USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 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 56 HIS : no HD1:sc= -0.0879 K(o=0.059,f=-0.44) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 171:sc= 0.147 (180deg=0.0977) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -111:sc= 0.106 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0206) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0633 X(o=-0.063,f=-0.026) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.984 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 74:sc= 0.197 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 8.399 -6.076 33.559 1.00 0.00 N ATOM 2 CA GLN A 1 8.925 -5.022 34.481 1.00 0.00 C ATOM 3 C GLN A 1 7.781 -4.139 34.994 1.00 0.00 C ATOM 4 O GLN A 1 6.639 -4.290 34.599 1.00 0.00 O ATOM 5 CB GLN A 1 9.900 -4.193 33.639 1.00 0.00 C ATOM 6 CG GLN A 1 11.284 -4.850 33.651 1.00 0.00 C ATOM 7 CD GLN A 1 11.888 -4.807 32.244 1.00 0.00 C ATOM 8 OE1 GLN A 1 12.310 -3.766 31.783 1.00 0.00 O ATOM 9 NE2 GLN A 1 11.948 -5.903 31.537 1.00 0.00 N ATOM 0 H1 GLN A 1 8.486 -7.008 34.012 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.398 -5.885 33.349 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.946 -6.068 32.675 1.00 0.00 H new ATOM 0 HA GLN A 1 9.410 -5.456 35.355 1.00 0.00 H new ATOM 0 HB2 GLN A 1 9.534 -4.113 32.615 1.00 0.00 H new ATOM 0 HB3 GLN A 1 9.965 -3.179 34.034 1.00 0.00 H new ATOM 0 HG2 GLN A 1 11.937 -4.332 34.354 1.00 0.00 H new ATOM 0 HG3 GLN A 1 11.204 -5.882 33.992 1.00 0.00 H new ATOM 0 HE21 GLN A 1 11.594 -6.779 31.922 1.00 0.00 H new ATOM 0 HE22 GLN A 1 12.349 -5.884 30.599 1.00 0.00 H new ATOM 20 N VAL A 2 8.088 -3.218 35.868 1.00 0.00 N ATOM 21 CA VAL A 2 7.034 -2.312 36.416 1.00 0.00 C ATOM 22 C VAL A 2 7.509 -0.853 36.357 1.00 0.00 C ATOM 23 O VAL A 2 8.687 -0.573 36.482 1.00 0.00 O ATOM 24 CB VAL A 2 6.818 -2.773 37.867 1.00 0.00 C ATOM 25 CG1 VAL A 2 8.054 -2.454 38.716 1.00 0.00 C ATOM 26 CG2 VAL A 2 5.599 -2.054 38.455 1.00 0.00 C ATOM 0 H VAL A 2 9.028 -3.053 36.228 1.00 0.00 H new ATOM 0 HA VAL A 2 6.107 -2.359 35.845 1.00 0.00 H new ATOM 0 HB VAL A 2 6.651 -3.850 37.874 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.887 -2.786 39.741 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.921 -2.970 38.304 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.234 -1.379 38.707 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.445 -2.380 39.484 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.768 -0.977 38.437 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.715 -2.292 37.863 1.00 0.00 H new ATOM 36 N TYR A 3 6.595 0.071 36.163 1.00 0.00 N ATOM 37 CA TYR A 3 6.965 1.523 36.088 1.00 0.00 C ATOM 38 C TYR A 3 8.011 1.758 34.985 1.00 0.00 C ATOM 39 O TYR A 3 9.194 1.879 35.249 1.00 0.00 O ATOM 40 CB TYR A 3 7.529 1.873 37.472 1.00 0.00 C ATOM 41 CG TYR A 3 6.728 3.003 38.073 1.00 0.00 C ATOM 42 CD1 TYR A 3 7.013 4.328 37.723 1.00 0.00 C ATOM 43 CD2 TYR A 3 5.700 2.725 38.982 1.00 0.00 C ATOM 44 CE1 TYR A 3 6.269 5.375 38.280 1.00 0.00 C ATOM 45 CE2 TYR A 3 4.956 3.772 39.540 1.00 0.00 C ATOM 46 CZ TYR A 3 5.241 5.097 39.189 1.00 0.00 C ATOM 47 OH TYR A 3 4.509 6.129 39.738 1.00 0.00 O ATOM 0 H TYR A 3 5.599 -0.121 36.052 1.00 0.00 H new ATOM 0 HA TYR A 3 6.109 2.150 35.837 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.491 1.000 38.123 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.577 2.161 37.387 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.807 4.543 37.023 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.481 1.703 39.253 1.00 0.00 H new ATOM 0 HE1 TYR A 3 6.488 6.397 38.009 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.163 3.557 40.241 1.00 0.00 H new ATOM 0 HH TYR A 3 3.834 5.763 40.348 1.00 0.00 H new ATOM 57 N LYS A 4 7.578 1.823 33.751 1.00 0.00 N ATOM 58 CA LYS A 4 8.537 2.050 32.628 1.00 0.00 C ATOM 59 C LYS A 4 8.711 3.552 32.368 1.00 0.00 C ATOM 60 O LYS A 4 7.768 4.317 32.439 1.00 0.00 O ATOM 61 CB LYS A 4 7.906 1.364 31.412 1.00 0.00 C ATOM 62 CG LYS A 4 8.898 1.382 30.247 1.00 0.00 C ATOM 63 CD LYS A 4 8.346 0.551 29.085 1.00 0.00 C ATOM 64 CE LYS A 4 9.483 -0.246 28.435 1.00 0.00 C ATOM 65 NZ LYS A 4 10.248 0.745 27.620 1.00 0.00 N ATOM 0 H LYS A 4 6.601 1.729 33.473 1.00 0.00 H new ATOM 0 HA LYS A 4 9.527 1.651 32.851 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.637 0.337 31.659 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.986 1.875 31.129 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.073 2.408 29.922 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.859 0.981 30.569 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.573 -0.128 29.445 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.879 1.204 28.348 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.119 -0.709 29.189 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.092 -1.050 27.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.367 0.381 26.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.728 1.645 27.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.183 0.899 28.049 1.00 0.00 H new ATOM 79 N GLY A 5 9.913 3.971 32.062 1.00 0.00 N ATOM 80 CA GLY A 5 10.162 5.416 31.791 1.00 0.00 C ATOM 81 C GLY A 5 11.484 5.573 31.036 1.00 0.00 C ATOM 82 O GLY A 5 11.602 5.178 29.891 1.00 0.00 O ATOM 0 H GLY A 5 10.734 3.371 31.988 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.344 5.833 31.204 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.198 5.972 32.728 1.00 0.00 H new ATOM 86 N GLY A 6 12.477 6.145 31.669 1.00 0.00 N ATOM 87 CA GLY A 6 13.795 6.331 30.994 1.00 0.00 C ATOM 88 C GLY A 6 14.733 7.123 31.908 1.00 0.00 C ATOM 89 O GLY A 6 15.124 8.232 31.595 1.00 0.00 O ATOM 0 H GLY A 6 12.430 6.492 32.627 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.234 5.362 30.758 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.660 6.858 30.050 1.00 0.00 H new ATOM 93 N TYR A 7 15.096 6.561 33.034 1.00 0.00 N ATOM 94 CA TYR A 7 16.010 7.277 33.974 1.00 0.00 C ATOM 95 C TYR A 7 17.452 6.805 33.761 1.00 0.00 C ATOM 96 O TYR A 7 17.792 5.677 34.065 1.00 0.00 O ATOM 97 CB TYR A 7 15.519 6.904 35.378 1.00 0.00 C ATOM 98 CG TYR A 7 14.290 7.716 35.718 1.00 0.00 C ATOM 99 CD1 TYR A 7 14.427 8.997 36.267 1.00 0.00 C ATOM 100 CD2 TYR A 7 13.015 7.188 35.484 1.00 0.00 C ATOM 101 CE1 TYR A 7 13.289 9.748 36.582 1.00 0.00 C ATOM 102 CE2 TYR A 7 11.877 7.939 35.799 1.00 0.00 C ATOM 103 CZ TYR A 7 12.014 9.220 36.349 1.00 0.00 C ATOM 104 OH TYR A 7 10.891 9.961 36.660 1.00 0.00 O ATOM 0 H TYR A 7 14.798 5.636 33.343 1.00 0.00 H new ATOM 0 HA TYR A 7 16.000 8.356 33.820 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.288 5.840 35.423 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.304 7.090 36.110 1.00 0.00 H new ATOM 0 HD1 TYR A 7 15.411 9.405 36.447 1.00 0.00 H new ATOM 0 HD2 TYR A 7 12.909 6.200 35.060 1.00 0.00 H new ATOM 0 HE1 TYR A 7 13.395 10.736 37.005 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.893 7.531 35.618 1.00 0.00 H new ATOM 0 HH TYR A 7 10.087 9.447 36.434 1.00 0.00 H new ATOM 114 N ALA A 8 18.297 7.664 33.232 1.00 0.00 N ATOM 115 CA ALA A 8 19.727 7.286 32.981 1.00 0.00 C ATOM 116 C ALA A 8 19.804 6.032 32.094 1.00 0.00 C ATOM 117 O ALA A 8 20.563 5.117 32.357 1.00 0.00 O ATOM 118 CB ALA A 8 20.326 7.017 34.366 1.00 0.00 C ATOM 0 H ALA A 8 18.054 8.617 32.962 1.00 0.00 H new ATOM 0 HA ALA A 8 20.271 8.071 32.456 1.00 0.00 H new ATOM 0 HB1 ALA A 8 21.373 6.734 34.261 1.00 0.00 H new ATOM 0 HB2 ALA A 8 20.253 7.918 34.975 1.00 0.00 H new ATOM 0 HB3 ALA A 8 19.778 6.207 34.848 1.00 0.00 H new ATOM 124 N ARG A 9 19.022 5.989 31.042 1.00 0.00 N ATOM 125 CA ARG A 9 19.040 4.808 30.133 1.00 0.00 C ATOM 126 C ARG A 9 19.045 5.270 28.667 1.00 0.00 C ATOM 127 O ARG A 9 18.001 5.405 28.056 1.00 0.00 O ATOM 128 CB ARG A 9 17.755 4.038 30.462 1.00 0.00 C ATOM 129 CG ARG A 9 17.866 2.603 29.938 1.00 0.00 C ATOM 130 CD ARG A 9 18.506 1.714 31.008 1.00 0.00 C ATOM 131 NE ARG A 9 19.354 0.747 30.252 1.00 0.00 N ATOM 132 CZ ARG A 9 20.655 0.794 30.363 1.00 0.00 C ATOM 133 NH1 ARG A 9 21.254 0.116 31.307 1.00 0.00 N ATOM 134 NH2 ARG A 9 21.353 1.522 29.531 1.00 0.00 N ATOM 0 H ARG A 9 18.370 6.727 30.776 1.00 0.00 H new ATOM 0 HA ARG A 9 19.927 4.189 30.269 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.590 4.030 31.539 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.896 4.535 30.011 1.00 0.00 H new ATOM 0 HG2 ARG A 9 16.878 2.223 29.678 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.465 2.583 29.028 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.104 2.303 31.704 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.748 1.197 31.597 1.00 0.00 H new ATOM 0 HE ARG A 9 18.918 0.049 29.649 1.00 0.00 H new ATOM 0 HH11 ARG A 9 20.706 -0.449 31.956 1.00 0.00 H new ATOM 0 HH12 ARG A 9 22.270 0.152 31.395 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.882 2.051 28.798 1.00 0.00 H new ATOM 0 HH22 ARG A 9 22.369 1.560 29.615 1.00 0.00 H new ATOM 148 N PRO A 10 20.230 5.502 28.151 1.00 0.00 N ATOM 149 CA PRO A 10 20.376 5.957 26.740 1.00 0.00 C ATOM 150 C PRO A 10 20.055 4.814 25.768 1.00 0.00 C ATOM 151 O PRO A 10 19.882 3.678 26.170 1.00 0.00 O ATOM 152 CB PRO A 10 21.846 6.363 26.646 1.00 0.00 C ATOM 153 CG PRO A 10 22.535 5.579 27.717 1.00 0.00 C ATOM 154 CD PRO A 10 21.532 5.366 28.820 1.00 0.00 C ATOM 0 HA PRO A 10 19.698 6.769 26.479 1.00 0.00 H new ATOM 0 HB2 PRO A 10 22.257 6.133 25.663 1.00 0.00 H new ATOM 0 HB3 PRO A 10 21.970 7.435 26.800 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.890 4.624 27.329 1.00 0.00 H new ATOM 0 HG3 PRO A 10 23.408 6.117 28.088 1.00 0.00 H new ATOM 0 HD2 PRO A 10 21.645 4.383 29.277 1.00 0.00 H new ATOM 0 HD3 PRO A 10 21.651 6.102 29.615 1.00 0.00 H new ATOM 162 N ILE A 11 19.970 5.111 24.493 1.00 0.00 N ATOM 163 CA ILE A 11 19.655 4.049 23.485 1.00 0.00 C ATOM 164 C ILE A 11 20.695 2.913 23.552 1.00 0.00 C ATOM 165 O ILE A 11 21.862 3.122 23.275 1.00 0.00 O ATOM 166 CB ILE A 11 19.687 4.759 22.118 1.00 0.00 C ATOM 167 CG1 ILE A 11 19.383 3.744 21.011 1.00 0.00 C ATOM 168 CG2 ILE A 11 21.065 5.386 21.867 1.00 0.00 C ATOM 169 CD1 ILE A 11 18.760 4.464 19.813 1.00 0.00 C ATOM 0 H ILE A 11 20.105 6.045 24.106 1.00 0.00 H new ATOM 0 HA ILE A 11 18.686 3.585 23.668 1.00 0.00 H new ATOM 0 HB ILE A 11 18.936 5.549 22.117 1.00 0.00 H new ATOM 0 HG12 ILE A 11 20.299 3.236 20.707 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.702 2.978 21.383 1.00 0.00 H new ATOM 0 HG21 ILE A 11 21.067 5.883 20.897 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.281 6.115 22.648 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.827 4.606 21.878 1.00 0.00 H new ATOM 0 HD11 ILE A 11 18.544 3.741 19.026 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.835 4.951 20.122 1.00 0.00 H new ATOM 0 HD13 ILE A 11 19.456 5.213 19.436 1.00 0.00 H new ATOM 181 N PRO A 12 20.229 1.742 23.924 1.00 0.00 N ATOM 182 CA PRO A 12 21.124 0.559 24.029 1.00 0.00 C ATOM 183 C PRO A 12 21.452 0.004 22.633 1.00 0.00 C ATOM 184 O PRO A 12 20.971 -1.046 22.247 1.00 0.00 O ATOM 185 CB PRO A 12 20.299 -0.440 24.838 1.00 0.00 C ATOM 186 CG PRO A 12 18.871 -0.058 24.600 1.00 0.00 C ATOM 187 CD PRO A 12 18.842 1.415 24.282 1.00 0.00 C ATOM 0 HA PRO A 12 22.084 0.786 24.493 1.00 0.00 H new ATOM 0 HB2 PRO A 12 20.492 -1.463 24.514 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.548 -0.389 25.898 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.452 -0.636 23.777 1.00 0.00 H new ATOM 0 HG3 PRO A 12 18.265 -0.272 25.481 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.159 1.630 23.460 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.505 1.999 25.138 1.00 0.00 H new ATOM 195 N ARG A 13 22.270 0.712 21.881 1.00 0.00 N ATOM 196 CA ARG A 13 22.655 0.263 20.500 1.00 0.00 C ATOM 197 C ARG A 13 21.425 0.217 19.574 1.00 0.00 C ATOM 198 O ARG A 13 20.573 -0.640 19.719 1.00 0.00 O ATOM 199 CB ARG A 13 23.260 -1.138 20.668 1.00 0.00 C ATOM 200 CG ARG A 13 23.874 -1.599 19.342 1.00 0.00 C ATOM 201 CD ARG A 13 23.696 -3.113 19.189 1.00 0.00 C ATOM 202 NE ARG A 13 22.336 -3.291 18.601 1.00 0.00 N ATOM 203 CZ ARG A 13 21.421 -3.961 19.253 1.00 0.00 C ATOM 204 NH1 ARG A 13 21.510 -5.263 19.348 1.00 0.00 N ATOM 205 NH2 ARG A 13 20.423 -3.328 19.809 1.00 0.00 N ATOM 0 H ARG A 13 22.692 1.594 22.171 1.00 0.00 H new ATOM 0 HA ARG A 13 23.363 0.953 20.042 1.00 0.00 H new ATOM 0 HB2 ARG A 13 24.022 -1.124 21.447 1.00 0.00 H new ATOM 0 HB3 ARG A 13 22.490 -1.841 20.987 1.00 0.00 H new ATOM 0 HG2 ARG A 13 23.397 -1.081 18.510 1.00 0.00 H new ATOM 0 HG3 ARG A 13 24.933 -1.343 19.312 1.00 0.00 H new ATOM 0 HD2 ARG A 13 24.463 -3.536 18.541 1.00 0.00 H new ATOM 0 HD3 ARG A 13 23.778 -3.618 20.151 1.00 0.00 H new ATOM 0 HE ARG A 13 22.119 -2.889 17.689 1.00 0.00 H new ATOM 0 HH11 ARG A 13 22.292 -5.754 18.914 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.798 -5.787 19.856 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.358 -2.313 19.734 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.709 -3.849 20.318 1.00 0.00 H new ATOM 219 N PRO A 14 21.379 1.140 18.642 1.00 0.00 N ATOM 220 CA PRO A 14 20.247 1.194 17.679 1.00 0.00 C ATOM 221 C PRO A 14 20.342 0.029 16.679 1.00 0.00 C ATOM 222 O PRO A 14 21.254 -0.020 15.873 1.00 0.00 O ATOM 223 CB PRO A 14 20.432 2.541 16.981 1.00 0.00 C ATOM 224 CG PRO A 14 21.889 2.850 17.117 1.00 0.00 C ATOM 225 CD PRO A 14 22.360 2.207 18.395 1.00 0.00 C ATOM 0 HA PRO A 14 19.270 1.103 18.154 1.00 0.00 H new ATOM 0 HB2 PRO A 14 20.136 2.487 15.933 1.00 0.00 H new ATOM 0 HB3 PRO A 14 19.820 3.314 17.446 1.00 0.00 H new ATOM 0 HG2 PRO A 14 22.446 2.464 16.263 1.00 0.00 H new ATOM 0 HG3 PRO A 14 22.054 3.927 17.144 1.00 0.00 H new ATOM 0 HD2 PRO A 14 23.368 1.806 18.291 1.00 0.00 H new ATOM 0 HD3 PRO A 14 22.385 2.923 19.216 1.00 0.00 H new ATOM 233 N PRO A 15 19.397 -0.881 16.770 1.00 0.00 N ATOM 234 CA PRO A 15 19.383 -2.061 15.865 1.00 0.00 C ATOM 235 C PRO A 15 18.966 -1.652 14.443 1.00 0.00 C ATOM 236 O PRO A 15 18.396 -0.595 14.245 1.00 0.00 O ATOM 237 CB PRO A 15 18.345 -2.985 16.495 1.00 0.00 C ATOM 238 CG PRO A 15 17.443 -2.083 17.276 1.00 0.00 C ATOM 239 CD PRO A 15 18.266 -0.898 17.710 1.00 0.00 C ATOM 0 HA PRO A 15 20.361 -2.532 15.765 1.00 0.00 H new ATOM 0 HB2 PRO A 15 17.791 -3.533 15.733 1.00 0.00 H new ATOM 0 HB3 PRO A 15 18.817 -3.726 17.141 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.598 -1.762 16.667 1.00 0.00 H new ATOM 0 HG3 PRO A 15 17.033 -2.604 18.141 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.691 0.027 17.658 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.606 -1.005 18.740 1.00 0.00 H new ATOM 247 N PRO A 16 19.268 -2.511 13.496 1.00 0.00 N ATOM 248 CA PRO A 16 18.922 -2.239 12.076 1.00 0.00 C ATOM 249 C PRO A 16 17.408 -2.371 11.853 1.00 0.00 C ATOM 250 O PRO A 16 16.883 -3.460 11.702 1.00 0.00 O ATOM 251 CB PRO A 16 19.690 -3.314 11.308 1.00 0.00 C ATOM 252 CG PRO A 16 19.885 -4.426 12.288 1.00 0.00 C ATOM 253 CD PRO A 16 19.953 -3.802 13.657 1.00 0.00 C ATOM 0 HA PRO A 16 19.182 -1.230 11.757 1.00 0.00 H new ATOM 0 HB2 PRO A 16 19.131 -3.651 10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 16 20.646 -2.934 10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 16 19.063 -5.139 12.230 1.00 0.00 H new ATOM 0 HG3 PRO A 16 20.800 -4.976 12.069 1.00 0.00 H new ATOM 0 HD2 PRO A 16 19.460 -4.424 14.404 1.00 0.00 H new ATOM 0 HD3 PRO A 16 20.984 -3.668 13.984 1.00 0.00 H new ATOM 261 N PHE A 17 16.707 -1.265 11.836 1.00 0.00 N ATOM 262 CA PHE A 17 15.229 -1.307 11.626 1.00 0.00 C ATOM 263 C PHE A 17 14.900 -1.624 10.163 1.00 0.00 C ATOM 264 O PHE A 17 15.728 -1.481 9.281 1.00 0.00 O ATOM 265 CB PHE A 17 14.729 0.093 11.999 1.00 0.00 C ATOM 266 CG PHE A 17 13.230 0.065 12.194 1.00 0.00 C ATOM 267 CD1 PHE A 17 12.681 -0.542 13.330 1.00 0.00 C ATOM 268 CD2 PHE A 17 12.389 0.645 11.235 1.00 0.00 C ATOM 269 CE1 PHE A 17 11.293 -0.568 13.507 1.00 0.00 C ATOM 270 CE2 PHE A 17 11.002 0.618 11.413 1.00 0.00 C ATOM 271 CZ PHE A 17 10.453 0.011 12.550 1.00 0.00 C ATOM 0 H PHE A 17 17.098 -0.331 11.959 1.00 0.00 H new ATOM 0 HA PHE A 17 14.755 -2.082 12.228 1.00 0.00 H new ATOM 0 HB2 PHE A 17 15.218 0.433 12.912 1.00 0.00 H new ATOM 0 HB3 PHE A 17 14.990 0.804 11.215 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.328 -0.990 14.069 1.00 0.00 H new ATOM 0 HD2 PHE A 17 12.812 1.113 10.358 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.870 -1.036 14.384 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.354 1.065 10.674 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.382 -0.010 12.688 1.00 0.00 H new ATOM 281 N VAL A 18 13.692 -2.054 9.909 1.00 0.00 N ATOM 282 CA VAL A 18 13.280 -2.389 8.509 1.00 0.00 C ATOM 283 C VAL A 18 13.145 -1.108 7.674 1.00 0.00 C ATOM 284 O VAL A 18 12.845 -0.046 8.189 1.00 0.00 O ATOM 285 CB VAL A 18 11.922 -3.092 8.648 1.00 0.00 C ATOM 286 CG1 VAL A 18 11.354 -3.406 7.260 1.00 0.00 C ATOM 287 CG2 VAL A 18 12.099 -4.399 9.427 1.00 0.00 C ATOM 0 H VAL A 18 12.967 -2.189 10.614 1.00 0.00 H new ATOM 0 HA VAL A 18 14.012 -3.019 8.004 1.00 0.00 H new ATOM 0 HB VAL A 18 11.234 -2.436 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.391 -3.905 7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.224 -2.479 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.043 -4.058 6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.135 -4.897 9.525 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.791 -5.050 8.893 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.497 -4.181 10.418 1.00 0.00 H new ATOM 297 N ARG A 19 13.366 -1.205 6.387 1.00 0.00 N ATOM 298 CA ARG A 19 13.253 0.000 5.508 1.00 0.00 C ATOM 299 C ARG A 19 11.778 0.390 5.322 1.00 0.00 C ATOM 300 O ARG A 19 10.947 -0.454 5.037 1.00 0.00 O ATOM 301 CB ARG A 19 13.873 -0.420 4.172 1.00 0.00 C ATOM 302 CG ARG A 19 14.428 0.811 3.450 1.00 0.00 C ATOM 303 CD ARG A 19 15.893 1.023 3.847 1.00 0.00 C ATOM 304 NE ARG A 19 16.677 0.141 2.933 1.00 0.00 N ATOM 305 CZ ARG A 19 17.939 0.389 2.712 1.00 0.00 C ATOM 306 NH1 ARG A 19 18.282 1.258 1.799 1.00 0.00 N ATOM 307 NH2 ARG A 19 18.857 -0.233 3.405 1.00 0.00 N ATOM 0 H ARG A 19 13.620 -2.068 5.906 1.00 0.00 H new ATOM 0 HA ARG A 19 13.756 0.868 5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.670 -1.144 4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.124 -0.911 3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.349 0.679 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.840 1.692 3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.185 2.067 3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.061 0.757 4.891 1.00 0.00 H new ATOM 0 HE ARG A 19 16.227 -0.655 2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.564 1.742 1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.268 1.453 1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.586 -0.911 4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.844 -0.040 3.233 1.00 0.00 H new ATOM 321 N PRO A 20 11.501 1.665 5.491 1.00 0.00 N ATOM 322 CA PRO A 20 10.112 2.176 5.337 1.00 0.00 C ATOM 323 C PRO A 20 9.706 2.221 3.856 1.00 0.00 C ATOM 324 O PRO A 20 10.409 1.722 2.996 1.00 0.00 O ATOM 325 CB PRO A 20 10.184 3.584 5.924 1.00 0.00 C ATOM 326 CG PRO A 20 11.615 3.992 5.785 1.00 0.00 C ATOM 327 CD PRO A 20 12.444 2.736 5.841 1.00 0.00 C ATOM 0 HA PRO A 20 9.371 1.547 5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.525 4.268 5.389 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.872 3.592 6.968 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.776 4.517 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.899 4.676 6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 20 13.277 2.777 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.869 2.584 6.833 1.00 0.00 H new ATOM 335 N LEU A 21 8.573 2.820 3.563 1.00 0.00 N ATOM 336 CA LEU A 21 8.086 2.919 2.147 1.00 0.00 C ATOM 337 C LEU A 21 7.849 1.518 1.558 1.00 0.00 C ATOM 338 O LEU A 21 8.640 1.031 0.770 1.00 0.00 O ATOM 339 CB LEU A 21 9.191 3.663 1.383 1.00 0.00 C ATOM 340 CG LEU A 21 8.581 4.404 0.189 1.00 0.00 C ATOM 341 CD1 LEU A 21 8.369 5.875 0.551 1.00 0.00 C ATOM 342 CD2 LEU A 21 9.530 4.307 -1.009 1.00 0.00 C ATOM 0 H LEU A 21 7.958 3.250 4.254 1.00 0.00 H new ATOM 0 HA LEU A 21 7.134 3.446 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.692 4.369 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.947 2.958 1.038 1.00 0.00 H new ATOM 0 HG LEU A 21 7.622 3.952 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.935 6.400 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.694 5.946 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.327 6.328 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.097 4.834 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.488 4.759 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.681 3.259 -1.270 1.00 0.00 H new ATOM 354 N PRO A 22 6.756 0.913 1.964 1.00 0.00 N ATOM 355 CA PRO A 22 6.405 -0.447 1.472 1.00 0.00 C ATOM 356 C PRO A 22 5.906 -0.388 0.021 1.00 0.00 C ATOM 357 O PRO A 22 5.128 0.475 -0.344 1.00 0.00 O ATOM 358 CB PRO A 22 5.289 -0.891 2.415 1.00 0.00 C ATOM 359 CG PRO A 22 4.680 0.376 2.925 1.00 0.00 C ATOM 360 CD PRO A 22 5.756 1.431 2.908 1.00 0.00 C ATOM 0 HA PRO A 22 7.253 -1.131 1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.551 -1.500 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.681 -1.496 3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.838 0.676 2.301 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.294 0.237 3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.364 2.395 2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.184 1.579 3.900 1.00 0.00 H new ATOM 368 N GLY A 23 6.348 -1.304 -0.806 1.00 0.00 N ATOM 369 CA GLY A 23 5.907 -1.314 -2.233 1.00 0.00 C ATOM 370 C GLY A 23 4.852 -2.404 -2.434 1.00 0.00 C ATOM 371 O GLY A 23 5.150 -3.582 -2.380 1.00 0.00 O ATOM 0 H GLY A 23 6.998 -2.048 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.497 -0.341 -2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.760 -1.494 -2.887 1.00 0.00 H new ATOM 375 N GLY A 24 3.618 -2.022 -2.664 1.00 0.00 N ATOM 376 CA GLY A 24 2.541 -3.036 -2.867 1.00 0.00 C ATOM 377 C GLY A 24 1.895 -3.376 -1.518 1.00 0.00 C ATOM 378 O GLY A 24 2.360 -4.255 -0.819 1.00 0.00 O ATOM 0 H GLY A 24 3.313 -1.050 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.789 -2.650 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.956 -3.936 -3.320 1.00 0.00 H new ATOM 382 N PRO A 25 0.841 -2.661 -1.196 1.00 0.00 N ATOM 383 CA PRO A 25 0.123 -2.893 0.087 1.00 0.00 C ATOM 384 C PRO A 25 -0.659 -4.215 0.046 1.00 0.00 C ATOM 385 O PRO A 25 -1.004 -4.712 -1.011 1.00 0.00 O ATOM 386 CB PRO A 25 -0.823 -1.698 0.188 1.00 0.00 C ATOM 387 CG PRO A 25 -1.031 -1.245 -1.221 1.00 0.00 C ATOM 388 CD PRO A 25 0.223 -1.584 -1.983 1.00 0.00 C ATOM 0 HA PRO A 25 0.794 -2.974 0.942 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.767 -1.981 0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.391 -0.904 0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.896 -1.741 -1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.226 -0.173 -1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.003 -1.911 -2.998 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.884 -0.721 -2.066 1.00 0.00 H new ATOM 396 N ILE A 26 -0.936 -4.784 1.193 1.00 0.00 N ATOM 397 CA ILE A 26 -1.690 -6.074 1.240 1.00 0.00 C ATOM 398 C ILE A 26 -3.177 -5.848 0.917 1.00 0.00 C ATOM 399 O ILE A 26 -3.675 -4.739 0.980 1.00 0.00 O ATOM 400 CB ILE A 26 -1.506 -6.590 2.677 1.00 0.00 C ATOM 401 CG1 ILE A 26 -2.003 -8.036 2.770 1.00 0.00 C ATOM 402 CG2 ILE A 26 -2.298 -5.716 3.657 1.00 0.00 C ATOM 403 CD1 ILE A 26 -1.372 -8.718 3.985 1.00 0.00 C ATOM 0 H ILE A 26 -0.671 -4.408 2.103 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.326 -6.790 0.504 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.448 -6.548 2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.090 -8.053 2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.745 -8.579 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.161 -6.090 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.941 -4.688 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.357 -5.748 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.727 -9.747 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.287 -8.714 3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.652 -8.180 4.891 1.00 0.00 H new ATOM 415 N GLY A 27 -3.881 -6.898 0.574 1.00 0.00 N ATOM 416 CA GLY A 27 -5.334 -6.766 0.243 1.00 0.00 C ATOM 417 C GLY A 27 -5.500 -6.522 -1.262 1.00 0.00 C ATOM 418 O GLY A 27 -5.657 -5.395 -1.688 1.00 0.00 O ATOM 0 H GLY A 27 -3.510 -7.846 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.867 -7.670 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.772 -5.941 0.806 1.00 0.00 H new ATOM 422 N PRO A 28 -5.461 -7.593 -2.021 1.00 0.00 N ATOM 423 CA PRO A 28 -5.608 -7.488 -3.496 1.00 0.00 C ATOM 424 C PRO A 28 -7.081 -7.276 -3.879 1.00 0.00 C ATOM 425 O PRO A 28 -7.921 -7.024 -3.035 1.00 0.00 O ATOM 426 CB PRO A 28 -5.100 -8.837 -4.000 1.00 0.00 C ATOM 427 CG PRO A 28 -5.295 -9.789 -2.861 1.00 0.00 C ATOM 428 CD PRO A 28 -5.277 -8.985 -1.584 1.00 0.00 C ATOM 0 HA PRO A 28 -5.064 -6.645 -3.923 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.654 -9.161 -4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.050 -8.779 -4.287 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.241 -10.321 -2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.506 -10.541 -2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.073 -9.297 -0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.336 -9.112 -1.049 1.00 0.00 H new ATOM 436 N TYR A 29 -7.397 -7.381 -5.147 1.00 0.00 N ATOM 437 CA TYR A 29 -8.813 -7.192 -5.594 1.00 0.00 C ATOM 438 C TYR A 29 -9.629 -8.463 -5.307 1.00 0.00 C ATOM 439 O TYR A 29 -10.128 -9.113 -6.207 1.00 0.00 O ATOM 440 CB TYR A 29 -8.712 -6.930 -7.101 1.00 0.00 C ATOM 441 CG TYR A 29 -9.937 -6.185 -7.581 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.975 -4.786 -7.527 1.00 0.00 C ATOM 443 CD2 TYR A 29 -11.028 -6.894 -8.095 1.00 0.00 C ATOM 444 CE1 TYR A 29 -11.104 -4.098 -7.986 1.00 0.00 C ATOM 445 CE2 TYR A 29 -12.158 -6.207 -8.551 1.00 0.00 C ATOM 446 CZ TYR A 29 -12.196 -4.807 -8.496 1.00 0.00 C ATOM 447 OH TYR A 29 -13.309 -4.129 -8.949 1.00 0.00 O ATOM 0 H TYR A 29 -6.734 -7.590 -5.893 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.315 -6.376 -5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.815 -6.350 -7.318 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.618 -7.874 -7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.133 -4.238 -7.131 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.998 -7.973 -8.140 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -11.132 -3.019 -7.946 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.001 -6.755 -8.945 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.975 -4.772 -9.271 1.00 0.00 H new ATOM 457 N ASN A 30 -9.759 -8.824 -4.053 1.00 0.00 N ATOM 458 CA ASN A 30 -10.530 -10.052 -3.697 1.00 0.00 C ATOM 459 C ASN A 30 -11.393 -9.809 -2.450 1.00 0.00 C ATOM 460 O ASN A 30 -11.513 -10.663 -1.591 1.00 0.00 O ATOM 461 CB ASN A 30 -9.463 -11.116 -3.417 1.00 0.00 C ATOM 462 CG ASN A 30 -8.950 -11.693 -4.739 1.00 0.00 C ATOM 463 OD1 ASN A 30 -9.506 -12.641 -5.258 1.00 0.00 O ATOM 464 ND2 ASN A 30 -7.904 -11.159 -5.310 1.00 0.00 N ATOM 0 H ASN A 30 -9.363 -8.319 -3.261 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.213 -10.353 -4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.638 -10.678 -2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.882 -11.911 -2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.555 -11.538 -6.190 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.436 -10.363 -4.876 1.00 0.00 H new ATOM 471 N GLY A 31 -12.000 -8.651 -2.346 1.00 0.00 N ATOM 472 CA GLY A 31 -12.856 -8.357 -1.158 1.00 0.00 C ATOM 473 C GLY A 31 -13.578 -7.017 -1.339 1.00 0.00 C ATOM 474 O GLY A 31 -13.643 -6.217 -0.426 1.00 0.00 O ATOM 0 H GLY A 31 -11.939 -7.899 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.586 -9.155 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.242 -8.328 -0.258 1.00 0.00 H new ATOM 478 N CYS A 32 -14.129 -6.770 -2.504 1.00 0.00 N ATOM 479 CA CYS A 32 -14.855 -5.482 -2.742 1.00 0.00 C ATOM 480 C CYS A 32 -15.637 -5.546 -4.065 1.00 0.00 C ATOM 481 O CYS A 32 -15.136 -5.141 -5.099 1.00 0.00 O ATOM 482 CB CYS A 32 -13.765 -4.405 -2.814 1.00 0.00 C ATOM 483 SG CYS A 32 -14.538 -2.768 -2.825 1.00 0.00 S ATOM 0 H CYS A 32 -14.107 -7.406 -3.301 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.578 -5.272 -1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -13.092 -4.496 -1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -13.163 -4.541 -3.712 1.00 0.00 H new ATOM 488 N PRO A 33 -16.845 -6.056 -3.988 1.00 0.00 N ATOM 489 CA PRO A 33 -17.706 -6.171 -5.199 1.00 0.00 C ATOM 490 C PRO A 33 -18.117 -4.781 -5.709 1.00 0.00 C ATOM 491 O PRO A 33 -18.412 -3.887 -4.936 1.00 0.00 O ATOM 492 CB PRO A 33 -18.917 -6.961 -4.702 1.00 0.00 C ATOM 493 CG PRO A 33 -18.954 -6.714 -3.229 1.00 0.00 C ATOM 494 CD PRO A 33 -17.522 -6.569 -2.789 1.00 0.00 C ATOM 0 HA PRO A 33 -17.205 -6.655 -6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.835 -6.623 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.814 -8.023 -4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.524 -5.814 -3.000 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.439 -7.540 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.428 -5.880 -1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -17.102 -7.522 -2.468 1.00 0.00 H new ATOM 502 N VAL A 34 -18.130 -4.598 -7.010 1.00 0.00 N ATOM 503 CA VAL A 34 -18.512 -3.268 -7.596 1.00 0.00 C ATOM 504 C VAL A 34 -19.945 -2.878 -7.188 1.00 0.00 C ATOM 505 O VAL A 34 -20.258 -1.710 -7.046 1.00 0.00 O ATOM 506 CB VAL A 34 -18.412 -3.459 -9.118 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.898 -2.197 -9.842 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.955 -3.724 -9.506 1.00 0.00 C ATOM 0 H VAL A 34 -17.892 -5.315 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.864 -2.467 -7.241 1.00 0.00 H new ATOM 0 HB VAL A 34 -19.035 -4.305 -9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.823 -2.344 -10.919 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.936 -2.001 -9.574 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.281 -1.348 -9.547 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.885 -3.859 -10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.339 -2.877 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.603 -4.625 -9.004 1.00 0.00 H new ATOM 518 N SER A 35 -20.815 -3.844 -7.000 1.00 0.00 N ATOM 519 CA SER A 35 -22.226 -3.531 -6.604 1.00 0.00 C ATOM 520 C SER A 35 -22.318 -3.063 -5.137 1.00 0.00 C ATOM 521 O SER A 35 -23.382 -2.694 -4.675 1.00 0.00 O ATOM 522 CB SER A 35 -22.992 -4.843 -6.795 1.00 0.00 C ATOM 523 OG SER A 35 -24.361 -4.558 -7.060 1.00 0.00 O ATOM 0 H SER A 35 -20.608 -4.837 -7.104 1.00 0.00 H new ATOM 0 HA SER A 35 -22.633 -2.717 -7.204 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.561 -5.411 -7.619 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.904 -5.461 -5.902 1.00 0.00 H new ATOM 0 HG SER A 35 -24.852 -5.397 -7.184 1.00 0.00 H new ATOM 529 N CYS A 36 -21.220 -3.079 -4.403 1.00 0.00 N ATOM 530 CA CYS A 36 -21.245 -2.640 -2.966 1.00 0.00 C ATOM 531 C CYS A 36 -22.290 -3.438 -2.166 1.00 0.00 C ATOM 532 O CYS A 36 -22.838 -2.957 -1.190 1.00 0.00 O ATOM 533 CB CYS A 36 -21.601 -1.148 -2.993 1.00 0.00 C ATOM 534 SG CYS A 36 -20.202 -0.192 -3.640 1.00 0.00 S ATOM 0 H CYS A 36 -20.306 -3.379 -4.742 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.285 -2.814 -2.479 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.482 -0.986 -3.615 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.853 -0.807 -1.989 1.00 0.00 H new ATOM 539 N ARG A 37 -22.563 -4.656 -2.570 1.00 0.00 N ATOM 540 CA ARG A 37 -23.560 -5.490 -1.839 1.00 0.00 C ATOM 541 C ARG A 37 -22.921 -6.810 -1.393 1.00 0.00 C ATOM 542 O ARG A 37 -21.891 -7.214 -1.899 1.00 0.00 O ATOM 543 CB ARG A 37 -24.686 -5.745 -2.845 1.00 0.00 C ATOM 544 CG ARG A 37 -25.694 -4.595 -2.781 1.00 0.00 C ATOM 545 CD ARG A 37 -26.674 -4.706 -3.953 1.00 0.00 C ATOM 546 NE ARG A 37 -27.992 -4.287 -3.395 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.423 -3.066 -3.576 1.00 0.00 C ATOM 548 NH1 ARG A 37 -28.902 -2.709 -4.739 1.00 0.00 N ATOM 549 NH2 ARG A 37 -28.374 -2.204 -2.594 1.00 0.00 N ATOM 0 H ARG A 37 -22.135 -5.107 -3.378 1.00 0.00 H new ATOM 0 HA ARG A 37 -23.928 -4.998 -0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.277 -5.829 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.181 -6.690 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -26.236 -4.625 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.173 -3.638 -2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.374 -4.064 -4.781 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.714 -5.725 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 37 -28.558 -4.954 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -28.939 -3.383 -5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -29.239 -1.757 -4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -28.000 -2.484 -1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -28.710 -1.251 -2.734 1.00 0.00 H new ATOM 563 N GLY A 38 -23.523 -7.479 -0.441 1.00 0.00 N ATOM 564 CA GLY A 38 -22.953 -8.770 0.051 1.00 0.00 C ATOM 565 C GLY A 38 -21.681 -8.499 0.865 1.00 0.00 C ATOM 566 O GLY A 38 -20.777 -9.311 0.898 1.00 0.00 O ATOM 0 H GLY A 38 -24.386 -7.186 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.686 -9.291 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.724 -9.422 -0.792 1.00 0.00 H new ATOM 570 N ILE A 39 -21.610 -7.365 1.526 1.00 0.00 N ATOM 571 CA ILE A 39 -20.405 -7.032 2.346 1.00 0.00 C ATOM 572 C ILE A 39 -20.831 -6.324 3.634 1.00 0.00 C ATOM 573 O ILE A 39 -21.913 -5.770 3.721 1.00 0.00 O ATOM 574 CB ILE A 39 -19.545 -6.094 1.482 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.328 -4.810 1.169 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.158 -6.799 0.177 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.534 -3.936 0.196 1.00 0.00 C ATOM 0 H ILE A 39 -22.341 -6.654 1.531 1.00 0.00 H new ATOM 0 HA ILE A 39 -19.852 -7.927 2.629 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.639 -5.834 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.297 -5.061 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.522 -4.259 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.549 -6.130 -0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.589 -7.701 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.060 -7.068 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.097 -3.028 -0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.576 -3.671 0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.362 -4.485 -0.730 1.00 0.00 H new ATOM 589 N SER A 40 -19.986 -6.331 4.629 1.00 0.00 N ATOM 590 CA SER A 40 -20.329 -5.652 5.911 1.00 0.00 C ATOM 591 C SER A 40 -20.072 -4.149 5.787 1.00 0.00 C ATOM 592 O SER A 40 -19.342 -3.709 4.918 1.00 0.00 O ATOM 593 CB SER A 40 -19.393 -6.261 6.957 1.00 0.00 C ATOM 594 OG SER A 40 -19.430 -7.678 6.863 1.00 0.00 O ATOM 0 H SER A 40 -19.070 -6.779 4.609 1.00 0.00 H new ATOM 0 HA SER A 40 -21.377 -5.786 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.375 -5.903 6.801 1.00 0.00 H new ATOM 0 HB3 SER A 40 -19.693 -5.945 7.956 1.00 0.00 H new ATOM 0 HG SER A 40 -18.829 -8.066 7.532 1.00 0.00 H new ATOM 600 N PHE A 41 -20.653 -3.362 6.657 1.00 0.00 N ATOM 601 CA PHE A 41 -20.429 -1.884 6.601 1.00 0.00 C ATOM 602 C PHE A 41 -18.927 -1.592 6.711 1.00 0.00 C ATOM 603 O PHE A 41 -18.383 -0.810 5.955 1.00 0.00 O ATOM 604 CB PHE A 41 -21.183 -1.314 7.807 1.00 0.00 C ATOM 605 CG PHE A 41 -21.183 0.198 7.744 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.026 0.864 6.845 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.340 0.932 8.587 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.026 2.263 6.791 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.340 2.330 8.532 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.182 2.996 7.634 1.00 0.00 C ATOM 0 H PHE A 41 -21.272 -3.678 7.403 1.00 0.00 H new ATOM 0 HA PHE A 41 -20.780 -1.441 5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.207 -1.687 7.816 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -20.714 -1.649 8.732 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.676 0.298 6.194 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.690 0.419 9.280 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.677 2.777 6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -19.690 2.896 9.183 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.181 4.075 7.591 1.00 0.00 H new ATOM 620 N SER A 42 -18.256 -2.234 7.637 1.00 0.00 N ATOM 621 CA SER A 42 -16.785 -2.018 7.790 1.00 0.00 C ATOM 622 C SER A 42 -16.055 -2.496 6.531 1.00 0.00 C ATOM 623 O SER A 42 -15.091 -1.894 6.100 1.00 0.00 O ATOM 624 CB SER A 42 -16.372 -2.858 9.002 1.00 0.00 C ATOM 625 OG SER A 42 -15.195 -2.307 9.582 1.00 0.00 O ATOM 0 H SER A 42 -18.665 -2.899 8.294 1.00 0.00 H new ATOM 0 HA SER A 42 -16.536 -0.966 7.929 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.177 -2.877 9.736 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.192 -3.889 8.699 1.00 0.00 H new ATOM 0 HG SER A 42 -14.931 -2.843 10.359 1.00 0.00 H new ATOM 631 N GLN A 43 -16.520 -3.566 5.933 1.00 0.00 N ATOM 632 CA GLN A 43 -15.869 -4.082 4.690 1.00 0.00 C ATOM 633 C GLN A 43 -16.016 -3.052 3.566 1.00 0.00 C ATOM 634 O GLN A 43 -15.073 -2.757 2.854 1.00 0.00 O ATOM 635 CB GLN A 43 -16.631 -5.369 4.347 1.00 0.00 C ATOM 636 CG GLN A 43 -15.643 -6.482 3.992 1.00 0.00 C ATOM 637 CD GLN A 43 -15.468 -7.411 5.196 1.00 0.00 C ATOM 638 OE1 GLN A 43 -16.116 -8.435 5.288 1.00 0.00 O ATOM 639 NE2 GLN A 43 -14.615 -7.096 6.131 1.00 0.00 N ATOM 0 H GLN A 43 -17.324 -4.105 6.254 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.803 -4.268 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.246 -5.674 5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.306 -5.190 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.007 -7.046 3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.682 -6.053 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.070 -6.237 6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.493 -7.709 6.937 1.00 0.00 H new ATOM 648 N ALA A 44 -17.196 -2.497 3.414 1.00 0.00 N ATOM 649 CA ALA A 44 -17.420 -1.474 2.347 1.00 0.00 C ATOM 650 C ALA A 44 -16.680 -0.179 2.702 1.00 0.00 C ATOM 651 O ALA A 44 -16.140 0.492 1.843 1.00 0.00 O ATOM 652 CB ALA A 44 -18.934 -1.252 2.322 1.00 0.00 C ATOM 0 H ALA A 44 -18.014 -2.710 3.985 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.046 -1.794 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.181 -0.511 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.436 -2.191 2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.266 -0.895 3.297 1.00 0.00 H new ATOM 658 N ARG A 45 -16.638 0.160 3.969 1.00 0.00 N ATOM 659 CA ARG A 45 -15.919 1.396 4.396 1.00 0.00 C ATOM 660 C ARG A 45 -14.411 1.214 4.175 1.00 0.00 C ATOM 661 O ARG A 45 -13.716 2.131 3.780 1.00 0.00 O ATOM 662 CB ARG A 45 -16.231 1.550 5.889 1.00 0.00 C ATOM 663 CG ARG A 45 -15.834 2.955 6.363 1.00 0.00 C ATOM 664 CD ARG A 45 -16.787 3.998 5.770 1.00 0.00 C ATOM 665 NE ARG A 45 -17.966 4.013 6.684 1.00 0.00 N ATOM 666 CZ ARG A 45 -18.175 5.037 7.468 1.00 0.00 C ATOM 667 NH1 ARG A 45 -18.799 6.090 7.010 1.00 0.00 N ATOM 668 NH2 ARG A 45 -17.761 5.006 8.709 1.00 0.00 N ATOM 0 H ARG A 45 -17.073 -0.369 4.725 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.228 2.275 3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.293 1.383 6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.690 0.797 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.863 3.002 7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.810 3.173 6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.315 4.979 5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.079 3.732 4.754 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.610 3.222 6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -19.122 6.111 6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.963 6.891 7.620 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.275 4.182 9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.924 5.805 9.321 1.00 0.00 H new ATOM 682 N SER A 46 -13.912 0.027 4.428 1.00 0.00 N ATOM 683 CA SER A 46 -12.454 -0.244 4.240 1.00 0.00 C ATOM 684 C SER A 46 -12.062 -0.103 2.761 1.00 0.00 C ATOM 685 O SER A 46 -11.046 0.483 2.440 1.00 0.00 O ATOM 686 CB SER A 46 -12.255 -1.686 4.714 1.00 0.00 C ATOM 687 OG SER A 46 -10.959 -2.137 4.340 1.00 0.00 O ATOM 0 H SER A 46 -14.457 -0.769 4.759 1.00 0.00 H new ATOM 0 HA SER A 46 -11.833 0.460 4.795 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.373 -1.743 5.796 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.016 -2.332 4.276 1.00 0.00 H new ATOM 0 HG SER A 46 -10.833 -3.060 4.646 1.00 0.00 H new ATOM 693 N CYS A 47 -12.856 -0.640 1.863 1.00 0.00 N ATOM 694 CA CYS A 47 -12.523 -0.542 0.404 1.00 0.00 C ATOM 695 C CYS A 47 -12.561 0.916 -0.070 1.00 0.00 C ATOM 696 O CYS A 47 -11.849 1.294 -0.979 1.00 0.00 O ATOM 697 CB CYS A 47 -13.595 -1.355 -0.320 1.00 0.00 C ATOM 698 SG CYS A 47 -13.124 -1.549 -2.056 1.00 0.00 S ATOM 0 H CYS A 47 -13.718 -1.141 2.077 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.519 -0.916 0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.707 -2.332 0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.560 -0.854 -0.247 1.00 0.00 H new ATOM 703 N CYS A 48 -13.385 1.734 0.530 1.00 0.00 N ATOM 704 CA CYS A 48 -13.456 3.164 0.099 1.00 0.00 C ATOM 705 C CYS A 48 -12.178 3.912 0.501 1.00 0.00 C ATOM 706 O CYS A 48 -11.644 4.693 -0.261 1.00 0.00 O ATOM 707 CB CYS A 48 -14.662 3.748 0.833 1.00 0.00 C ATOM 708 SG CYS A 48 -14.801 5.517 0.467 1.00 0.00 S ATOM 0 H CYS A 48 -14.009 1.478 1.295 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.552 3.255 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.571 3.231 0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.555 3.596 1.907 1.00 0.00 H new ATOM 713 N SER A 49 -11.695 3.693 1.700 1.00 0.00 N ATOM 714 CA SER A 49 -10.465 4.411 2.158 1.00 0.00 C ATOM 715 C SER A 49 -9.181 3.740 1.644 1.00 0.00 C ATOM 716 O SER A 49 -8.138 4.363 1.592 1.00 0.00 O ATOM 717 CB SER A 49 -10.523 4.358 3.686 1.00 0.00 C ATOM 718 OG SER A 49 -10.384 5.673 4.207 1.00 0.00 O ATOM 0 H SER A 49 -12.099 3.049 2.380 1.00 0.00 H new ATOM 0 HA SER A 49 -10.438 5.431 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.469 3.924 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.729 3.717 4.070 1.00 0.00 H new ATOM 0 HG SER A 49 -10.422 5.643 5.186 1.00 0.00 H new ATOM 724 N ARG A 50 -9.237 2.485 1.274 1.00 0.00 N ATOM 725 CA ARG A 50 -8.001 1.798 0.779 1.00 0.00 C ATOM 726 C ARG A 50 -8.029 1.606 -0.747 1.00 0.00 C ATOM 727 O ARG A 50 -7.001 1.389 -1.360 1.00 0.00 O ATOM 728 CB ARG A 50 -7.988 0.440 1.490 1.00 0.00 C ATOM 729 CG ARG A 50 -6.943 0.450 2.613 1.00 0.00 C ATOM 730 CD ARG A 50 -7.298 1.521 3.653 1.00 0.00 C ATOM 731 NE ARG A 50 -8.452 0.963 4.418 1.00 0.00 N ATOM 732 CZ ARG A 50 -8.246 0.185 5.452 1.00 0.00 C ATOM 733 NH1 ARG A 50 -7.428 0.558 6.405 1.00 0.00 N ATOM 734 NH2 ARG A 50 -8.861 -0.964 5.535 1.00 0.00 N ATOM 0 H ARG A 50 -10.078 1.908 1.292 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.109 2.388 0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.974 0.225 1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.761 -0.352 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.899 -0.530 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.954 0.648 2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.453 1.726 4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.564 2.463 3.172 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.406 1.188 4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.949 1.457 6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.270 -0.050 7.209 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.501 -1.255 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.702 -1.571 6.339 1.00 0.00 H new ATOM 748 N LEU A 51 -9.186 1.665 -1.363 1.00 0.00 N ATOM 749 CA LEU A 51 -9.253 1.464 -2.846 1.00 0.00 C ATOM 750 C LEU A 51 -10.124 2.524 -3.544 1.00 0.00 C ATOM 751 O LEU A 51 -10.192 2.560 -4.759 1.00 0.00 O ATOM 752 CB LEU A 51 -9.871 0.074 -3.018 1.00 0.00 C ATOM 753 CG LEU A 51 -8.811 -0.893 -3.548 1.00 0.00 C ATOM 754 CD1 LEU A 51 -9.086 -2.300 -3.011 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.860 -0.914 -5.078 1.00 0.00 C ATOM 0 H LEU A 51 -10.081 1.842 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.266 1.555 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.260 -0.283 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.713 0.122 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.825 -0.565 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.330 -2.988 -3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.052 -2.287 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.072 -2.628 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.105 -1.603 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.847 -1.241 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.663 0.087 -5.462 1.00 0.00 H new ATOM 767 N GLY A 52 -10.796 3.377 -2.806 1.00 0.00 N ATOM 768 CA GLY A 52 -11.660 4.411 -3.456 1.00 0.00 C ATOM 769 C GLY A 52 -12.893 3.743 -4.083 1.00 0.00 C ATOM 770 O GLY A 52 -13.469 4.256 -5.024 1.00 0.00 O ATOM 0 H GLY A 52 -10.783 3.401 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.972 5.152 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.094 4.941 -4.222 1.00 0.00 H new ATOM 774 N ARG A 53 -13.305 2.604 -3.570 1.00 0.00 N ATOM 775 CA ARG A 53 -14.500 1.907 -4.138 1.00 0.00 C ATOM 776 C ARG A 53 -15.575 1.727 -3.063 1.00 0.00 C ATOM 777 O ARG A 53 -15.279 1.595 -1.891 1.00 0.00 O ATOM 778 CB ARG A 53 -13.992 0.541 -4.611 1.00 0.00 C ATOM 779 CG ARG A 53 -13.542 0.628 -6.076 1.00 0.00 C ATOM 780 CD ARG A 53 -14.741 0.949 -6.981 1.00 0.00 C ATOM 781 NE ARG A 53 -15.615 -0.260 -6.934 1.00 0.00 N ATOM 782 CZ ARG A 53 -16.888 -0.155 -7.209 1.00 0.00 C ATOM 783 NH1 ARG A 53 -17.275 0.074 -8.438 1.00 0.00 N ATOM 784 NH2 ARG A 53 -17.773 -0.276 -6.256 1.00 0.00 N ATOM 0 H ARG A 53 -12.863 2.130 -2.783 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.950 2.477 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.161 0.216 -3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.780 -0.205 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.779 1.398 -6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.089 -0.315 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.274 1.832 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.417 1.159 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.219 -1.167 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.583 0.170 -9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.269 0.156 -8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.470 -0.452 -5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.767 -0.194 -6.470 1.00 0.00 H new ATOM 798 N CYS A 54 -16.822 1.740 -3.468 1.00 0.00 N ATOM 799 CA CYS A 54 -17.956 1.590 -2.498 1.00 0.00 C ATOM 800 C CYS A 54 -17.881 2.721 -1.473 1.00 0.00 C ATOM 801 O CYS A 54 -17.953 2.512 -0.277 1.00 0.00 O ATOM 802 CB CYS A 54 -17.780 0.217 -1.832 1.00 0.00 C ATOM 803 SG CYS A 54 -18.561 -1.070 -2.847 1.00 0.00 S ATOM 0 H CYS A 54 -17.107 1.849 -4.441 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.931 1.647 -2.983 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.720 -0.002 -1.705 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.225 0.227 -0.837 1.00 0.00 H new ATOM 808 N CYS A 55 -17.722 3.921 -1.958 1.00 0.00 N ATOM 809 CA CYS A 55 -17.617 5.104 -1.061 1.00 0.00 C ATOM 810 C CYS A 55 -18.996 5.738 -0.805 1.00 0.00 C ATOM 811 O CYS A 55 -19.126 6.640 0.001 1.00 0.00 O ATOM 812 CB CYS A 55 -16.703 6.067 -1.820 1.00 0.00 C ATOM 813 SG CYS A 55 -14.974 5.604 -1.544 1.00 0.00 S ATOM 0 H CYS A 55 -17.660 4.134 -2.954 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.228 4.844 -0.077 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -16.932 6.039 -2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.875 7.089 -1.484 1.00 0.00 H new ATOM 818 N HIS A 56 -20.026 5.272 -1.476 1.00 0.00 N ATOM 819 CA HIS A 56 -21.388 5.843 -1.264 1.00 0.00 C ATOM 820 C HIS A 56 -22.348 4.742 -0.788 1.00 0.00 C ATOM 821 O HIS A 56 -23.459 4.619 -1.271 1.00 0.00 O ATOM 822 CB HIS A 56 -21.805 6.379 -2.638 1.00 0.00 C ATOM 823 CG HIS A 56 -22.712 7.572 -2.475 1.00 0.00 C ATOM 824 ND1 HIS A 56 -23.449 7.797 -1.320 1.00 0.00 N ATOM 825 CD2 HIS A 56 -23.012 8.613 -3.317 1.00 0.00 C ATOM 826 CE1 HIS A 56 -24.148 8.932 -1.500 1.00 0.00 C ATOM 827 NE2 HIS A 56 -23.919 9.470 -2.700 1.00 0.00 N ATOM 0 H HIS A 56 -19.977 4.519 -2.162 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.405 6.624 -0.504 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.921 6.660 -3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.316 5.598 -3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -22.606 8.747 -4.309 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -24.814 9.357 -0.763 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -24.322 10.325 -3.083 1.00 0.00 H new ATOM 835 N VAL A 57 -21.920 3.937 0.154 1.00 0.00 N ATOM 836 CA VAL A 57 -22.795 2.834 0.663 1.00 0.00 C ATOM 837 C VAL A 57 -23.664 3.329 1.828 1.00 0.00 C ATOM 838 O VAL A 57 -23.167 3.876 2.796 1.00 0.00 O ATOM 839 CB VAL A 57 -21.834 1.736 1.141 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.632 0.500 1.565 1.00 0.00 C ATOM 841 CG2 VAL A 57 -20.883 1.353 0.005 1.00 0.00 C ATOM 0 H VAL A 57 -21.001 3.996 0.593 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.475 2.471 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.260 2.110 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -21.947 -0.277 1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.310 0.765 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.209 0.131 0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.202 0.574 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.459 0.984 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.309 2.228 -0.299 1.00 0.00 H new ATOM 851 N GLY A 58 -24.956 3.131 1.740 1.00 0.00 N ATOM 852 CA GLY A 58 -25.868 3.574 2.837 1.00 0.00 C ATOM 853 C GLY A 58 -26.359 4.999 2.566 1.00 0.00 C ATOM 854 O GLY A 58 -25.583 5.935 2.527 1.00 0.00 O ATOM 0 H GLY A 58 -25.419 2.679 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.718 2.896 2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.346 3.536 3.793 1.00 0.00 H new ATOM 858 N LYS A 59 -27.646 5.169 2.384 1.00 0.00 N ATOM 859 CA LYS A 59 -28.200 6.531 2.121 1.00 0.00 C ATOM 860 C LYS A 59 -29.434 6.773 2.998 1.00 0.00 C ATOM 861 O LYS A 59 -30.530 6.359 2.672 1.00 0.00 O ATOM 862 CB LYS A 59 -28.578 6.532 0.636 1.00 0.00 C ATOM 863 CG LYS A 59 -27.607 7.429 -0.138 1.00 0.00 C ATOM 864 CD LYS A 59 -27.382 6.855 -1.540 1.00 0.00 C ATOM 865 CE LYS A 59 -26.240 5.833 -1.499 1.00 0.00 C ATOM 866 NZ LYS A 59 -25.647 5.853 -2.867 1.00 0.00 N ATOM 0 H LYS A 59 -28.338 4.420 2.407 1.00 0.00 H new ATOM 0 HA LYS A 59 -27.486 7.321 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -28.545 5.517 0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -29.600 6.890 0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.008 8.440 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -26.658 7.499 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -28.295 6.381 -1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -27.141 7.657 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -25.500 6.100 -0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -26.610 4.840 -1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.769 5.295 -2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -26.322 5.443 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -25.436 6.834 -3.139 1.00 0.00 H new ATOM 880 N GLY A 60 -29.257 7.440 4.113 1.00 0.00 N ATOM 881 CA GLY A 60 -30.411 7.713 5.021 1.00 0.00 C ATOM 882 C GLY A 60 -30.546 6.582 6.049 1.00 0.00 C ATOM 883 O GLY A 60 -29.780 5.635 6.050 1.00 0.00 O ATOM 0 H GLY A 60 -28.361 7.807 4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -30.266 8.665 5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -31.329 7.800 4.440 1.00 0.00 H new ATOM 887 N TYR A 61 -31.517 6.676 6.923 1.00 0.00 N ATOM 888 CA TYR A 61 -31.710 5.612 7.952 1.00 0.00 C ATOM 889 C TYR A 61 -32.315 4.357 7.310 1.00 0.00 C ATOM 890 O TYR A 61 -32.940 4.423 6.269 1.00 0.00 O ATOM 891 CB TYR A 61 -32.676 6.217 8.977 1.00 0.00 C ATOM 892 CG TYR A 61 -32.924 5.221 10.086 1.00 0.00 C ATOM 893 CD1 TYR A 61 -31.934 4.980 11.047 1.00 0.00 C ATOM 894 CD2 TYR A 61 -34.141 4.534 10.147 1.00 0.00 C ATOM 895 CE1 TYR A 61 -32.162 4.052 12.066 1.00 0.00 C ATOM 896 CE2 TYR A 61 -34.369 3.606 11.169 1.00 0.00 C ATOM 897 CZ TYR A 61 -33.380 3.365 12.127 1.00 0.00 C ATOM 898 OH TYR A 61 -33.604 2.448 13.131 1.00 0.00 O ATOM 0 H TYR A 61 -32.185 7.446 6.967 1.00 0.00 H new ATOM 0 HA TYR A 61 -30.770 5.308 8.413 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -32.259 7.137 9.387 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -33.617 6.481 8.494 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -30.995 5.511 11.000 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -34.904 4.720 9.406 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -31.399 3.865 12.807 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -35.309 3.076 11.218 1.00 0.00 H new ATOM 0 HH TYR A 61 -34.499 2.062 13.028 1.00 0.00 H new ATOM 908 N SER A 62 -32.128 3.217 7.926 1.00 0.00 N ATOM 909 CA SER A 62 -32.688 1.949 7.360 1.00 0.00 C ATOM 910 C SER A 62 -34.214 2.035 7.271 1.00 0.00 C ATOM 911 O SER A 62 -34.882 2.384 8.227 1.00 0.00 O ATOM 912 CB SER A 62 -32.275 0.823 8.320 1.00 0.00 C ATOM 913 OG SER A 62 -31.574 1.358 9.442 1.00 0.00 O ATOM 0 H SER A 62 -31.611 3.108 8.798 1.00 0.00 H new ATOM 0 HA SER A 62 -32.311 1.768 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 62 -33.159 0.283 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 62 -31.644 0.104 7.798 1.00 0.00 H new ATOM 0 HG SER A 62 -32.208 1.807 10.040 1.00 0.00 H new ATOM 919 N GLY A 63 -34.765 1.723 6.128 1.00 0.00 N ATOM 920 CA GLY A 63 -36.247 1.787 5.959 1.00 0.00 C ATOM 921 C GLY A 63 -36.645 3.166 5.424 1.00 0.00 C ATOM 922 O GLY A 63 -37.379 3.211 4.450 1.00 0.00 O ATOM 923 OXT GLY A 63 -36.211 4.154 5.997 1.00 0.00 O ATOM 0 H GLY A 63 -34.250 1.425 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -36.578 1.009 5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -36.740 1.600 6.913 1.00 0.00 H new TER 927 GLY A 63