USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 300 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 26 CYS SG : rot 161:sc= -2.68! USER MOD Set 1.2: A 29 CYS SG : rot -52:sc= -9.53! USER MOD Set 1.3: A 34 HIS : no HE2:sc= -6.81! C(o=-21!,f=-21!) USER MOD Set 1.4: A 39 CYS SG : rot -168:sc= -2.44! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.0892 K(o=-0.089,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -102:sc= -0.262 (180deg=-2.9!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 45:sc= 0.115 USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 19.705 -1.735 3.108 1.00 0.00 N ATOM 93 CA LYS A 8 20.405 -1.741 4.381 1.00 0.00 C ATOM 94 C LYS A 8 21.744 -2.463 4.217 1.00 0.00 C ATOM 95 O LYS A 8 21.882 -3.621 4.610 1.00 0.00 O ATOM 96 CB LYS A 8 19.518 -2.333 5.478 1.00 0.00 C ATOM 97 CG LYS A 8 18.585 -1.270 6.061 1.00 0.00 C ATOM 98 CD LYS A 8 17.135 -1.757 6.067 1.00 0.00 C ATOM 99 CE LYS A 8 16.169 -0.605 5.781 1.00 0.00 C ATOM 100 NZ LYS A 8 15.090 -0.570 6.793 1.00 0.00 N ATOM 0 HA LYS A 8 20.627 -0.722 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.929 -3.155 5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.141 -2.749 6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.895 -1.027 7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.662 -0.353 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.007 -2.538 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.901 -2.201 7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.710 0.341 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.739 -0.722 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.444 0.217 6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.563 -1.466 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.504 -0.437 7.738 1.00 0.00 H new ATOM 114 N GLN A 9 22.698 -1.749 3.637 1.00 0.00 N ATOM 115 CA GLN A 9 24.021 -2.307 3.417 1.00 0.00 C ATOM 116 C GLN A 9 25.066 -1.529 4.219 1.00 0.00 C ATOM 117 O GLN A 9 25.121 -0.302 4.148 1.00 0.00 O ATOM 118 CB GLN A 9 24.371 -2.318 1.927 1.00 0.00 C ATOM 119 CG GLN A 9 24.836 -3.706 1.483 1.00 0.00 C ATOM 120 CD GLN A 9 23.964 -4.238 0.344 1.00 0.00 C ATOM 121 OE1 GLN A 9 23.181 -5.160 0.505 1.00 0.00 O ATOM 122 NE2 GLN A 9 24.143 -3.608 -0.814 1.00 0.00 N ATOM 0 H GLN A 9 22.581 -0.789 3.313 1.00 0.00 H new ATOM 0 HA GLN A 9 24.020 -3.340 3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 9 23.501 -2.018 1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 9 25.155 -1.587 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 9 25.875 -3.659 1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 9 24.797 -4.394 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 9 24.815 -2.844 -0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 9 23.608 -3.889 -1.636 1.00 0.00 H new ATOM 131 N ASP A 10 25.869 -2.274 4.965 1.00 0.00 N ATOM 132 CA ASP A 10 26.909 -1.669 5.780 1.00 0.00 C ATOM 133 C ASP A 10 28.088 -1.279 4.887 1.00 0.00 C ATOM 134 O ASP A 10 28.343 -1.924 3.871 1.00 0.00 O ATOM 135 CB ASP A 10 27.420 -2.650 6.837 1.00 0.00 C ATOM 136 CG ASP A 10 27.402 -2.121 8.272 1.00 0.00 C ATOM 137 OD1 ASP A 10 27.820 -0.957 8.454 1.00 0.00 O ATOM 138 OD2 ASP A 10 26.970 -2.893 9.156 1.00 0.00 O ATOM 0 H ASP A 10 25.820 -3.291 5.022 1.00 0.00 H new ATOM 0 HA ASP A 10 26.485 -0.795 6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 10 26.816 -3.556 6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.441 -2.935 6.583 1.00 0.00 H new ATOM 143 N ARG A 11 28.777 -0.224 5.298 1.00 0.00 N ATOM 144 CA ARG A 11 29.923 0.260 4.549 1.00 0.00 C ATOM 145 C ARG A 11 30.535 1.478 5.243 1.00 0.00 C ATOM 146 O ARG A 11 30.079 2.604 5.047 1.00 0.00 O ATOM 147 CB ARG A 11 29.526 0.641 3.121 1.00 0.00 C ATOM 148 CG ARG A 11 30.112 -0.345 2.108 1.00 0.00 C ATOM 149 CD ARG A 11 31.090 0.356 1.163 1.00 0.00 C ATOM 150 NE ARG A 11 32.472 -0.095 1.440 1.00 0.00 N ATOM 151 CZ ARG A 11 32.964 -1.284 1.065 1.00 0.00 C ATOM 152 NH1 ARG A 11 32.190 -2.149 0.396 1.00 0.00 N ATOM 153 NH2 ARG A 11 34.230 -1.608 1.360 1.00 0.00 N ATOM 0 H ARG A 11 28.563 0.309 6.141 1.00 0.00 H new ATOM 0 HA ARG A 11 30.657 -0.545 4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 11 28.440 0.656 3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 11 29.877 1.649 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 11 30.624 -1.151 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 11 29.307 -0.801 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 11 30.828 0.138 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 11 31.019 1.436 1.289 1.00 0.00 H new ATOM 0 HE ARG A 11 33.089 0.539 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 11 31.226 -1.903 0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 11 32.565 -3.054 0.111 1.00 0.00 H new ATOM 0 HH21 ARG A 11 34.819 -0.950 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 11 34.605 -2.513 1.075 1.00 0.00 H new ATOM 167 N GLN A 12 31.560 1.213 6.040 1.00 0.00 N ATOM 168 CA GLN A 12 32.239 2.273 6.764 1.00 0.00 C ATOM 169 C GLN A 12 33.756 2.097 6.664 1.00 0.00 C ATOM 170 O GLN A 12 34.235 1.078 6.170 1.00 0.00 O ATOM 171 CB GLN A 12 31.787 2.316 8.225 1.00 0.00 C ATOM 172 CG GLN A 12 32.202 1.043 8.965 1.00 0.00 C ATOM 173 CD GLN A 12 33.421 1.298 9.854 1.00 0.00 C ATOM 174 OE1 GLN A 12 34.561 1.159 9.444 1.00 0.00 O ATOM 175 NE2 GLN A 12 33.117 1.678 11.092 1.00 0.00 N ATOM 0 H GLN A 12 31.937 0.279 6.200 1.00 0.00 H new ATOM 0 HA GLN A 12 31.973 3.226 6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 12 32.221 3.186 8.718 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.704 2.431 8.271 1.00 0.00 H new ATOM 0 HG2 GLN A 12 31.372 0.685 9.574 1.00 0.00 H new ATOM 0 HG3 GLN A 12 32.431 0.258 8.245 1.00 0.00 H new ATOM 0 HE21 GLN A 12 32.141 1.775 11.370 1.00 0.00 H new ATOM 0 HE22 GLN A 12 33.860 1.872 11.763 1.00 0.00 H new ATOM 184 N GLY A 13 34.469 3.107 7.141 1.00 0.00 N ATOM 185 CA GLY A 13 35.922 3.076 7.112 1.00 0.00 C ATOM 186 C GLY A 13 36.479 4.264 6.325 1.00 0.00 C ATOM 187 O GLY A 13 36.683 4.171 5.116 1.00 0.00 O ATOM 0 H GLY A 13 34.068 3.951 7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 13 36.310 3.095 8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 13 36.261 2.144 6.659 1.00 0.00 H new ATOM 191 N GLY A 14 36.710 5.353 7.044 1.00 0.00 N ATOM 192 CA GLY A 14 37.240 6.557 6.428 1.00 0.00 C ATOM 193 C GLY A 14 38.258 7.239 7.344 1.00 0.00 C ATOM 194 O GLY A 14 38.028 8.353 7.814 1.00 0.00 O ATOM 0 H GLY A 14 36.540 5.426 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 14 37.711 6.306 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 14 36.425 7.246 6.208 1.00 0.00 H new ATOM 198 N GLU A 15 39.362 6.543 7.571 1.00 0.00 N ATOM 199 CA GLU A 15 40.416 7.067 8.423 1.00 0.00 C ATOM 200 C GLU A 15 41.613 7.505 7.577 1.00 0.00 C ATOM 201 O GLU A 15 42.339 6.669 7.041 1.00 0.00 O ATOM 202 CB GLU A 15 40.835 6.037 9.474 1.00 0.00 C ATOM 203 CG GLU A 15 40.880 6.665 10.869 1.00 0.00 C ATOM 204 CD GLU A 15 40.767 5.594 11.955 1.00 0.00 C ATOM 205 OE1 GLU A 15 41.800 4.939 12.217 1.00 0.00 O ATOM 206 OE2 GLU A 15 39.651 5.454 12.501 1.00 0.00 O ATOM 0 H GLU A 15 39.550 5.620 7.179 1.00 0.00 H new ATOM 0 HA GLU A 15 40.030 7.939 8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 15 40.135 5.202 9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 15 41.815 5.632 9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 15 41.811 7.217 10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 15 40.067 7.383 10.975 1.00 0.00 H new ATOM 332 N ASP A 22 48.329 20.636 10.897 1.00 0.00 N ATOM 333 CA ASP A 22 47.963 21.370 12.097 1.00 0.00 C ATOM 334 C ASP A 22 47.236 22.656 11.702 1.00 0.00 C ATOM 335 O ASP A 22 47.434 23.173 10.603 1.00 0.00 O ATOM 336 CB ASP A 22 49.204 21.757 12.905 1.00 0.00 C ATOM 337 CG ASP A 22 49.124 21.447 14.401 1.00 0.00 C ATOM 338 OD1 ASP A 22 49.066 20.242 14.728 1.00 0.00 O ATOM 339 OD2 ASP A 22 49.123 22.421 15.183 1.00 0.00 O ATOM 0 HA ASP A 22 47.323 20.728 12.703 1.00 0.00 H new ATOM 0 HB2 ASP A 22 50.067 21.239 12.487 1.00 0.00 H new ATOM 0 HB3 ASP A 22 49.382 22.825 12.780 1.00 0.00 H new ATOM 344 N ARG A 23 46.409 23.137 12.619 1.00 0.00 N ATOM 345 CA ARG A 23 45.651 24.353 12.379 1.00 0.00 C ATOM 346 C ARG A 23 46.591 25.558 12.305 1.00 0.00 C ATOM 347 O ARG A 23 46.153 26.676 12.036 1.00 0.00 O ATOM 348 CB ARG A 23 44.621 24.587 13.485 1.00 0.00 C ATOM 349 CG ARG A 23 43.337 25.198 12.919 1.00 0.00 C ATOM 350 CD ARG A 23 42.773 24.337 11.787 1.00 0.00 C ATOM 351 NE ARG A 23 41.346 24.040 12.040 1.00 0.00 N ATOM 352 CZ ARG A 23 40.459 23.743 11.080 1.00 0.00 C ATOM 353 NH1 ARG A 23 40.847 23.702 9.799 1.00 0.00 N ATOM 354 NH2 ARG A 23 39.183 23.488 11.403 1.00 0.00 N ATOM 0 H ARG A 23 46.247 22.706 13.529 1.00 0.00 H new ATOM 0 HA ARG A 23 45.128 24.236 11.430 1.00 0.00 H new ATOM 0 HB2 ARG A 23 44.392 23.643 13.979 1.00 0.00 H new ATOM 0 HB3 ARG A 23 45.040 25.249 14.243 1.00 0.00 H new ATOM 0 HG2 ARG A 23 42.595 25.294 13.712 1.00 0.00 H new ATOM 0 HG3 ARG A 23 43.540 26.203 12.550 1.00 0.00 H new ATOM 0 HD2 ARG A 23 42.882 24.857 10.835 1.00 0.00 H new ATOM 0 HD3 ARG A 23 43.338 23.408 11.709 1.00 0.00 H new ATOM 0 HE ARG A 23 41.017 24.063 13.005 1.00 0.00 H new ATOM 0 HH11 ARG A 23 41.818 23.897 9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 23 40.172 23.476 9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 23 38.888 23.520 12.379 1.00 0.00 H new ATOM 0 HH22 ARG A 23 38.508 23.262 10.673 1.00 0.00 H new ATOM 368 N ASP A 24 47.866 25.290 12.548 1.00 0.00 N ATOM 369 CA ASP A 24 48.871 26.338 12.512 1.00 0.00 C ATOM 370 C ASP A 24 50.088 25.845 11.726 1.00 0.00 C ATOM 371 O ASP A 24 51.213 26.272 11.984 1.00 0.00 O ATOM 372 CB ASP A 24 49.336 26.704 13.923 1.00 0.00 C ATOM 373 CG ASP A 24 49.775 28.159 14.102 1.00 0.00 C ATOM 374 OD1 ASP A 24 48.943 29.043 13.803 1.00 0.00 O ATOM 375 OD2 ASP A 24 50.931 28.354 14.534 1.00 0.00 O ATOM 0 H ASP A 24 48.226 24.362 12.771 1.00 0.00 H new ATOM 0 HA ASP A 24 48.427 27.215 12.040 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.526 26.496 14.622 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.167 26.053 14.196 1.00 0.00 H new ATOM 380 N GLN A 25 49.822 24.953 10.783 1.00 0.00 N ATOM 381 CA GLN A 25 50.881 24.398 9.958 1.00 0.00 C ATOM 382 C GLN A 25 50.618 24.701 8.481 1.00 0.00 C ATOM 383 O GLN A 25 49.527 25.138 8.119 1.00 0.00 O ATOM 384 CB GLN A 25 51.026 22.893 10.192 1.00 0.00 C ATOM 385 CG GLN A 25 52.480 22.521 10.488 1.00 0.00 C ATOM 386 CD GLN A 25 52.767 21.071 10.093 1.00 0.00 C ATOM 387 OE1 GLN A 25 52.898 20.732 8.928 1.00 0.00 O ATOM 388 NE2 GLN A 25 52.857 20.237 11.124 1.00 0.00 N ATOM 0 H GLN A 25 48.888 24.601 10.572 1.00 0.00 H new ATOM 0 HA GLN A 25 51.822 24.869 10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 25 50.392 22.588 11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 25 50.680 22.350 9.313 1.00 0.00 H new ATOM 0 HG2 GLN A 25 53.148 23.189 9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 25 52.686 22.660 11.549 1.00 0.00 H new ATOM 0 HE21 GLN A 25 52.737 20.587 12.075 1.00 0.00 H new ATOM 0 HE22 GLN A 25 53.046 19.247 10.965 1.00 0.00 H new ATOM 397 N CYS A 26 51.636 24.455 7.670 1.00 0.00 N ATOM 398 CA CYS A 26 51.529 24.696 6.241 1.00 0.00 C ATOM 399 C CYS A 26 51.350 23.349 5.538 1.00 0.00 C ATOM 400 O CYS A 26 52.080 22.398 5.817 1.00 0.00 O ATOM 401 CB CYS A 26 52.739 25.464 5.704 1.00 0.00 C ATOM 402 SG CYS A 26 52.545 25.761 3.909 1.00 0.00 S ATOM 0 H CYS A 26 52.539 24.091 7.975 1.00 0.00 H new ATOM 0 HA CYS A 26 50.663 25.327 6.041 1.00 0.00 H new ATOM 0 HB2 CYS A 26 52.840 26.414 6.229 1.00 0.00 H new ATOM 0 HB3 CYS A 26 53.652 24.898 5.891 1.00 0.00 H new ATOM 0 HG CYS A 26 53.338 26.723 3.540 1.00 0.00 H new ATOM 407 N ALA A 27 50.376 23.310 4.641 1.00 0.00 N ATOM 408 CA ALA A 27 50.093 22.094 3.897 1.00 0.00 C ATOM 409 C ALA A 27 50.831 22.138 2.558 1.00 0.00 C ATOM 410 O ALA A 27 50.354 21.593 1.563 1.00 0.00 O ATOM 411 CB ALA A 27 48.580 21.943 3.724 1.00 0.00 C ATOM 0 H ALA A 27 49.773 24.100 4.412 1.00 0.00 H new ATOM 0 HA ALA A 27 50.448 21.219 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 27 48.367 21.031 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 27 48.105 21.888 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 27 48.189 22.802 3.179 1.00 0.00 H new ATOM 417 N TYR A 28 51.984 22.791 2.575 1.00 0.00 N ATOM 418 CA TYR A 28 52.793 22.912 1.374 1.00 0.00 C ATOM 419 C TYR A 28 54.257 22.574 1.663 1.00 0.00 C ATOM 420 O TYR A 28 54.821 21.669 1.051 1.00 0.00 O ATOM 421 CB TYR A 28 52.696 24.378 0.947 1.00 0.00 C ATOM 422 CG TYR A 28 53.178 24.643 -0.481 1.00 0.00 C ATOM 423 CD1 TYR A 28 54.530 24.658 -0.761 1.00 0.00 C ATOM 424 CD2 TYR A 28 52.262 24.868 -1.488 1.00 0.00 C ATOM 425 CE1 TYR A 28 54.984 24.907 -2.105 1.00 0.00 C ATOM 426 CE2 TYR A 28 52.716 25.117 -2.832 1.00 0.00 C ATOM 427 CZ TYR A 28 54.055 25.125 -3.074 1.00 0.00 C ATOM 428 OH TYR A 28 54.483 25.360 -4.343 1.00 0.00 O ATOM 0 H TYR A 28 52.377 23.242 3.401 1.00 0.00 H new ATOM 0 HA TYR A 28 52.440 22.227 0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 28 51.660 24.704 1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 28 53.282 24.986 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 28 55.247 24.483 0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 28 51.205 24.857 -1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 28 56.038 24.920 -2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 28 52.010 25.293 -3.630 1.00 0.00 H new ATOM 0 HH TYR A 28 53.710 25.497 -4.929 1.00 0.00 H new ATOM 438 N CYS A 29 54.831 23.319 2.597 1.00 0.00 N ATOM 439 CA CYS A 29 56.218 23.109 2.974 1.00 0.00 C ATOM 440 C CYS A 29 56.245 22.340 4.296 1.00 0.00 C ATOM 441 O CYS A 29 57.296 21.860 4.718 1.00 0.00 O ATOM 442 CB CYS A 29 56.985 24.430 3.067 1.00 0.00 C ATOM 443 SG CYS A 29 56.212 25.516 4.320 1.00 0.00 S ATOM 0 H CYS A 29 54.360 24.069 3.104 1.00 0.00 H new ATOM 0 HA CYS A 29 56.722 22.525 2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 29 58.025 24.238 3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 29 56.989 24.926 2.097 1.00 0.00 H new ATOM 0 HG CYS A 29 54.941 25.629 4.071 1.00 0.00 H new ATOM 448 N LYS A 30 55.076 22.247 4.914 1.00 0.00 N ATOM 449 CA LYS A 30 54.953 21.544 6.179 1.00 0.00 C ATOM 450 C LYS A 30 55.574 22.391 7.291 1.00 0.00 C ATOM 451 O LYS A 30 55.977 21.864 8.327 1.00 0.00 O ATOM 452 CB LYS A 30 55.548 20.138 6.072 1.00 0.00 C ATOM 453 CG LYS A 30 54.450 19.091 5.874 1.00 0.00 C ATOM 454 CD LYS A 30 54.104 18.932 4.392 1.00 0.00 C ATOM 455 CE LYS A 30 52.592 19.001 4.171 1.00 0.00 C ATOM 456 NZ LYS A 30 51.951 17.729 4.573 1.00 0.00 N ATOM 0 H LYS A 30 54.206 22.647 4.562 1.00 0.00 H new ATOM 0 HA LYS A 30 53.903 21.402 6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 30 56.248 20.098 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 30 56.115 19.910 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 30 54.778 18.134 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 30 53.559 19.384 6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 30 54.596 19.715 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 30 54.485 17.979 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 30 52.171 19.825 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 30 52.381 19.206 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 50.925 17.793 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 52.340 16.950 4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 52.137 17.550 5.580 1.00 0.00 H new ATOM 470 N GLU A 31 55.633 23.691 7.039 1.00 0.00 N ATOM 471 CA GLU A 31 56.198 24.616 8.006 1.00 0.00 C ATOM 472 C GLU A 31 55.114 25.109 8.966 1.00 0.00 C ATOM 473 O GLU A 31 53.981 25.358 8.554 1.00 0.00 O ATOM 474 CB GLU A 31 56.884 25.790 7.304 1.00 0.00 C ATOM 475 CG GLU A 31 58.139 25.327 6.562 1.00 0.00 C ATOM 476 CD GLU A 31 58.699 26.446 5.681 1.00 0.00 C ATOM 477 OE1 GLU A 31 58.824 27.574 6.206 1.00 0.00 O ATOM 478 OE2 GLU A 31 58.990 26.149 4.502 1.00 0.00 O ATOM 0 H GLU A 31 55.299 24.125 6.179 1.00 0.00 H new ATOM 0 HA GLU A 31 56.955 24.088 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 31 56.192 26.253 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.151 26.551 8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.895 25.012 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.903 24.459 5.947 1.00 0.00 H new ATOM 485 N LYS A 32 55.498 25.235 10.228 1.00 0.00 N ATOM 486 CA LYS A 32 54.573 25.694 11.249 1.00 0.00 C ATOM 487 C LYS A 32 54.737 27.203 11.440 1.00 0.00 C ATOM 488 O LYS A 32 55.845 27.688 11.662 1.00 0.00 O ATOM 489 CB LYS A 32 54.755 24.889 12.538 1.00 0.00 C ATOM 490 CG LYS A 32 56.097 25.207 13.198 1.00 0.00 C ATOM 491 CD LYS A 32 56.749 23.940 13.755 1.00 0.00 C ATOM 492 CE LYS A 32 58.264 23.967 13.549 1.00 0.00 C ATOM 493 NZ LYS A 32 58.651 23.077 12.431 1.00 0.00 N ATOM 0 H LYS A 32 56.438 25.027 10.566 1.00 0.00 H new ATOM 0 HA LYS A 32 53.544 25.522 10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 32 53.943 25.115 13.229 1.00 0.00 H new ATOM 0 HB3 LYS A 32 54.698 23.823 12.316 1.00 0.00 H new ATOM 0 HG2 LYS A 32 56.762 25.673 12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 32 55.949 25.928 14.002 1.00 0.00 H new ATOM 0 HD2 LYS A 32 56.525 23.848 14.818 1.00 0.00 H new ATOM 0 HD3 LYS A 32 56.327 23.063 13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 32 58.590 24.986 13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 32 58.767 23.652 14.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 59.683 23.107 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 58.357 22.103 12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 58.186 23.395 11.557 1.00 0.00 H new ATOM 507 N GLY A 33 53.617 27.905 11.344 1.00 0.00 N ATOM 508 CA GLY A 33 53.622 29.349 11.503 1.00 0.00 C ATOM 509 C GLY A 33 52.665 30.013 10.511 1.00 0.00 C ATOM 510 O GLY A 33 51.867 30.868 10.892 1.00 0.00 O ATOM 0 H GLY A 33 52.700 27.500 11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 33 53.332 29.607 12.522 1.00 0.00 H new ATOM 0 HA3 GLY A 33 54.631 29.732 11.352 1.00 0.00 H new ATOM 514 N HIS A 34 52.777 29.595 9.259 1.00 0.00 N ATOM 515 CA HIS A 34 51.931 30.138 8.210 1.00 0.00 C ATOM 516 C HIS A 34 51.030 29.034 7.654 1.00 0.00 C ATOM 517 O HIS A 34 51.137 27.878 8.058 1.00 0.00 O ATOM 518 CB HIS A 34 52.775 30.816 7.129 1.00 0.00 C ATOM 519 CG HIS A 34 53.651 29.866 6.348 1.00 0.00 C ATOM 520 ND1 HIS A 34 54.921 29.505 6.763 1.00 0.00 N ATOM 521 CD2 HIS A 34 53.427 29.206 5.176 1.00 0.00 C ATOM 522 CE1 HIS A 34 55.429 28.666 5.872 1.00 0.00 C ATOM 523 NE2 HIS A 34 54.502 28.482 4.889 1.00 0.00 N ATOM 0 H HIS A 34 53.441 28.886 8.947 1.00 0.00 H new ATOM 0 HA HIS A 34 51.284 30.912 8.623 1.00 0.00 H new ATOM 0 HB2 HIS A 34 52.112 31.335 6.437 1.00 0.00 H new ATOM 0 HB3 HIS A 34 53.404 31.574 7.596 1.00 0.00 H new ATOM 0 HD1 HIS A 34 55.387 29.830 7.610 1.00 0.00 H new ATOM 0 HD2 HIS A 34 52.527 29.263 4.582 1.00 0.00 H new ATOM 0 HE1 HIS A 34 56.406 28.208 5.917 1.00 0.00 H new ATOM 531 N TRP A 35 50.161 29.431 6.736 1.00 0.00 N ATOM 532 CA TRP A 35 49.241 28.489 6.120 1.00 0.00 C ATOM 533 C TRP A 35 49.686 28.273 4.672 1.00 0.00 C ATOM 534 O TRP A 35 50.490 29.039 4.144 1.00 0.00 O ATOM 535 CB TRP A 35 47.796 28.979 6.235 1.00 0.00 C ATOM 536 CG TRP A 35 47.093 28.547 7.523 1.00 0.00 C ATOM 537 CD1 TRP A 35 47.513 28.704 8.785 1.00 0.00 C ATOM 538 CD2 TRP A 35 45.820 27.874 7.623 1.00 0.00 C ATOM 539 NE1 TRP A 35 46.608 28.185 9.688 1.00 0.00 N ATOM 540 CE2 TRP A 35 45.546 27.664 8.959 1.00 0.00 C ATOM 541 CE3 TRP A 35 44.929 27.458 6.618 1.00 0.00 C ATOM 542 CZ2 TRP A 35 44.382 27.032 9.413 1.00 0.00 C ATOM 543 CZ3 TRP A 35 43.771 26.827 7.088 1.00 0.00 C ATOM 544 CH2 TRP A 35 43.480 26.608 8.429 1.00 0.00 C ATOM 0 H TRP A 35 50.074 30.391 6.404 1.00 0.00 H new ATOM 0 HA TRP A 35 49.265 27.531 6.638 1.00 0.00 H new ATOM 0 HB2 TRP A 35 47.786 30.067 6.176 1.00 0.00 H new ATOM 0 HB3 TRP A 35 47.228 28.608 5.382 1.00 0.00 H new ATOM 0 HD1 TRP A 35 48.444 29.178 9.061 1.00 0.00 H new ATOM 0 HE1 TRP A 35 46.701 28.184 10.704 1.00 0.00 H new ATOM 0 HE3 TRP A 35 45.123 27.613 5.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 44.190 26.880 10.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 43.053 26.486 6.357 1.00 0.00 H new ATOM 0 HH2 TRP A 35 42.562 26.113 8.711 1.00 0.00 H new ATOM 555 N ALA A 36 49.142 27.225 4.070 1.00 0.00 N ATOM 556 CA ALA A 36 49.472 26.898 2.693 1.00 0.00 C ATOM 557 C ALA A 36 49.117 28.083 1.793 1.00 0.00 C ATOM 558 O ALA A 36 49.856 28.404 0.863 1.00 0.00 O ATOM 559 CB ALA A 36 48.744 25.616 2.284 1.00 0.00 C ATOM 0 H ALA A 36 48.475 26.591 4.511 1.00 0.00 H new ATOM 0 HA ALA A 36 50.541 26.713 2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 36 48.991 25.371 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 36 49.053 24.798 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 36 47.668 25.764 2.374 1.00 0.00 H new ATOM 565 N LYS A 37 47.986 28.701 2.100 1.00 0.00 N ATOM 566 CA LYS A 37 47.524 29.844 1.330 1.00 0.00 C ATOM 567 C LYS A 37 48.425 31.046 1.620 1.00 0.00 C ATOM 568 O LYS A 37 48.247 32.114 1.037 1.00 0.00 O ATOM 569 CB LYS A 37 46.041 30.107 1.599 1.00 0.00 C ATOM 570 CG LYS A 37 45.231 28.811 1.519 1.00 0.00 C ATOM 571 CD LYS A 37 45.196 28.274 0.087 1.00 0.00 C ATOM 572 CE LYS A 37 44.403 26.968 0.010 1.00 0.00 C ATOM 573 NZ LYS A 37 45.271 25.861 -0.452 1.00 0.00 N ATOM 0 H LYS A 37 47.376 28.432 2.872 1.00 0.00 H new ATOM 0 HA LYS A 37 47.599 29.640 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 37 45.921 30.555 2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 37 45.658 30.825 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 37 45.668 28.063 2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 37 44.214 28.991 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 37 44.746 29.016 -0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 37 46.213 28.107 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 37 43.989 26.729 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 37 43.561 27.087 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 44.717 24.982 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 45.646 26.085 -1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 46.060 25.738 0.214 1.00 0.00 H new ATOM 587 N ASP A 38 49.372 30.832 2.522 1.00 0.00 N ATOM 588 CA ASP A 38 50.300 31.885 2.896 1.00 0.00 C ATOM 589 C ASP A 38 51.731 31.348 2.823 1.00 0.00 C ATOM 590 O ASP A 38 52.641 31.911 3.429 1.00 0.00 O ATOM 591 CB ASP A 38 50.046 32.360 4.328 1.00 0.00 C ATOM 592 CG ASP A 38 50.179 33.869 4.542 1.00 0.00 C ATOM 593 OD1 ASP A 38 50.743 34.523 3.638 1.00 0.00 O ATOM 594 OD2 ASP A 38 49.714 34.334 5.605 1.00 0.00 O ATOM 0 H ASP A 38 49.516 29.945 3.004 1.00 0.00 H new ATOM 0 HA ASP A 38 50.158 32.719 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 38 49.043 32.053 4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 38 50.744 31.851 4.993 1.00 0.00 H new ATOM 599 N CYS A 39 51.884 30.264 2.075 1.00 0.00 N ATOM 600 CA CYS A 39 53.189 29.644 1.915 1.00 0.00 C ATOM 601 C CYS A 39 54.079 30.598 1.115 1.00 0.00 C ATOM 602 O CYS A 39 53.662 31.123 0.084 1.00 0.00 O ATOM 603 CB CYS A 39 53.084 28.269 1.252 1.00 0.00 C ATOM 604 SG CYS A 39 54.686 27.393 1.373 1.00 0.00 S ATOM 0 H CYS A 39 51.127 29.800 1.574 1.00 0.00 H new ATOM 0 HA CYS A 39 53.634 29.469 2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 39 52.302 27.682 1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 39 52.799 28.381 0.206 1.00 0.00 H new ATOM 0 HG CYS A 39 54.666 26.344 0.605 1.00 0.00 H new ATOM 609 N PRO A 40 55.320 30.797 1.633 1.00 0.00 N ATOM 610 CA PRO A 40 56.272 31.677 0.978 1.00 0.00 C ATOM 611 C PRO A 40 56.862 31.017 -0.270 1.00 0.00 C ATOM 612 O PRO A 40 57.703 31.603 -0.948 1.00 0.00 O ATOM 613 CB PRO A 40 57.318 31.984 2.038 1.00 0.00 C ATOM 614 CG PRO A 40 57.169 30.903 3.096 1.00 0.00 C ATOM 615 CD PRO A 40 55.848 30.191 2.852 1.00 0.00 C ATOM 0 HA PRO A 40 55.812 32.595 0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 40 58.321 31.977 1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 40 57.161 32.974 2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 40 57.999 30.198 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 40 57.188 31.340 4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 40 55.993 29.118 2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 40 55.164 30.327 3.690 1.00 0.00 H new ATOM 623 N LYS A 41 56.396 29.804 -0.534 1.00 0.00 N ATOM 624 CA LYS A 41 56.867 29.058 -1.688 1.00 0.00 C ATOM 625 C LYS A 41 55.948 29.336 -2.879 1.00 0.00 C ATOM 626 O LYS A 41 56.349 29.166 -4.030 1.00 0.00 O ATOM 627 CB LYS A 41 56.999 27.572 -1.347 1.00 0.00 C ATOM 628 CG LYS A 41 58.399 27.253 -0.818 1.00 0.00 C ATOM 629 CD LYS A 41 58.324 26.468 0.493 1.00 0.00 C ATOM 630 CE LYS A 41 58.940 25.077 0.335 1.00 0.00 C ATOM 631 NZ LYS A 41 59.763 24.737 1.517 1.00 0.00 N ATOM 0 H LYS A 41 55.698 29.321 0.031 1.00 0.00 H new ATOM 0 HA LYS A 41 57.867 29.387 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 41 56.253 27.299 -0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 41 56.796 26.972 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 41 58.949 26.676 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 41 58.952 28.179 -0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 41 58.847 27.014 1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 41 57.284 26.376 0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 41 58.151 24.336 0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 41 59.555 25.045 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 60.769 24.865 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 59.506 25.360 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 59.592 23.747 1.786 1.00 0.00 H new ATOM 667 N PRO A 43 54.683 30.414 -5.820 1.00 0.00 N ATOM 668 CA PRO A 43 55.284 31.182 -6.897 1.00 0.00 C ATOM 669 C PRO A 43 54.252 32.094 -7.563 1.00 0.00 C ATOM 670 O PRO A 43 53.049 31.890 -7.413 1.00 0.00 O ATOM 671 CB PRO A 43 55.860 30.144 -7.847 1.00 0.00 C ATOM 672 CG PRO A 43 55.159 28.838 -7.510 1.00 0.00 C ATOM 673 CD PRO A 43 54.459 29.016 -6.173 1.00 0.00 C ATOM 0 HA PRO A 43 56.064 31.858 -6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 43 55.685 30.425 -8.886 1.00 0.00 H new ATOM 0 HB3 PRO A 43 56.939 30.053 -7.719 1.00 0.00 H new ATOM 0 HG2 PRO A 43 54.439 28.580 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 43 55.879 28.021 -7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 43 53.395 28.793 -6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 43 54.871 28.346 -5.418 1.00 0.00 H new ATOM 681 N ARG A 44 54.761 33.082 -8.285 1.00 0.00 N ATOM 682 CA ARG A 44 53.898 34.026 -8.974 1.00 0.00 C ATOM 683 C ARG A 44 54.737 35.083 -9.696 1.00 0.00 C ATOM 684 O ARG A 44 55.813 35.452 -9.228 1.00 0.00 O ATOM 685 CB ARG A 44 52.948 34.720 -7.996 1.00 0.00 C ATOM 686 CG ARG A 44 51.557 34.889 -8.609 1.00 0.00 C ATOM 687 CD ARG A 44 50.918 36.206 -8.166 1.00 0.00 C ATOM 688 NE ARG A 44 50.793 37.123 -9.321 1.00 0.00 N ATOM 689 CZ ARG A 44 50.228 38.336 -9.260 1.00 0.00 C ATOM 690 NH1 ARG A 44 49.732 38.787 -8.100 1.00 0.00 N ATOM 691 NH2 ARG A 44 50.159 39.099 -10.360 1.00 0.00 N ATOM 0 H ARG A 44 55.760 33.249 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 44 53.308 33.467 -9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 44 52.876 34.137 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 44 53.350 35.696 -7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 44 51.630 34.864 -9.696 1.00 0.00 H new ATOM 0 HG3 ARG A 44 50.921 34.055 -8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 44 49.935 36.016 -7.735 1.00 0.00 H new ATOM 0 HD3 ARG A 44 51.524 36.670 -7.387 1.00 0.00 H new ATOM 0 HE ARG A 44 51.160 36.812 -10.220 1.00 0.00 H new ATOM 0 HH11 ARG A 44 49.785 38.207 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 44 49.302 39.711 -8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 44 50.537 38.756 -11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 44 49.729 40.023 -10.314 1.00 0.00 H new ATOM 705 N GLY A 45 54.213 35.540 -10.824 1.00 0.00 N ATOM 706 CA GLY A 45 54.901 36.546 -11.615 1.00 0.00 C ATOM 707 C GLY A 45 55.110 37.829 -10.807 1.00 0.00 C ATOM 708 O GLY A 45 54.573 37.970 -9.710 1.00 0.00 O ATOM 0 H GLY A 45 53.320 35.232 -11.209 1.00 0.00 H new ATOM 0 HA2 GLY A 45 55.865 36.158 -11.945 1.00 0.00 H new ATOM 0 HA3 GLY A 45 54.323 36.767 -12.512 1.00 0.00 H new ATOM 712 N PRO A 46 55.913 38.755 -11.397 1.00 0.00 N ATOM 713 CA PRO A 46 56.510 38.508 -12.699 1.00 0.00 C ATOM 714 C PRO A 46 57.672 37.518 -12.591 1.00 0.00 C ATOM 715 O PRO A 46 57.923 36.965 -11.521 1.00 0.00 O ATOM 716 CB PRO A 46 56.940 39.876 -13.201 1.00 0.00 C ATOM 717 CG PRO A 46 56.992 40.772 -11.974 1.00 0.00 C ATOM 718 CD PRO A 46 56.273 40.056 -10.842 1.00 0.00 C ATOM 0 HA PRO A 46 55.816 38.042 -13.398 1.00 0.00 H new ATOM 0 HB2 PRO A 46 57.913 39.825 -13.689 1.00 0.00 H new ATOM 0 HB3 PRO A 46 56.234 40.262 -13.937 1.00 0.00 H new ATOM 0 HG2 PRO A 46 58.025 40.981 -11.698 1.00 0.00 H new ATOM 0 HG3 PRO A 46 56.517 41.731 -12.181 1.00 0.00 H new ATOM 0 HD2 PRO A 46 56.916 39.950 -9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 46 55.390 40.608 -10.522 1.00 0.00 H new ATOM 726 N ARG A 47 58.349 37.325 -13.713 1.00 0.00 N ATOM 727 CA ARG A 47 59.479 36.412 -13.758 1.00 0.00 C ATOM 728 C ARG A 47 60.703 37.050 -13.099 1.00 0.00 C ATOM 729 O ARG A 47 60.749 38.265 -12.909 1.00 0.00 O ATOM 730 CB ARG A 47 59.823 36.033 -15.199 1.00 0.00 C ATOM 731 CG ARG A 47 60.348 37.243 -15.974 1.00 0.00 C ATOM 732 CD ARG A 47 59.312 37.736 -16.987 1.00 0.00 C ATOM 733 NE ARG A 47 58.970 39.150 -16.714 1.00 0.00 N ATOM 734 CZ ARG A 47 58.415 39.976 -17.612 1.00 0.00 C ATOM 735 NH1 ARG A 47 58.136 39.534 -18.846 1.00 0.00 N ATOM 736 NH2 ARG A 47 58.139 41.243 -17.276 1.00 0.00 N ATOM 0 H ARG A 47 58.137 37.785 -14.598 1.00 0.00 H new ATOM 0 HA ARG A 47 59.199 35.510 -13.214 1.00 0.00 H new ATOM 0 HB2 ARG A 47 60.573 35.242 -15.202 1.00 0.00 H new ATOM 0 HB3 ARG A 47 58.938 35.635 -15.695 1.00 0.00 H new ATOM 0 HG2 ARG A 47 60.593 38.046 -15.279 1.00 0.00 H new ATOM 0 HG3 ARG A 47 61.270 36.976 -16.491 1.00 0.00 H new ATOM 0 HD2 ARG A 47 59.705 37.637 -17.999 1.00 0.00 H new ATOM 0 HD3 ARG A 47 58.415 37.119 -16.932 1.00 0.00 H new ATOM 0 HE ARG A 47 59.169 39.519 -15.784 1.00 0.00 H new ATOM 0 HH11 ARG A 47 58.346 38.569 -19.102 1.00 0.00 H new ATOM 0 HH12 ARG A 47 57.714 40.162 -19.529 1.00 0.00 H new ATOM 0 HH21 ARG A 47 58.351 41.579 -16.337 1.00 0.00 H new ATOM 0 HH22 ARG A 47 57.717 41.871 -17.959 1.00 0.00 H new ATOM 750 N GLY A 48 61.666 36.203 -12.768 1.00 0.00 N ATOM 751 CA GLY A 48 62.888 36.668 -12.134 1.00 0.00 C ATOM 752 C GLY A 48 63.867 37.223 -13.171 1.00 0.00 C ATOM 753 O GLY A 48 63.669 38.319 -13.692 1.00 0.00 O ATOM 0 H GLY A 48 61.625 35.196 -12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 48 62.651 37.440 -11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 48 63.355 35.847 -11.591 1.00 0.00 H new ATOM 757 N PRO A 49 64.928 36.419 -13.447 1.00 0.00 N ATOM 758 CA PRO A 49 65.938 36.818 -14.412 1.00 0.00 C ATOM 759 C PRO A 49 65.415 36.675 -15.843 1.00 0.00 C ATOM 760 O PRO A 49 64.307 36.186 -16.057 1.00 0.00 O ATOM 761 CB PRO A 49 67.133 35.922 -14.125 1.00 0.00 C ATOM 762 CG PRO A 49 66.591 34.748 -13.326 1.00 0.00 C ATOM 763 CD PRO A 49 65.195 35.114 -12.849 1.00 0.00 C ATOM 0 HA PRO A 49 66.214 37.869 -14.322 1.00 0.00 H new ATOM 0 HB2 PRO A 49 67.598 35.583 -15.051 1.00 0.00 H new ATOM 0 HB3 PRO A 49 67.897 36.458 -13.562 1.00 0.00 H new ATOM 0 HG2 PRO A 49 66.561 33.849 -13.941 1.00 0.00 H new ATOM 0 HG3 PRO A 49 67.240 34.532 -12.477 1.00 0.00 H new ATOM 0 HD2 PRO A 49 64.461 34.374 -13.169 1.00 0.00 H new ATOM 0 HD3 PRO A 49 65.148 35.160 -11.761 1.00 0.00 H new ATOM 771 N ARG A 50 66.238 37.112 -16.786 1.00 0.00 N ATOM 772 CA ARG A 50 65.872 37.040 -18.190 1.00 0.00 C ATOM 773 C ARG A 50 67.089 36.661 -19.037 1.00 0.00 C ATOM 774 O ARG A 50 68.148 37.275 -18.918 1.00 0.00 O ATOM 775 CB ARG A 50 65.312 38.376 -18.683 1.00 0.00 C ATOM 776 CG ARG A 50 63.927 38.193 -19.306 1.00 0.00 C ATOM 777 CD ARG A 50 63.541 39.409 -20.151 1.00 0.00 C ATOM 778 NE ARG A 50 62.992 40.475 -19.283 1.00 0.00 N ATOM 779 CZ ARG A 50 63.739 41.396 -18.660 1.00 0.00 C ATOM 780 NH1 ARG A 50 65.071 41.388 -18.805 1.00 0.00 N ATOM 781 NH2 ARG A 50 63.154 42.325 -17.892 1.00 0.00 N ATOM 0 H ARG A 50 67.156 37.517 -16.605 1.00 0.00 H new ATOM 0 HA ARG A 50 65.101 36.276 -18.293 1.00 0.00 H new ATOM 0 HB2 ARG A 50 65.251 39.078 -17.851 1.00 0.00 H new ATOM 0 HB3 ARG A 50 65.991 38.810 -19.417 1.00 0.00 H new ATOM 0 HG2 ARG A 50 63.919 37.297 -19.927 1.00 0.00 H new ATOM 0 HG3 ARG A 50 63.187 38.043 -18.520 1.00 0.00 H new ATOM 0 HD2 ARG A 50 64.413 39.780 -20.689 1.00 0.00 H new ATOM 0 HD3 ARG A 50 62.803 39.122 -20.900 1.00 0.00 H new ATOM 0 HE ARG A 50 61.981 40.510 -19.151 1.00 0.00 H new ATOM 0 HH11 ARG A 50 65.516 40.681 -19.390 1.00 0.00 H new ATOM 0 HH12 ARG A 50 65.640 42.089 -18.331 1.00 0.00 H new ATOM 0 HH21 ARG A 50 62.140 42.331 -17.782 1.00 0.00 H new ATOM 0 HH22 ARG A 50 63.723 43.026 -17.418 1.00 0.00 H new ATOM 795 N PRO A 51 66.892 35.624 -19.895 1.00 0.00 N ATOM 796 CA PRO A 51 67.961 35.156 -20.761 1.00 0.00 C ATOM 797 C PRO A 51 68.186 36.123 -21.925 1.00 0.00 C ATOM 798 O PRO A 51 67.380 37.024 -22.153 1.00 0.00 O ATOM 799 CB PRO A 51 67.523 33.773 -21.213 1.00 0.00 C ATOM 800 CG PRO A 51 66.025 33.706 -20.962 1.00 0.00 C ATOM 801 CD PRO A 51 65.652 34.873 -20.062 1.00 0.00 C ATOM 0 HA PRO A 51 68.924 35.108 -20.253 1.00 0.00 H new ATOM 0 HB2 PRO A 51 67.749 33.617 -22.268 1.00 0.00 H new ATOM 0 HB3 PRO A 51 68.047 32.996 -20.656 1.00 0.00 H new ATOM 0 HG2 PRO A 51 65.477 33.759 -21.903 1.00 0.00 H new ATOM 0 HG3 PRO A 51 65.759 32.760 -20.491 1.00 0.00 H new ATOM 0 HD2 PRO A 51 64.874 35.489 -20.514 1.00 0.00 H new ATOM 0 HD3 PRO A 51 65.267 34.526 -19.103 1.00 0.00 H new ATOM 809 N GLN A 52 69.284 35.902 -22.632 1.00 0.00 N ATOM 810 CA GLN A 52 69.625 36.742 -23.767 1.00 0.00 C ATOM 811 C GLN A 52 70.922 36.255 -24.417 1.00 0.00 C ATOM 812 O GLN A 52 71.932 36.075 -23.738 1.00 0.00 O ATOM 813 CB GLN A 52 69.739 38.209 -23.349 1.00 0.00 C ATOM 814 CG GLN A 52 69.340 39.139 -24.497 1.00 0.00 C ATOM 815 CD GLN A 52 69.698 40.591 -24.176 1.00 0.00 C ATOM 816 OE1 GLN A 52 69.046 41.260 -23.391 1.00 0.00 O ATOM 817 NE2 GLN A 52 70.768 41.041 -24.826 1.00 0.00 N ATOM 0 H GLN A 52 69.949 35.153 -22.441 1.00 0.00 H new ATOM 0 HA GLN A 52 68.823 36.669 -24.502 1.00 0.00 H new ATOM 0 HB2 GLN A 52 69.100 38.396 -22.486 1.00 0.00 H new ATOM 0 HB3 GLN A 52 70.762 38.424 -23.040 1.00 0.00 H new ATOM 0 HG2 GLN A 52 69.845 38.830 -25.412 1.00 0.00 H new ATOM 0 HG3 GLN A 52 68.269 39.057 -24.681 1.00 0.00 H new ATOM 0 HE21 GLN A 52 71.269 40.428 -25.470 1.00 0.00 H new ATOM 0 HE22 GLN A 52 71.088 41.999 -24.681 1.00 0.00 H new ATOM 826 N THR A 53 70.852 36.056 -25.725 1.00 0.00 N ATOM 827 CA THR A 53 72.008 35.594 -26.475 1.00 0.00 C ATOM 828 C THR A 53 72.287 36.526 -27.655 1.00 0.00 C ATOM 829 O THR A 53 71.470 37.388 -27.976 1.00 0.00 O ATOM 830 CB THR A 53 71.752 34.144 -26.893 1.00 0.00 C ATOM 831 OG1 THR A 53 70.546 34.209 -27.649 1.00 0.00 O ATOM 832 CG2 THR A 53 71.400 33.246 -25.705 1.00 0.00 C ATOM 0 H THR A 53 70.013 36.206 -26.285 1.00 0.00 H new ATOM 0 HA THR A 53 72.910 35.617 -25.864 1.00 0.00 H new ATOM 0 HB THR A 53 72.635 33.750 -27.397 1.00 0.00 H new ATOM 0 HG1 THR A 53 70.307 33.311 -27.961 1.00 0.00 H new ATOM 0 HG21 THR A 53 71.228 32.229 -26.056 1.00 0.00 H new ATOM 0 HG22 THR A 53 72.223 33.249 -24.990 1.00 0.00 H new ATOM 0 HG23 THR A 53 70.498 33.620 -25.221 1.00 0.00 H new ATOM 840 N SER A 54 73.443 36.323 -28.269 1.00 0.00 N ATOM 841 CA SER A 54 73.839 37.135 -29.407 1.00 0.00 C ATOM 842 C SER A 54 74.885 36.392 -30.241 1.00 0.00 C ATOM 843 O SER A 54 76.027 36.233 -29.813 1.00 0.00 O ATOM 844 CB SER A 54 74.387 38.489 -28.953 1.00 0.00 C ATOM 845 OG SER A 54 75.326 38.356 -27.890 1.00 0.00 O ATOM 0 H SER A 54 74.119 35.608 -28.000 1.00 0.00 H new ATOM 0 HA SER A 54 72.957 37.318 -30.021 1.00 0.00 H new ATOM 0 HB2 SER A 54 74.863 38.989 -29.797 1.00 0.00 H new ATOM 0 HB3 SER A 54 73.562 39.124 -28.630 1.00 0.00 H new ATOM 0 HG SER A 54 75.944 37.622 -28.089 1.00 0.00 H new