 491 CA SER A 357 -5.089 7.418 16.080 1.00 0.00 C ATOM 492 C SER A 357 -5.995 8.325 15.250 1.00 0.00 C ATOM 493 O SER A 357 -6.713 9.162 15.799 1.00 0.00 O ATOM 494 CB SER A 357 -4.432 8.228 17.193 1.00 0.00 C ATOM 495 OG SER A 357 -3.531 7.428 17.941 1.00 0.00 O ATOM 0 H SER A 357 -3.189 7.345 15.219 1.00 0.00 H new ATOM 0 HA SER A 357 -5.700 6.624 16.509 1.00 0.00 H new ATOM 0 HB2 SER A 357 -3.900 9.077 16.764 1.00 0.00 H new ATOM 0 HB3 SER A 357 -5.198 8.633 17.854 1.00 0.00 H new ATOM 0 HG SER A 357 -3.121 7.970 18.647 1.00 0.00 H new ATOM 501 N ASN A 358 -5.943 8.150 13.918 1.00 0.00 N ATOM 502 CA ASN A 358 -6.720 8.955 12.966 1.00 0.00 C ATOM 503 C ASN A 358 -6.096 10.315 12.783 1.00 0.00 C ATOM 504 O ASN A 358 -6.655 11.190 12.116 1.00 0.00 O ATOM 505 CB ASN A 358 -8.201 9.071 13.367 1.00 0.00 C ATOM 506 CG ASN A 358 -8.967 7.787 13.127 1.00 0.00 C ATOM 507 OD1 ASN A 358 -8.678 7.048 12.185 1.00 0.00 O ATOM 508 ND2 ASN A 358 -9.931 7.504 13.979 1.00 0.00 N ATOM 0 H ASN A 358 -5.358 7.443 13.472 1.00 0.00 H new ATOM 0 HA ASN A 358 -6.696 8.433 12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 358 -8.269 9.340 14.421 1.00 0.00 H new ATOM 0 HB3 ASN A 358 -8.665 9.879 12.802 1.00 0.00 H new ATOM 0 HD21 ASN A 358 -10.470 6.645 13.872 1.00 0.00 H new ATOM 0 HD22 ASN A 358 -10.138 8.144 14.746 1.00 0.00 H new ATOM 515 N HIS A 359 -4.914 10.479 13.370 1.00 0.00 N ATOM 516 CA HIS A 359 -4.150 11.700 13.243 1.00 0.00 C ATOM 517 C HIS A 359 -3.564 11.783 11.838 1.00 0.00 C ATOM 518 O HIS A 359 -2.463 11.299 11.574 1.00 0.00 O ATOM 519 CB HIS A 359 -3.037 11.741 14.303 1.00 0.00 C ATOM 520 CG HIS A 359 -2.342 13.071 14.443 1.00 0.00 C ATOM 521 ND1 HIS A 359 -1.535 13.334 15.520 1.00 0.00 N ATOM 522 CD2 HIS A 359 -2.357 14.156 13.627 1.00 0.00 C ATOM 523 CE1 HIS A 359 -1.081 14.559 15.339 1.00 0.00 C ATOM 524 NE2 HIS A 359 -1.547 15.096 14.211 1.00 0.00 N ATOM 0 H HIS A 359 -4.466 9.766 13.945 1.00 0.00 H new ATOM 0 HA HIS A 359 -4.802 12.558 13.405 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -3.464 11.467 15.268 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -2.293 10.983 14.057 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -2.901 14.259 12.699 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -0.414 15.065 16.021 1.00 0.00 H new ATOM 0 HE2 HIS A 359 -1.340 16.028 13.851 1.00 0.00 H new ATOM 532 N MET A 360 -4.332 12.339 10.947 1.00 0.00 N ATOM 533 CA MET A 360 -3.928 12.501 9.566 1.00 0.00 C ATOM 534 C MET A 360 -3.273 13.861 9.337 1.00 0.00 C ATOM 535 O MET A 360 -3.728 14.880 9.851 1.00 0.00 O ATOM 536 CB MET A 360 -5.147 12.307 8.642 1.00 0.00 C ATOM 537 CG MET A 360 -5.063 13.040 7.309 1.00 0.00 C ATOM 538 SD MET A 360 -3.706 12.472 6.262 1.00 0.00 S ATOM 539 CE MET A 360 -4.267 10.835 5.845 1.00 0.00 C ATOM 0 H MET A 360 -5.265 12.698 11.152 1.00 0.00 H new ATOM 0 HA MET A 360 -3.183 11.742 9.328 1.00 0.00 H new ATOM 0 HB2 MET A 360 -5.271 11.242 8.447 1.00 0.00 H new ATOM 0 HB3 MET A 360 -6.041 12.641 9.169 1.00 0.00 H new ATOM 0 HG2 MET A 360 -6.003 12.913 6.773 1.00 0.00 H new ATOM 0 HG3 MET A 360 -4.945 14.107 7.497 1.00 0.00 H new ATOM 0 HE1 MET A 360 -3.516 10.105 6.148 1.00 0.00 H new ATOM 0 HE2 MET A 360 -5.204 10.629 6.363 1.00 0.00 H new ATOM 0 HE3 MET A 360 -4.425 10.768 4.769 1.00 0.00 H new ATOM 549 N VAL A 361 -2.201 13.862 8.576 1.00 0.00 N ATOM 550 CA VAL A 361 -1.508 15.078 8.237 1.00 0.00 C ATOM 551 C VAL A 361 -1.284 15.167 6.730 1.00 0.00 C ATOM 552 O VAL A 361 -0.910 14.179 6.078 1.00 0.00 O ATOM 553 CB VAL A 361 -0.167 15.229 9.008 1.00 0.00 C ATOM 554 CG1 VAL A 361 0.717 14.013 8.831 1.00 0.00 C ATOM 555 CG2 VAL A 361 0.565 16.493 8.589 1.00 0.00 C ATOM 0 H VAL A 361 -1.788 13.019 8.177 1.00 0.00 H new ATOM 0 HA VAL A 361 -2.144 15.908 8.545 1.00 0.00 H new ATOM 0 HB VAL A 361 -0.409 15.311 10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 361 1.646 14.155 9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 361 0.201 13.130 9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 361 0.942 13.878 7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 361 1.500 16.573 9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 361 0.780 16.452 7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 361 -0.058 17.362 8.801 1.00 0.00 H new ATOM 565 N CYS A 362 -1.538 16.352 6.192 1.00 0.00 N ATOM 566 CA CYS A 362 -1.433 16.629 4.768 1.00 0.00 C ATOM 567 C CYS A 362 -0.088 16.203 4.191 1.00 0.00 C ATOM 568 O CYS A 362 0.931 16.175 4.891 1.00 0.00 O ATOM 569 CB CYS A 362 -1.644 18.112 4.530 1.00 0.00 C ATOM 570 SG CYS A 362 -1.778 18.573 2.787 1.00 0.00 S ATOM 0 H CYS A 362 -1.827 17.160 6.743 1.00 0.00 H new ATOM 0 HA CYS A 362 -2.202 16.047 4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 362 -2.550 18.426 5.048 1.00 0.00 H new ATOM 0 HB3 CYS A 362 -0.815 18.661 4.977 1.00 0.00 H new ATOM 575 N ARG A 363 -0.092 15.888 2.908 1.00 0.00 N ATOM 576 CA ARG A 363 1.119 15.476 2.218 1.00 0.00 C ATOM 577 C ARG A 363 1.738 16.679 1.544 1.00 0.00 C ATOM 578 O ARG A 363 2.955 16.746 1.352 1.00 0.00 O ATOM 579 CB ARG A 363 0.820 14.416 1.147 1.00 0.00 C ATOM 580 CG ARG A 363 -0.335 13.471 1.473 1.00 0.00 C ATOM 581 CD ARG A 363 -0.166 12.782 2.831 1.00 0.00 C ATOM 582 NE ARG A 363 1.113 12.079 2.948 1.00 0.00 N ATOM 583 CZ ARG A 363 1.974 12.246 3.958 1.00 0.00 C ATOM 584 NH1 ARG A 363 1.685 13.072 4.964 1.00 0.00 N1+ ATOM 585 NH2 ARG A 363 3.118 11.573 3.970 1.00 0.00 N ATOM 0 H ARG A 363 -0.925 15.910 2.320 1.00 0.00 H new ATOM 0 HA ARG A 363 1.800 15.047 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 363 0.599 14.923 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.720 13.822 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 363 -1.270 14.031 1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 363 -0.412 12.714 0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 363 -0.242 13.526 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 363 -0.981 12.074 2.979 1.00 0.00 H new ATOM 0 HE ARG A 363 1.364 11.419 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 363 0.802 13.582 4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 363 2.347 13.194 5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 363 3.339 10.930 3.210 1.00 0.00 H new ATOM 0 HH22 ARG A 363 3.776 11.699 4.739 1.00 0.00 H new ATOM 599 N ASN A 364 0.884 17.629 1.188 1.00 0.00 N ATOM 600 CA ASN A 364 1.305 18.838 0.511 1.00 0.00 C ATOM 601 C ASN A 364 2.320 19.596 1.340 1.00 0.00 C ATOM 602 O ASN A 364 2.042 20.004 2.466 1.00 0.00 O ATOM 603 CB ASN A 364 0.089 19.720 0.193 1.00 0.00 C ATOM 604 CG ASN A 364 0.440 21.030 -0.489 1.00 0.00 C ATOM 605 OD1 ASN A 364 1.512 21.175 -1.085 1.00 0.00 O ATOM 606 ND2 ASN A 364 -0.474 21.978 -0.434 1.00 0.00 N ATOM 0 H ASN A 364 -0.120 17.579 1.363 1.00 0.00 H new ATOM 0 HA ASN A 364 1.784 18.559 -0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 364 -0.595 19.161 -0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 364 -0.443 19.935 1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 364 -0.309 22.873 -0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 364 -1.346 21.817 0.069 1.00 0.00 H new ATOM 613 N GLN A 365 3.501 19.770 0.775 1.00 0.00 N ATOM 614 CA GLN A 365 4.588 20.486 1.442 1.00 0.00 C ATOM 615 C GLN A 365 4.288 21.973 1.562 1.00 0.00 C ATOM 616 O GLN A 365 5.023 22.711 2.198 1.00 0.00 O ATOM 617 CB GLN A 365 5.917 20.281 0.715 1.00 0.00 C ATOM 618 CG GLN A 365 5.812 20.316 -0.798 1.00 0.00 C ATOM 619 CD GLN A 365 5.711 18.933 -1.415 1.00 0.00 C ATOM 620 OE1 GLN A 365 5.185 17.973 -0.665 1.00 0.00 O flip ATOM 621 NE2 GLN A 365 6.124 18.724 -2.548 1.00 0.00 N flip ATOM 0 H GLN A 365 3.739 19.423 -0.154 1.00 0.00 H new ATOM 0 HA GLN A 365 4.672 20.070 2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 365 6.617 21.052 1.037 1.00 0.00 H new ATOM 0 HB3 GLN A 365 6.339 19.322 1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 365 4.937 20.900 -1.083 1.00 0.00 H new ATOM 0 HG3 GLN A 365 6.684 20.828 -1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 365 6.522 19.488 -3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 365 6.070 17.786 -2.946 1.00 0.00 H new ATOM 630 N ASN A 366 3.225 22.399 0.925 1.00 0.00 N ATOM 631 CA ASN A 366 2.773 23.783 1.011 1.00 0.00 C ATOM 632 C ASN A 366 1.597 23.866 1.969 1.00 0.00 C ATOM 633 O ASN A 366 0.841 24.841 1.975 1.00 0.00 O ATOM 634 CB ASN A 366 2.349 24.302 -0.366 1.00 0.00 C ATOM 635 CG ASN A 366 3.479 24.307 -1.368 1.00 0.00 C ATOM 636 OD1 ASN A 366 4.236 25.271 -1.461 1.00 0.00 O ATOM 637 ND2 ASN A 366 3.595 23.238 -2.136 1.00 0.00 N ATOM 0 H ASN A 366 2.645 21.806 0.332 1.00 0.00 H new ATOM 0 HA ASN A 366 3.595 24.399 1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 366 1.536 23.684 -0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 366 1.958 25.314 -0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 366 4.334 23.192 -2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 366 2.946 22.459 -2.027 1.00 0.00 H new ATOM 644 N CYS A 367 1.442 22.828 2.778 1.00 0.00 N ATOM 645 CA CYS A 367 0.352 22.749 3.719 1.00 0.00 C ATOM 646 C CYS A 367 0.806 22.070 4.998 1.00 0.00 C ATOM 647 O CYS A 367 1.057 22.734 6.008 1.00 0.00 O ATOM 648 CB CYS A 367 -0.808 21.985 3.095 1.00 0.00 C ATOM 649 SG CYS A 367 -2.330 21.960 4.094 1.00 0.00 S ATOM 0 H CYS A 367 2.069 22.024 2.795 1.00 0.00 H new ATOM 0 HA CYS A 367 0.021 23.758 3.967 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -1.035 22.425 2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -0.492 20.958 2.913 1.00 0.00 H new ATOM 654 N LYS A 368 0.938 20.738 4.940 1.00 0.00 N ATOM 655 CA LYS A 368 1.366 19.934 6.093 1.00 0.00 C ATOM 656 C LYS A 368 0.399 20.096 7.267 1.00 0.00 C ATOM 657 O LYS A 368 0.778 19.939 8.426 1.00 0.00 O ATOM 658 CB LYS A 368 2.781 20.341 6.506 1.00 0.00 C ATOM 659 CG LYS A 368 3.798 20.172 5.398 1.00 0.00 C ATOM 660 CD LYS A 368 4.946 21.164 5.516 1.00 0.00 C ATOM 661 CE LYS A 368 4.515 22.591 5.146 1.00 0.00 C ATOM 662 NZ LYS A 368 3.848 23.323 6.262 1.00 0.00 N1+ ATOM 0 H LYS A 368 0.753 20.191 4.099 1.00 0.00 H new ATOM 0 HA LYS A 368 1.364 18.883 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 368 2.773 21.383 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 368 3.087 19.745 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 368 4.193 19.157 5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 368 3.307 20.300 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 368 5.330 21.154 6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 368 5.763 20.852 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 368 5.391 23.155 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 368 3.836 22.547 4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 4.103 24.330 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 2.816 23.223 6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 4.159 22.927 7.172 1.00 0.00 H new ATOM 676 N ALA A 369 -0.848 20.397 6.952 1.00 0.00 N ATOM 677 CA ALA A 369 -1.862 20.594 7.962 1.00 0.00 C ATOM 678 C ALA A 369 -2.296 19.271 8.573 1.00 0.00 C ATOM 679 O ALA A 369 -2.574 18.308 7.861 1.00 0.00 O ATOM 680 CB ALA A 369 -3.060 21.319 7.369 1.00 0.00 C ATOM 0 H ALA A 369 -1.181 20.510 5.995 1.00 0.00 H new ATOM 0 HA ALA A 369 -1.433 21.206 8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 369 -3.817 21.461 8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 369 -2.745 22.290 6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 369 -3.478 20.726 6.555 1.00 0.00 H new ATOM 686 N GLU A 370 -2.331 19.224 9.887 1.00 0.00 N ATOM 687 CA GLU A 370 -2.793 18.048 10.594 1.00 0.00 C ATOM 688 C GLU A 370 -4.277 18.189 10.872 1.00 0.00 C ATOM 689 O GLU A 370 -4.696 19.098 11.596 1.00 0.00 O ATOM 690 CB GLU A 370 -2.022 17.873 11.898 1.00 0.00 C ATOM 691 CG GLU A 370 -0.530 17.679 11.701 1.00 0.00 C ATOM 692 CD GLU A 370 0.254 17.928 12.959 1.00 0.00 C ATOM 693 OE1 GLU A 370 0.405 16.993 13.763 1.00 0.00 O1- ATOM 694 OE2 GLU A 370 0.730 19.063 13.152 1.00 0.00 O ATOM 0 H GLU A 370 -2.043 19.993 10.492 1.00 0.00 H new ATOM 0 HA GLU A 370 -2.621 17.165 9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -2.186 18.748 12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -2.424 17.014 12.435 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -0.342 16.663 11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -0.179 18.353 10.919 1.00 0.00 H new ATOM 701 N PHE A 371 -5.064 17.311 10.300 1.00 0.00 N ATOM 702 CA PHE A 371 -6.503 17.386 10.435 1.00 0.00 C ATOM 703 C PHE A 371 -7.111 16.031 10.726 1.00 0.00 C ATOM 704 O PHE A 371 -6.501 14.987 10.476 1.00 0.00 O ATOM 705 CB PHE A 371 -7.140 17.989 9.168 1.00 0.00 C ATOM 706 CG PHE A 371 -6.686 17.364 7.881 1.00 0.00 C ATOM 707 CD1 PHE A 371 -7.331 16.254 7.367 1.00 0.00 C ATOM 708 CD2 PHE A 371 -5.616 17.894 7.185 1.00 0.00 C ATOM 709 CE1 PHE A 371 -6.915 15.685 6.182 1.00 0.00 C ATOM 710 CE2 PHE A 371 -5.195 17.331 6.003 1.00 0.00 C ATOM 711 CZ PHE A 371 -5.844 16.226 5.499 1.00 0.00 C ATOM 0 H PHE A 371 -4.732 16.531 9.733 1.00 0.00 H new ATOM 0 HA PHE A 371 -6.713 18.038 11.283 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -8.223 17.892 9.241 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -6.916 19.055 9.137 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -8.169 15.829 7.899 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -5.104 18.761 7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -7.426 14.818 5.789 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -4.356 17.755 5.471 1.00 0.00 H new ATOM 0 HZ PHE A 371 -5.516 15.783 4.570 1.00 0.00 H new ATOM 721 N CYS A 372 -8.319 16.054 11.252 1.00 0.00 N ATOM 722 CA CYS A 372 -9.047 14.849 11.543 1.00 0.00 C ATOM 723 C CYS A 372 -9.533 14.243 10.253 1.00 0.00 C ATOM 724 O CYS A 372 -10.433 14.772 9.629 1.00 0.00 O ATOM 725 CB CYS A 372 -10.241 15.158 12.451 1.00 0.00 C ATOM 726 SG CYS A 372 -11.197 13.691 12.968 1.00 0.00 S ATOM 0 H CYS A 372 -8.818 16.912 11.487 1.00 0.00 H new ATOM 0 HA CYS A 372 -8.390 14.147 12.057 1.00 0.00 H new ATOM 0 HB2 CYS A 372 -9.881 15.674 13.341 1.00 0.00 H new ATOM 0 HB3 CYS A 372 -10.908 15.846 11.932 1.00 0.00 H new ATOM 731 N TRP A 373 -8.917 13.160 9.839 1.00 0.00 N ATOM 732 CA TRP A 373 -9.317 12.466 8.621 1.00 0.00 C ATOM 733 C TRP A 373 -10.793 12.063 8.670 1.00 0.00 C ATOM 734 O TRP A 373 -11.484 12.072 7.648 1.00 0.00 O ATOM 735 CB TRP A 373 -8.437 11.224 8.418 1.00 0.00 C ATOM 736 CG TRP A 373 -9.013 10.201 7.481 1.00 0.00 C ATOM 737 CD1 TRP A 373 -9.939 9.251 7.789 1.00 0.00 C ATOM 738 CD2 TRP A 373 -8.699 10.017 6.099 1.00 0.00 C ATOM 739 NE1 TRP A 373 -10.221 8.491 6.690 1.00 0.00 N ATOM 740 CE2 TRP A 373 -9.475 8.935 5.638 1.00 0.00 C ATOM 741 CE3 TRP A 373 -7.844 10.655 5.206 1.00 0.00 C ATOM 742 CZ2 TRP A 373 -9.418 8.482 4.325 1.00 0.00 C ATOM 743 CZ3 TRP A 373 -7.790 10.202 3.903 1.00 0.00 C ATOM 744 CH2 TRP A 373 -8.570 9.128 3.477 1.00 0.00 C ATOM 0 H TRP A 373 -8.130 12.732 10.327 1.00 0.00 H new ATOM 0 HA TRP A 373 -9.184 13.147 7.781 1.00 0.00 H new ATOM 0 HB2 TRP A 373 -7.466 11.540 8.038 1.00 0.00 H new ATOM 0 HB3 TRP A 373 -8.263 10.755 9.386 1.00 0.00 H new ATOM 0 HD1 TRP A 373 -10.386 9.118 8.763 1.00 0.00 H new ATOM 0 HE1 TRP A 373 -10.883 7.716 6.661 1.00 0.00 H new ATOM 0 HE3 TRP A 373 -7.235 11.488 5.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 373 -10.022 7.651 3.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 373 -7.131 10.689 3.200 1.00 0.00 H new ATOM 0 HH2 TRP A 373 -8.500 8.800 2.450 1.00 0.00 H new ATOM 755 N VAL A 374 -11.259 11.726 9.866 1.00 0.00 N ATOM 756 CA VAL A 374 -12.619 11.237 10.076 1.00 0.00 C ATOM 757 C VAL A 374 -13.664 12.189 9.500 1.00 0.00 C ATOM 758 O VAL A 374 -14.449 11.813 8.628 1.00 0.00 O ATOM 759 CB VAL A 374 -12.896 11.021 11.581 1.00 0.00 C ATOM 760 CG1 VAL A 374 -14.286 10.441 11.806 1.00 0.00 C ATOM 761 CG2 VAL A 374 -11.832 10.120 12.189 1.00 0.00 C ATOM 0 H VAL A 374 -10.705 11.784 10.720 1.00 0.00 H new ATOM 0 HA VAL A 374 -12.697 10.286 9.550 1.00 0.00 H new ATOM 0 HB VAL A 374 -12.856 11.991 12.077 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -14.453 10.300 12.874 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -15.035 11.126 11.409 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -14.367 9.481 11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -12.039 9.976 13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -11.841 9.154 11.683 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.852 10.583 12.070 1.00 0.00 H new ATOM 771 N CYS A 375 -13.656 13.421 9.965 1.00 0.00 N ATOM 772 CA CYS A 375 -14.632 14.398 9.522 1.00 0.00 C ATOM 773 C CYS A 375 -13.997 15.445 8.610 1.00 0.00 C ATOM 774 O CYS A 375 -14.684 16.353 8.120 1.00 0.00 O ATOM 775 CB CYS A 375 -15.271 15.067 10.736 1.00 0.00 C ATOM 776 SG CYS A 375 -14.071 15.778 11.906 1.00 0.00 S ATOM 0 H CYS A 375 -12.985 13.771 10.649 1.00 0.00 H new ATOM 0 HA CYS A 375 -15.400 13.882 8.945 1.00 0.00 H new ATOM 0 HB2 CYS A 375 -15.940 15.856 10.393 1.00 0.00 H new ATOM 0 HB3 CYS A 375 -15.885 14.335 11.261 1.00 0.00 H new ATOM 781 N LEU A 376 -12.696 15.302 8.378 1.00 0.00 N ATOM 782 CA LEU A 376 -11.924 16.263 7.583 1.00 0.00 C ATOM 783 C LEU A 376 -12.046 17.670 8.159 1.00 0.00 C ATOM 784 O LEU A 376 -12.578 18.580 7.520 1.00 0.00 O ATOM 785 CB LEU A 376 -12.326 16.231 6.099 1.00 0.00 C ATOM 786 CG LEU A 376 -11.918 14.979 5.321 1.00 0.00 C ATOM 787 CD1 LEU A 376 -12.382 15.077 3.879 1.00 0.00 C ATOM 788 CD2 LEU A 376 -10.409 14.779 5.382 1.00 0.00 C ATOM 0 H LEU A 376 -12.144 14.521 8.733 1.00 0.00 H new ATOM 0 HA LEU A 376 -10.877 15.965 7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -13.409 16.338 6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -11.889 17.099 5.606 1.00 0.00 H new ATOM 0 HG LEU A 376 -12.398 14.116 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -12.084 14.178 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -13.467 15.173 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -11.928 15.950 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -10.138 13.883 4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -9.909 15.644 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -10.099 14.666 6.421 1.00 0.00 H new ATOM 800 N GLY A 377 -11.564 17.827 9.377 1.00 0.00 N ATOM 801 CA GLY A 377 -11.609 19.107 10.040 1.00 0.00 C ATOM 802 C GLY A 377 -10.392 19.327 10.904 1.00 0.00 C ATOM 803 O GLY A 377 -9.485 18.512 10.899 1.00 0.00 O ATOM 0 H GLY A 377 -11.137 17.080 9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -11.676 19.901 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -12.508 19.168 10.654 1.00 0.00 H new ATOM 807 N PRO A 378 -10.361 20.408 11.678 1.00 0.00 N ATOM 808 CA PRO A 378 -9.212 20.747 12.527 1.00 0.00 C ATOM 809 C PRO A 378 -8.970 19.701 13.612 1.00 0.00 C ATOM 810 O PRO A 378 -9.855 19.405 14.404 1.00 0.00 O ATOM 811 CB PRO A 378 -9.615 22.084 13.159 1.00 0.00 C ATOM 812 CG PRO A 378 -11.103 22.109 13.070 1.00 0.00 C ATOM 813 CD PRO A 378 -11.452 21.378 11.810 1.00 0.00 C ATOM 0 HA PRO A 378 -8.284 20.793 11.957 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -9.279 22.151 14.194 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -9.172 22.924 12.625 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -11.554 21.628 13.938 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -11.475 23.133 13.043 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -12.422 20.887 11.884 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -11.500 22.050 10.953 1.00 0.00 H new ATOM 821 N TRP A 379 -7.769 19.153 13.642 1.00 0.00 N ATOM 822 CA TRP A 379 -7.394 18.143 14.621 1.00 0.00 C ATOM 823 C TRP A 379 -7.219 18.759 16.014 1.00 0.00 C ATOM 824 O TRP A 379 -7.260 18.052 17.017 1.00 0.00 O ATOM 825 CB TRP A 379 -6.096 17.445 14.188 1.00 0.00 C ATOM 826 CG TRP A 379 -5.635 16.376 15.136 1.00 0.00 C ATOM 827 CD1 TRP A 379 -4.647 16.482 16.072 1.00 0.00 C ATOM 828 CD2 TRP A 379 -6.154 15.047 15.247 1.00 0.00 C ATOM 829 NE1 TRP A 379 -4.518 15.297 16.753 1.00 0.00 N ATOM 830 CE2 TRP A 379 -5.431 14.400 16.266 1.00 0.00 C ATOM 831 CE3 TRP A 379 -7.159 14.342 14.583 1.00 0.00 C ATOM 832 CZ2 TRP A 379 -5.682 13.083 16.634 1.00 0.00 C ATOM 833 CZ3 TRP A 379 -7.408 13.035 14.949 1.00 0.00 C ATOM 834 CH2 TRP A 379 -6.673 12.418 15.966 1.00 0.00 C ATOM 0 H TRP A 379 -7.024 19.394 12.989 1.00 0.00 H new ATOM 0 HA TRP A 379 -8.198 17.409 14.673 1.00 0.00 H new ATOM 0 HB2 TRP A 379 -6.244 17.004 13.202 1.00 0.00 H new ATOM 0 HB3 TRP A 379 -5.309 18.192 14.088 1.00 0.00 H new ATOM 0 HD1 TRP A 379 -4.054 17.367 16.250 1.00 0.00 H new ATOM 0 HE1 TRP A 379 -3.850 15.114 17.501 1.00 0.00 H new ATOM 0 HE3 TRP A 379 -7.732 14.811 13.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 379 -5.115 12.603 17.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 379 -8.183 12.480 14.442 1.00 0.00 H new ATOM 0 HH2 TRP A 379 -6.893 11.394 16.230 1.00 0.00 H new ATOM 845 N GLU A 380 -7.036 20.078 16.061 1.00 0.00 N ATOM 846 CA GLU A 380 -6.817 20.784 17.329 1.00 0.00 C ATOM 847 C GLU A 380 -7.860 20.409 18.420 1.00 0.00 C ATOM 848 O GLU A 380 -7.480 19.954 19.498 1.00 0.00 O ATOM 849 CB GLU A 380 -6.765 22.306 17.130 1.00 0.00 C ATOM 850 CG GLU A 380 -5.662 22.779 16.200 1.00 0.00 C ATOM 851 CD GLU A 380 -5.374 24.255 16.358 1.00 0.00 C ATOM 852 OE1 GLU A 380 -6.153 25.085 15.843 1.00 0.00 O ATOM 853 OE2 GLU A 380 -4.368 24.596 17.014 1.00 0.00 O1- ATOM 0 H GLU A 380 -7.035 20.681 15.238 1.00 0.00 H new ATOM 0 HA GLU A 380 -5.844 20.451 17.690 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -7.724 22.642 16.736 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -6.634 22.783 18.101 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -4.754 22.210 16.398 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -5.947 22.575 15.168 1.00 0.00 H new ATOM 860 N PRO A 381 -9.188 20.591 18.163 1.00 0.00 N ATOM 861 CA PRO A 381 -10.226 20.244 19.149 1.00 0.00 C ATOM 862 C PRO A 381 -10.480 18.730 19.244 1.00 0.00 C ATOM 863 O PRO A 381 -11.292 18.272 20.054 1.00 0.00 O ATOM 864 CB PRO A 381 -11.467 20.949 18.598 1.00 0.00 C ATOM 865 CG PRO A 381 -11.258 20.954 17.126 1.00 0.00 C ATOM 866 CD PRO A 381 -9.783 21.159 16.927 1.00 0.00 C ATOM 0 HA PRO A 381 -9.943 20.544 20.158 1.00 0.00 H new ATOM 0 HB2 PRO A 381 -12.380 20.419 18.869 1.00 0.00 H new ATOM 0 HB3 PRO A 381 -11.558 21.962 18.991 1.00 0.00 H new ATOM 0 HG2 PRO A 381 -11.587 20.015 16.680 1.00 0.00 H new ATOM 0 HG3 PRO A 381 -11.832 21.750 16.652 1.00 0.00 H new ATOM 0 HD2 PRO A 381 -9.423 20.646 16.035 1.00 0.00 H new ATOM 0 HD3 PRO A 381 -9.536 22.214 16.810 1.00 0.00 H new ATOM 874 N HIS A 382 -9.780 17.958 18.430 1.00 0.00 N ATOM 875 CA HIS A 382 -9.973 16.522 18.401 1.00 0.00 C ATOM 876 C HIS A 382 -9.130 15.820 19.430 1.00 0.00 C ATOM 877 O HIS A 382 -7.986 15.446 19.180 1.00 0.00 O ATOM 878 CB HIS A 382 -9.718 15.948 17.013 1.00 0.00 C ATOM 879 CG HIS A 382 -10.866 16.142 16.081 1.00 0.00 C ATOM 880 ND1 HIS A 382 -11.021 17.236 15.272 1.00 0.00 N ATOM 881 CD2 HIS A 382 -11.934 15.351 15.848 1.00 0.00 C ATOM 882 CE1 HIS A 382 -12.150 17.086 14.582 1.00 0.00 C ATOM 883 NE2 HIS A 382 -12.749 15.952 14.894 1.00 0.00 N ATOM 0 H HIS A 382 -9.073 18.304 17.781 1.00 0.00 H new ATOM 0 HA HIS A 382 -11.018 16.343 18.652 1.00 0.00 H new ATOM 0 HB2 HIS A 382 -8.830 16.418 16.589 1.00 0.00 H new ATOM 0 HB3 HIS A 382 -9.504 14.883 17.100 1.00 0.00 H new ATOM 0 HD1 HIS A 382 -10.382 18.029 15.209 1.00 0.00 H new ATOM 0 HD2 HIS A 382 -12.126 14.402 16.326 1.00 0.00 H new ATOM 0 HE1 HIS A 382 -12.526 17.798 13.862 1.00 0.00 H new ATOM 0 HE2 HIS A 382 -13.625 15.592 14.515 1.00 0.00 H new ATOM 891 N GLY A 383 -9.700 15.673 20.587 1.00 0.00 N ATOM 892 CA GLY A 383 -9.064 14.970 21.668 1.00 0.00 C ATOM 893 C GLY A 383 -10.039 14.769 22.785 1.00 0.00 C ATOM 894 O GLY A 383 -11.252 14.738 22.546 1.00 0.00 O ATOM 0 H GLY A 383 -10.625 16.038 20.813 1.00 0.00 H new ATOM 0 HA2 GLY A 383 -8.693 14.006 21.319 1.00 0.00 H new ATOM 0 HA3 GLY A 383 -8.201 15.534 22.023 1.00 0.00 H new ATOM 898 N SER A 384 -9.546 14.646 23.992 1.00 0.00 N ATOM 899 CA SER A 384 -10.409 14.519 25.142 1.00 0.00 C ATOM 900 C SER A 384 -10.914 15.903 25.528 1.00 0.00 C ATOM 901 O SER A 384 -10.449 16.507 26.496 1.00 0.00 O ATOM 902 CB SER A 384 -9.654 13.866 26.300 1.00 0.00 C ATOM 903 OG SER A 384 -9.086 12.625 25.893 1.00 0.00 O ATOM 0 H SER A 384 -8.549 14.631 24.205 1.00 0.00 H new ATOM 0 HA SER A 384 -11.260 13.881 24.902 1.00 0.00 H new ATOM 0 HB2 SER A 384 -8.868 14.534 26.651 1.00 0.00 H new ATOM 0 HB3 SER A 384 -10.332 13.704 27.138 1.00 0.00 H new ATOM 0 HG SER A 384 -8.605 12.223 26.646 1.00 0.00 H new ATOM 909 N ALA A 385 -11.832 16.419 24.730 1.00 0.00 N ATOM 910 CA ALA A 385 -12.355 17.751 24.918 1.00 0.00 C ATOM 911 C ALA A 385 -13.848 17.790 24.651 1.00 0.00 C ATOM 912 O ALA A 385 -14.494 16.747 24.508 1.00 0.00 O ATOM 913 CB ALA A 385 -11.630 18.722 23.992 1.00 0.00 C ATOM 0 H ALA A 385 -12.233 15.922 23.934 1.00 0.00 H new ATOM 0 HA ALA A 385 -12.189 18.046 25.954 1.00 0.00 H new ATOM 0 HB1 ALA A 385 -12.027 19.727 24.136 1.00 0.00 H new ATOM 0 HB2 ALA A 385 -10.564 18.716 24.221 1.00 0.00 H new ATOM 0 HB3 ALA A 385 -11.780 18.418 22.956 1.00 0.00 H new ATOM 919 N TRP A 386 -14.384 18.998 24.578 1.00 0.00 N ATOM 920 CA TRP A 386 -15.799 19.221 24.313 1.00 0.00 C ATOM 921 C TRP A 386 -16.178 18.715 22.923 1.00 0.00 C ATOM 922 O TRP A 386 -17.311 18.310 22.684 1.00 0.00 O ATOM 923 CB TRP A 386 -16.116 20.725 24.408 1.00 0.00 C ATOM 924 CG TRP A 386 -15.475 21.551 23.313 1.00 0.00 C ATOM 925 CD1 TRP A 386 -14.153 21.884 23.198 1.00 0.00 C ATOM 926 CD2 TRP A 386 -16.133 22.139 22.182 1.00 0.00 C ATOM 927 NE1 TRP A 386 -13.951 22.637 22.068 1.00 0.00 N ATOM 928 CE2 TRP A 386 -15.149 22.813 21.429 1.00 0.00 C ATOM 929 CE3 TRP A 386 -17.455 22.165 21.733 1.00 0.00 C ATOM 930 CZ2 TRP A 386 -15.450 23.499 20.255 1.00 0.00 C ATOM 931 CZ3 TRP A 386 -17.752 22.846 20.568 1.00 0.00 C ATOM 932 CH2 TRP A 386 -16.753 23.506 19.841 1.00 0.00 C ATOM 0 H TRP A 386 -13.848 19.857 24.701 1.00 0.00 H new ATOM 0 HA TRP A 386 -16.376 18.672 25.057 1.00 0.00 H new ATOM 0 HB2 TRP A 386 -17.197 20.863 24.370 1.00 0.00 H new ATOM 0 HB3 TRP A 386 -15.781 21.098 25.376 1.00 0.00 H new ATOM 0 HD1 TRP A 386 -13.380 21.596 23.895 1.00 0.00 H new ATOM 0 HE1 TRP A 386 -13.053 23.006 21.755 1.00 0.00 H new ATOM 0 HE3 TRP A 386 -18.233 21.661 22.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 386 -14.681 24.007 19.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 386 -18.771 22.870 20.212 1.00 0.00 H new ATOM 0 HH2 TRP A 386 -17.017 24.031 18.935 1.00 0.00 H new ATOM 943 N TYR A 387 -15.218 18.735 22.020 1.00 0.00 N ATOM 944 CA TYR A 387 -15.460 18.370 20.647 1.00 0.00 C ATOM 945 C TYR A 387 -15.514 16.859 20.480 1.00 0.00 C ATOM 946 O TYR A 387 -14.488 16.170 20.532 1.00 0.00 O ATOM 947 CB TYR A 387 -14.384 18.971 19.753 1.00 0.00 C ATOM 948 CG TYR A 387 -14.833 19.205 18.331 1.00 0.00 C ATOM 949 CD1 TYR A 387 -15.412 20.412 17.968 1.00 0.00 C ATOM 950 CD2 TYR A 387 -14.680 18.229 17.354 1.00 0.00 C ATOM 951 CE1 TYR A 387 -15.825 20.645 16.677 1.00 0.00 C ATOM 952 CE2 TYR A 387 -15.094 18.456 16.054 1.00 0.00 C ATOM 953 CZ TYR A 387 -15.668 19.669 15.721 1.00 0.00 C ATOM 954 OH TYR A 387 -16.077 19.910 14.428 1.00 0.00 O ATOM 0 H TYR A 387 -14.255 19.004 22.220 1.00 0.00 H new ATOM 0 HA TYR A 387 -16.430 18.769 20.351 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -14.057 19.918 20.181 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -13.519 18.308 19.746 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -15.541 21.183 18.713 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -14.232 17.281 17.613 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -16.272 21.593 16.415 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -14.970 17.690 15.303 1.00 0.00 H new ATOM 0 HH TYR A 387 -15.896 19.121 13.875 1.00 0.00 H new ATOM 964 N ASN A 388 -16.711 16.352 20.290 1.00 0.00 N ATOM 965 CA ASN A 388 -16.921 14.933 20.096 1.00 0.00 C ATOM 966 C ASN A 388 -16.934 14.604 18.616 1.00 0.00 C ATOM 967 O ASN A 388 -17.655 15.234 17.840 1.00 0.00 O ATOM 968 CB ASN A 388 -18.241 14.491 20.745 1.00 0.00 C ATOM 969 CG ASN A 388 -18.550 13.019 20.508 1.00 0.00 C ATOM 970 OD1 ASN A 388 -18.096 12.150 21.256 1.00 0.00 O ATOM 971 ND2 ASN A 388 -19.329 12.732 19.479 1.00 0.00 N ATOM 0 H ASN A 388 -17.565 16.909 20.265 1.00 0.00 H new ATOM 0 HA ASN A 388 -16.102 14.394 20.572 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -18.195 14.680 21.818 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -19.056 15.097 20.350 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -19.575 11.762 19.280 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -19.684 13.480 18.884 1.00 0.00 H new ATOM 978 N CYS A 389 -16.132 13.638 18.227 1.00 0.00 N ATOM 979 CA CYS A 389 -16.077 13.219 16.847 1.00 0.00 C ATOM 980 C CYS A 389 -16.503 11.768 16.741 1.00 0.00 C ATOM 981 O CYS A 389 -16.433 11.017 17.715 1.00 0.00 O ATOM 982 CB CYS A 389 -14.662 13.404 16.288 1.00 0.00 C ATOM 983 SG CYS A 389 -14.489 13.045 14.511 1.00 0.00 S ATOM 0 H CYS A 389 -15.507 13.127 18.851 1.00 0.00 H new ATOM 0 HA CYS A 389 -16.758 13.835 16.259 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -14.347 14.432 16.469 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -13.980 12.759 16.843 1.00 0.00 H new ATOM 988 N ASN A 390 -16.913 11.376 15.565 1.00 0.00 N ATOM 989 CA ASN A 390 -17.367 10.017 15.320 1.00 0.00 C ATOM 990 C ASN A 390 -16.214 9.156 14.825 1.00 0.00 C ATOM 991 O ASN A 390 -16.410 8.220 14.058 1.00 0.00 O ATOM 992 CB ASN A 390 -18.509 10.018 14.298 1.00 0.00 C ATOM 993 CG ASN A 390 -19.761 10.694 14.824 1.00 0.00 C ATOM 994 OD1 ASN A 390 -19.936 11.908 14.682 1.00 0.00 O ATOM 995 ND2 ASN A 390 -20.642 9.920 15.432 1.00 0.00 N ATOM 0 H ASN A 390 -16.945 11.982 14.745 1.00 0.00 H new ATOM 0 HA ASN A 390 -17.736 9.597 16.256 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -18.180 10.526 13.391 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -18.744 8.991 14.021 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -21.503 10.321 15.804 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -20.461 8.921 15.530 1.00 0.00 H new ATOM 1002 N ARG A 391 -15.008 9.473 15.303 1.00 0.00 N ATOM 1003 CA ARG A 391 -13.779 8.773 14.909 1.00 0.00 C ATOM 1004 C ARG A 391 -13.897 7.241 15.019 1.00 0.00 C ATOM 1005 O ARG A 391 -13.324 6.518 14.208 1.00 0.00 O ATOM 1006 CB ARG A 391 -12.559 9.294 15.698 1.00 0.00 C ATOM 1007 CG ARG A 391 -12.570 8.952 17.171 1.00 0.00 C ATOM 1008 CD ARG A 391 -13.356 9.949 18.007 1.00 0.00 C ATOM 1009 NE ARG A 391 -12.639 11.210 18.178 1.00 0.00 N ATOM 1010 CZ ARG A 391 -12.821 12.048 19.206 1.00 0.00 C ATOM 1011 NH1 ARG A 391 -13.749 11.794 20.125 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 391 -12.077 13.145 19.306 1.00 0.00 N ATOM 0 H ARG A 391 -14.854 10.224 15.976 1.00 0.00 H new ATOM 0 HA ARG A 391 -13.626 8.997 13.853 1.00 0.00 H new ATOM 0 HB2 ARG A 391 -11.652 8.887 15.251 1.00 0.00 H new ATOM 0 HB3 ARG A 391 -12.509 10.377 15.590 1.00 0.00 H new ATOM 0 HG2 ARG A 391 -12.997 7.958 17.304 1.00 0.00 H new ATOM 0 HG3 ARG A 391 -11.544 8.909 17.536 1.00 0.00 H new ATOM 0 HD2 ARG A 391 -14.318 10.141 17.532 1.00 0.00 H new ATOM 0 HD3 ARG A 391 -13.565 9.516 18.985 1.00 0.00 H new ATOM 0 HE ARG A 391 -11.955 11.469 17.467 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -14.327 10.957 20.049 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -13.883 12.436 20.906 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -11.369 13.347 18.600 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -12.214 13.785 20.089 1.00 0.00 H new ATOM 1026 N TYR A 392 -14.629 6.755 16.012 1.00 0.00 N ATOM 1027 CA TYR A 392 -14.838 5.315 16.149 1.00 0.00 C ATOM 1028 C TYR A 392 -16.310 4.980 16.319 1.00 0.00 C ATOM 1029 O TYR A 392 -16.712 3.826 16.228 1.00 0.00 O ATOM 1030 CB TYR A 392 -14.012 4.738 17.299 1.00 0.00 C ATOM 1031 CG TYR A 392 -14.150 5.473 18.615 1.00 0.00 C ATOM 1032 CD1 TYR A 392 -15.213 5.226 19.468 1.00 0.00 C ATOM 1033 CD2 TYR A 392 -13.204 6.404 19.004 1.00 0.00 C ATOM 1034 CE1 TYR A 392 -15.327 5.889 20.671 1.00 0.00 C ATOM 1035 CE2 TYR A 392 -13.311 7.075 20.206 1.00 0.00 C ATOM 1036 CZ TYR A 392 -14.374 6.812 21.036 1.00 0.00 C ATOM 1037 OH TYR A 392 -14.485 7.471 22.240 1.00 0.00 O ATOM 0 H TYR A 392 -15.083 7.324 16.726 1.00 0.00 H new ATOM 0 HA TYR A 392 -14.495 4.850 15.225 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -14.301 3.698 17.449 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -12.962 4.738 17.008 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -15.964 4.503 19.186 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -12.366 6.610 18.355 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -16.162 5.685 21.325 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -12.565 7.801 20.492 1.00 0.00 H new ATOM 0 HH TYR A 392 -13.731 8.088 22.346 1.00 0.00 H new ATOM 1047 N ASN A 393 -17.100 5.993 16.572 1.00 0.00 N ATOM 1048 CA ASN A 393 -18.537 5.820 16.729 1.00 0.00 C ATOM 1049 C ASN A 393 -19.235 5.900 15.380 1.00 0.00 C ATOM 1050 O ASN A 393 -19.361 6.981 14.795 1.00 0.00 O ATOM 1051 CB ASN A 393 -19.111 6.881 17.670 1.00 0.00 C ATOM 1052 CG ASN A 393 -20.615 6.737 17.885 1.00 0.00 C ATOM 1053 OD1 ASN A 393 -21.098 5.511 17.981 1.00 0.00 O flip ATOM 1054 ND2 ASN A 393 -21.329 7.732 18.000 1.00 0.00 N flip ATOM 0 H ASN A 393 -16.777 6.955 16.676 1.00 0.00 H new ATOM 0 HA ASN A 393 -18.711 4.835 17.162 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -18.604 6.817 18.633 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -18.901 7.871 17.264 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -20.922 8.664 17.920 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -22.328 7.625 18.175 1.00 0.00 H new ATOM 1061 N GLU A 394 -19.670 4.761 14.885 1.00 0.00 N ATOM 1062 CA GLU A 394 -20.383 4.705 13.626 1.00 0.00 C ATOM 1063 C GLU A 394 -21.839 5.063 13.842 1.00 0.00 C ATOM 1064 O GLU A 394 -22.387 4.829 14.919 1.00 0.00 O ATOM 1065 CB GLU A 394 -20.272 3.313 13.020 1.00 0.00 C ATOM 1066 CG GLU A 394 -18.845 2.883 12.753 1.00 0.00 C ATOM 1067 CD GLU A 394 -18.740 1.419 12.421 1.00 0.00 C ATOM 1068 OE1 GLU A 394 -18.706 0.598 13.360 1.00 0.00 O1- ATOM 1069 OE2 GLU A 394 -18.691 1.074 11.224 1.00 0.00 O ATOM 0 H GLU A 394 -19.542 3.856 15.338 1.00 0.00 H new ATOM 0 HA GLU A 394 -19.939 5.423 12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -20.740 2.594 13.693 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -20.832 3.286 12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -18.440 3.470 11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -18.233 3.099 13.629 1.00 0.00 H new ATOM 1076 N ASP A 395 -22.462 5.630 12.833 1.00 0.00 N ATOM 1077 CA ASP A 395 -23.866 6.013 12.925 1.00 0.00 C ATOM 1078 C ASP A 395 -24.762 4.824 12.619 1.00 0.00 C ATOM 1079 O ASP A 395 -25.958 4.837 12.914 1.00 0.00 O ATOM 1080 CB ASP A 395 -24.173 7.172 11.974 1.00 0.00 C ATOM 1081 CG ASP A 395 -25.629 7.589 12.010 1.00 0.00 C ATOM 1082 OD1 ASP A 395 -26.055 8.192 13.018 1.00 0.00 O ATOM 1083 OD2 ASP A 395 -26.355 7.327 11.022 1.00 0.00 O1- ATOM 0 H ASP A 395 -22.024 5.839 11.936 1.00 0.00 H new ATOM 0 HA ASP A 395 -24.065 6.344 13.944 1.00 0.00 H new ATOM 0 HB2 ASP A 395 -23.548 8.026 12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 395 -23.907 6.882 10.957 1.00 0.00 H new ATOM 1088 N ASP A 396 -24.170 3.795 12.023 1.00 0.00 N ATOM 1089 CA ASP A 396 -24.897 2.576 11.677 1.00 0.00 C ATOM 1090 C ASP A 396 -25.582 1.986 12.896 1.00 0.00 C ATOM 1091 O ASP A 396 -24.875 1.597 13.849 1.00 0.00 O ATOM 1092 CB ASP A 396 -23.972 1.534 11.057 1.00 0.00 C ATOM 1093 CG ASP A 396 -24.712 0.256 10.713 1.00 0.00 C ATOM 1094 OD1 ASP A 396 -25.419 0.237 9.683 1.00 0.00 O1- ATOM 1095 OD2 ASP A 396 -24.603 -0.730 11.471 1.00 0.00 O ATOM 1096 OXT ASP A 396 -26.825 1.899 12.891 1.00 0.00 O ATOM 0 H ASP A 396 -23.183 3.780 11.768 1.00 0.00 H new ATOM 0 HA ASP A 396 -25.654 2.851 10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 396 -23.516 1.944 10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 396 -23.162 1.309 11.750 1.00 0.00 H new TER 1101 ASP A 396 HETATM 1102 ZN ZN A 401 -3.259 20.267 2.855 1.00 0.00 ZN HETATM 1103 ZN ZN A 402 -13.218 14.462 13.421 1.00 0.00 ZN