USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 498 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 78:sc= 0.983 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.131 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 91:sc= 0.814 USER MOD Single : A 58 THR OG1 : rot -66:sc= 1.27 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0668 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= -0.0112 (180deg=-0.14) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.180 13.870 20.455 1.00 25.00 N ATOM 2 CA ALA A 1 -1.139 14.411 19.534 1.00 25.00 C ATOM 3 C ALA A 1 0.060 13.473 19.317 1.00 25.00 C ATOM 4 O ALA A 1 1.035 13.435 20.040 1.00 25.00 O ATOM 5 CB ALA A 1 -0.657 15.765 20.095 1.00 25.00 C ATOM 0 H1 ALA A 1 -2.953 14.560 20.549 1.00 25.00 H new ATOM 0 H2 ALA A 1 -2.555 12.980 20.070 1.00 25.00 H new ATOM 0 H3 ALA A 1 -1.759 13.693 21.389 1.00 25.00 H new ATOM 0 HA ALA A 1 -1.600 14.522 18.552 1.00 25.00 H new ATOM 0 HB1 ALA A 1 0.106 16.181 19.437 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -1.499 16.454 20.155 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -0.237 15.618 21.090 1.00 25.00 H new ATOM 10 N TYR A 2 -0.068 12.635 18.282 1.00 25.00 N ATOM 11 CA TYR A 2 0.956 11.646 17.929 1.00 25.00 C ATOM 12 C TYR A 2 1.823 12.142 16.771 1.00 25.00 C ATOM 13 O TYR A 2 1.856 13.337 16.478 1.00 25.00 O ATOM 14 CB TYR A 2 0.271 10.303 17.601 1.00 25.00 C ATOM 15 CG TYR A 2 1.135 9.094 17.919 1.00 25.00 C ATOM 16 CD1 TYR A 2 1.573 8.236 16.892 1.00 25.00 C ATOM 17 CD2 TYR A 2 1.510 8.808 19.247 1.00 25.00 C ATOM 18 CE1 TYR A 2 2.404 7.123 17.193 1.00 25.00 C ATOM 19 CE2 TYR A 2 2.336 7.692 19.550 1.00 25.00 C ATOM 20 CZ TYR A 2 2.779 6.862 18.509 1.00 25.00 C ATOM 21 OH TYR A 2 3.584 5.788 18.780 1.00 25.00 O ATOM 0 H TYR A 2 -0.882 12.623 17.667 1.00 25.00 H new ATOM 0 HA TYR A 2 1.625 11.497 18.777 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -0.661 10.232 18.161 1.00 25.00 H new ATOM 0 HB3 TYR A 2 0.009 10.286 16.543 1.00 25.00 H new ATOM 0 HD1 TYR A 2 1.276 8.425 15.871 1.00 25.00 H new ATOM 0 HD2 TYR A 2 1.164 9.447 20.047 1.00 25.00 H new ATOM 0 HE1 TYR A 2 2.746 6.477 16.398 1.00 25.00 H new ATOM 0 HE2 TYR A 2 2.620 7.485 20.571 1.00 25.00 H new ATOM 0 HH TYR A 2 3.756 5.743 19.744 1.00 25.00 H new ATOM 31 N ARG A 3 2.574 11.237 16.152 1.00 25.00 N ATOM 32 CA ARG A 3 3.456 11.582 15.038 1.00 25.00 C ATOM 33 C ARG A 3 2.665 12.156 13.858 1.00 25.00 C ATOM 34 O ARG A 3 1.521 11.767 13.637 1.00 25.00 O ATOM 35 CB ARG A 3 4.217 10.343 14.520 1.00 25.00 C ATOM 36 CG ARG A 3 5.157 9.668 15.551 1.00 25.00 C ATOM 37 CD ARG A 3 6.396 10.533 15.766 1.00 25.00 C ATOM 38 NE ARG A 3 7.337 9.907 16.706 1.00 25.00 N ATOM 39 CZ ARG A 3 8.563 10.346 16.982 1.00 25.00 C ATOM 40 NH1 ARG A 3 9.069 11.420 16.416 1.00 25.00 N ATOM 41 NH2 ARG A 3 9.284 9.701 17.853 1.00 25.00 N ATOM 0 H ARG A 3 2.590 10.249 16.405 1.00 25.00 H new ATOM 0 HA ARG A 3 4.156 12.324 15.422 1.00 25.00 H new ATOM 0 HB2 ARG A 3 3.490 9.606 14.178 1.00 25.00 H new ATOM 0 HB3 ARG A 3 4.807 10.636 13.651 1.00 25.00 H new ATOM 0 HG2 ARG A 3 4.633 9.526 16.496 1.00 25.00 H new ATOM 0 HG3 ARG A 3 5.450 8.679 15.197 1.00 25.00 H new ATOM 0 HD2 ARG A 3 6.893 10.701 14.811 1.00 25.00 H new ATOM 0 HD3 ARG A 3 6.097 11.510 16.146 1.00 25.00 H new ATOM 0 HE ARG A 3 7.024 9.064 17.188 1.00 25.00 H new ATOM 0 HH11 ARG A 3 8.518 11.948 15.740 1.00 25.00 H new ATOM 0 HH12 ARG A 3 10.013 11.725 16.654 1.00 25.00 H new ATOM 0 HH21 ARG A 3 8.908 8.872 18.313 1.00 25.00 H new ATOM 0 HH22 ARG A 3 10.225 10.025 18.076 1.00 25.00 H new ATOM 55 N PRO A 4 3.264 13.081 13.089 1.00 25.00 N ATOM 56 CA PRO A 4 2.538 13.674 11.963 1.00 25.00 C ATOM 57 C PRO A 4 2.424 12.761 10.753 1.00 25.00 C ATOM 58 O PRO A 4 3.282 11.913 10.508 1.00 25.00 O ATOM 59 CB PRO A 4 3.382 14.903 11.638 1.00 25.00 C ATOM 60 CG PRO A 4 4.778 14.500 11.980 1.00 25.00 C ATOM 61 CD PRO A 4 4.617 13.653 13.227 1.00 25.00 C ATOM 0 HA PRO A 4 1.500 13.887 12.219 1.00 25.00 H new ATOM 0 HB2 PRO A 4 3.295 15.178 10.587 1.00 25.00 H new ATOM 0 HB3 PRO A 4 3.065 15.768 12.221 1.00 25.00 H new ATOM 0 HG2 PRO A 4 5.241 13.936 11.170 1.00 25.00 H new ATOM 0 HG3 PRO A 4 5.411 15.368 12.165 1.00 25.00 H new ATOM 0 HD2 PRO A 4 5.377 12.874 13.283 1.00 25.00 H new ATOM 0 HD3 PRO A 4 4.708 14.253 14.133 1.00 25.00 H new ATOM 69 N SER A 5 1.362 12.980 9.982 1.00 25.00 N ATOM 70 CA SER A 5 1.015 12.175 8.811 1.00 25.00 C ATOM 71 C SER A 5 1.787 12.585 7.544 1.00 25.00 C ATOM 72 O SER A 5 1.208 12.772 6.499 1.00 25.00 O ATOM 73 CB SER A 5 -0.498 12.344 8.565 1.00 25.00 C ATOM 74 OG SER A 5 -0.839 13.718 8.644 1.00 25.00 O ATOM 0 H SER A 5 0.703 13.739 10.157 1.00 25.00 H new ATOM 0 HA SER A 5 1.286 11.139 9.015 1.00 25.00 H new ATOM 0 HB2 SER A 5 -0.764 11.948 7.585 1.00 25.00 H new ATOM 0 HB3 SER A 5 -1.063 11.775 9.303 1.00 25.00 H new ATOM 0 HG SER A 5 -1.800 13.826 8.486 1.00 25.00 H new ATOM 80 N GLU A 6 3.098 12.767 7.667 1.00 25.00 N ATOM 81 CA GLU A 6 3.935 13.207 6.547 1.00 25.00 C ATOM 82 C GLU A 6 4.222 12.082 5.565 1.00 25.00 C ATOM 83 O GLU A 6 3.982 12.223 4.370 1.00 25.00 O ATOM 84 CB GLU A 6 5.268 13.737 7.060 1.00 25.00 C ATOM 85 CG GLU A 6 5.139 15.014 7.869 1.00 25.00 C ATOM 86 CD GLU A 6 4.581 16.154 7.053 1.00 25.00 C ATOM 87 OE1 GLU A 6 5.003 16.482 5.982 1.00 25.00 O ATOM 88 OE2 GLU A 6 3.592 16.755 7.625 1.00 25.00 O ATOM 0 H GLU A 6 3.610 12.616 8.536 1.00 25.00 H new ATOM 0 HA GLU A 6 3.378 13.990 6.032 1.00 25.00 H new ATOM 0 HB2 GLU A 6 5.742 12.972 7.676 1.00 25.00 H new ATOM 0 HB3 GLU A 6 5.929 13.918 6.212 1.00 25.00 H new ATOM 0 HG2 GLU A 6 4.492 14.834 8.728 1.00 25.00 H new ATOM 0 HG3 GLU A 6 6.117 15.294 8.260 1.00 25.00 H new ATOM 96 N THR A 7 4.803 10.999 6.051 1.00 25.00 N ATOM 97 CA THR A 7 5.213 9.878 5.196 1.00 25.00 C ATOM 98 C THR A 7 4.952 8.564 5.908 1.00 25.00 C ATOM 99 O THR A 7 4.706 8.536 7.124 1.00 25.00 O ATOM 100 CB THR A 7 6.755 9.936 4.871 1.00 25.00 C ATOM 101 OG1 THR A 7 7.510 10.162 6.074 1.00 25.00 O ATOM 102 CG2 THR A 7 7.072 11.060 3.910 1.00 25.00 C ATOM 0 H THR A 7 5.007 10.864 7.041 1.00 25.00 H new ATOM 0 HA THR A 7 4.638 9.950 4.273 1.00 25.00 H new ATOM 0 HB THR A 7 7.024 8.981 4.421 1.00 25.00 H new ATOM 0 HG1 THR A 7 8.466 10.194 5.859 1.00 25.00 H new ATOM 0 HG21 THR A 7 8.143 11.073 3.706 1.00 25.00 H new ATOM 0 HG22 THR A 7 6.527 10.907 2.979 1.00 25.00 H new ATOM 0 HG23 THR A 7 6.775 12.011 4.352 1.00 25.00 H new ATOM 110 N LEU A 8 4.948 7.478 5.146 1.00 25.00 N ATOM 111 CA LEU A 8 4.634 6.157 5.647 1.00 25.00 C ATOM 112 C LEU A 8 5.731 5.185 5.242 1.00 25.00 C ATOM 113 O LEU A 8 5.980 4.979 4.057 1.00 25.00 O ATOM 114 CB LEU A 8 3.303 5.722 5.045 1.00 25.00 C ATOM 115 CG LEU A 8 2.652 4.445 5.588 1.00 25.00 C ATOM 116 CD1 LEU A 8 2.252 4.578 7.029 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.422 4.169 4.740 1.00 25.00 C ATOM 0 H LEU A 8 5.166 7.496 4.150 1.00 25.00 H new ATOM 0 HA LEU A 8 4.564 6.170 6.735 1.00 25.00 H new ATOM 0 HB2 LEU A 8 2.594 6.540 5.175 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.448 5.593 3.972 1.00 25.00 H new ATOM 0 HG LEU A 8 3.371 3.628 5.536 1.00 25.00 H new ATOM 0 HD11 LEU A 8 1.796 3.648 7.367 1.00 25.00 H new ATOM 0 HD12 LEU A 8 3.134 4.790 7.633 1.00 25.00 H new ATOM 0 HD13 LEU A 8 1.536 5.393 7.134 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.930 3.264 5.097 1.00 25.00 H new ATOM 0 HD22 LEU A 8 0.733 5.010 4.814 1.00 25.00 H new ATOM 0 HD23 LEU A 8 1.720 4.034 3.700 1.00 25.00 H new ATOM 129 N CYS A 9 6.439 4.657 6.222 1.00 25.00 N ATOM 130 CA CYS A 9 7.614 3.823 5.963 1.00 25.00 C ATOM 131 C CYS A 9 7.596 2.540 6.807 1.00 25.00 C ATOM 132 O CYS A 9 6.863 2.435 7.799 1.00 25.00 O ATOM 133 CB CYS A 9 8.879 4.617 6.303 1.00 25.00 C ATOM 134 SG CYS A 9 8.972 6.286 5.571 1.00 25.00 S ATOM 0 H CYS A 9 6.226 4.787 7.211 1.00 25.00 H new ATOM 0 HA CYS A 9 7.601 3.542 4.910 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.950 4.709 7.387 1.00 25.00 H new ATOM 0 HB3 CYS A 9 9.747 4.045 5.974 1.00 25.00 H new ATOM 139 N GLY A 10 8.453 1.597 6.446 1.00 25.00 N ATOM 140 CA GLY A 10 8.655 0.405 7.249 1.00 25.00 C ATOM 141 C GLY A 10 7.437 -0.487 7.383 1.00 25.00 C ATOM 142 O GLY A 10 6.641 -0.650 6.452 1.00 25.00 O ATOM 0 H GLY A 10 9.020 1.636 5.599 1.00 25.00 H new ATOM 0 HA2 GLY A 10 9.467 -0.176 6.812 1.00 25.00 H new ATOM 0 HA3 GLY A 10 8.978 0.706 8.245 1.00 25.00 H new ATOM 146 N GLY A 11 7.294 -1.068 8.562 1.00 25.00 N ATOM 147 CA GLY A 11 6.181 -1.958 8.833 1.00 25.00 C ATOM 148 C GLY A 11 4.831 -1.258 8.832 1.00 25.00 C ATOM 149 O GLY A 11 3.825 -1.891 8.607 1.00 25.00 O ATOM 0 H GLY A 11 7.935 -0.939 9.345 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.170 -2.752 8.086 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.334 -2.434 9.802 1.00 25.00 H new ATOM 153 N GLU A 12 4.804 0.042 9.059 1.00 25.00 N ATOM 154 CA GLU A 12 3.516 0.753 9.094 1.00 25.00 C ATOM 155 C GLU A 12 2.930 0.808 7.689 1.00 25.00 C ATOM 156 O GLU A 12 1.719 0.844 7.516 1.00 25.00 O ATOM 157 CB GLU A 12 3.661 2.177 9.633 1.00 25.00 C ATOM 158 CG GLU A 12 3.969 2.256 11.131 1.00 25.00 C ATOM 159 CD GLU A 12 3.862 3.666 11.660 1.00 25.00 C ATOM 160 OE1 GLU A 12 3.609 3.931 12.802 1.00 25.00 O ATOM 161 OE2 GLU A 12 4.116 4.561 10.779 1.00 25.00 O ATOM 0 H GLU A 12 5.627 0.623 9.219 1.00 25.00 H new ATOM 0 HA GLU A 12 2.854 0.206 9.765 1.00 25.00 H new ATOM 0 HB2 GLU A 12 4.456 2.682 9.084 1.00 25.00 H new ATOM 0 HB3 GLU A 12 2.739 2.724 9.434 1.00 25.00 H new ATOM 0 HG2 GLU A 12 3.280 1.611 11.677 1.00 25.00 H new ATOM 0 HG3 GLU A 12 4.974 1.876 11.314 1.00 25.00 H new ATOM 168 N LEU A 13 3.804 0.804 6.687 1.00 25.00 N ATOM 169 CA LEU A 13 3.358 0.808 5.307 1.00 25.00 C ATOM 170 C LEU A 13 2.671 -0.532 5.039 1.00 25.00 C ATOM 171 O LEU A 13 1.626 -0.602 4.421 1.00 25.00 O ATOM 172 CB LEU A 13 4.549 0.998 4.354 1.00 25.00 C ATOM 173 CG LEU A 13 4.324 1.920 3.147 1.00 25.00 C ATOM 174 CD1 LEU A 13 5.609 1.953 2.318 1.00 25.00 C ATOM 175 CD2 LEU A 13 3.149 1.533 2.289 1.00 25.00 C ATOM 0 H LEU A 13 4.817 0.798 6.808 1.00 25.00 H new ATOM 0 HA LEU A 13 2.666 1.633 5.136 1.00 25.00 H new ATOM 0 HB2 LEU A 13 5.387 1.390 4.930 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.848 0.018 3.983 1.00 25.00 H new ATOM 0 HG LEU A 13 4.080 2.910 3.533 1.00 25.00 H new ATOM 0 HD11 LEU A 13 5.469 2.604 1.455 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.427 2.333 2.930 1.00 25.00 H new ATOM 0 HD13 LEU A 13 5.848 0.946 1.978 1.00 25.00 H new ATOM 0 HD21 LEU A 13 3.058 2.233 1.459 1.00 25.00 H new ATOM 0 HD22 LEU A 13 3.299 0.526 1.900 1.00 25.00 H new ATOM 0 HD23 LEU A 13 2.238 1.559 2.887 1.00 25.00 H new ATOM 187 N VAL A 14 3.285 -1.586 5.544 1.00 25.00 N ATOM 188 CA VAL A 14 2.765 -2.952 5.392 1.00 25.00 C ATOM 189 C VAL A 14 1.435 -3.107 6.114 1.00 25.00 C ATOM 190 O VAL A 14 0.509 -3.726 5.584 1.00 25.00 O ATOM 191 CB VAL A 14 3.782 -3.998 5.952 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.224 -5.417 5.861 1.00 25.00 C ATOM 193 CG2 VAL A 14 5.092 -3.910 5.167 1.00 25.00 C ATOM 0 H VAL A 14 4.156 -1.530 6.071 1.00 25.00 H new ATOM 0 HA VAL A 14 2.617 -3.132 4.327 1.00 25.00 H new ATOM 0 HB VAL A 14 3.962 -3.770 7.003 1.00 25.00 H new ATOM 0 HG11 VAL A 14 3.955 -6.121 6.258 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.303 -5.484 6.441 1.00 25.00 H new ATOM 0 HG13 VAL A 14 3.015 -5.660 4.819 1.00 25.00 H new ATOM 0 HG21 VAL A 14 5.801 -4.640 5.558 1.00 25.00 H new ATOM 0 HG22 VAL A 14 4.900 -4.119 4.115 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.510 -2.908 5.268 1.00 25.00 H new ATOM 203 N ASP A 15 1.323 -2.529 7.296 1.00 25.00 N ATOM 204 CA ASP A 15 0.084 -2.575 8.089 1.00 25.00 C ATOM 205 C ASP A 15 -1.034 -1.912 7.287 1.00 25.00 C ATOM 206 O ASP A 15 -2.109 -2.465 7.085 1.00 25.00 O ATOM 207 CB ASP A 15 0.324 -1.842 9.420 1.00 25.00 C ATOM 208 CG ASP A 15 -0.793 -2.046 10.423 1.00 25.00 C ATOM 209 OD1 ASP A 15 -0.842 -1.265 11.394 1.00 25.00 O ATOM 210 OD2 ASP A 15 -1.559 -3.020 10.301 1.00 25.00 O ATOM 0 H ASP A 15 2.081 -2.012 7.743 1.00 25.00 H new ATOM 0 HA ASP A 15 -0.206 -3.603 8.306 1.00 25.00 H new ATOM 0 HB2 ASP A 15 1.262 -2.189 9.854 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.438 -0.776 9.225 1.00 25.00 H new ATOM 215 N THR A 16 -0.743 -0.733 6.766 1.00 25.00 N ATOM 216 CA THR A 16 -1.700 0.006 5.929 1.00 25.00 C ATOM 217 C THR A 16 -2.093 -0.800 4.690 1.00 25.00 C ATOM 218 O THR A 16 -3.268 -0.859 4.318 1.00 25.00 O ATOM 219 CB THR A 16 -1.103 1.358 5.502 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.678 2.074 6.667 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.132 2.231 4.778 1.00 25.00 C ATOM 0 H THR A 16 0.149 -0.257 6.903 1.00 25.00 H new ATOM 0 HA THR A 16 -2.597 0.179 6.524 1.00 25.00 H new ATOM 0 HB THR A 16 -0.272 1.150 4.828 1.00 25.00 H new ATOM 0 HG1 THR A 16 0.179 1.715 6.977 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.671 3.177 4.493 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.483 1.715 3.884 1.00 25.00 H new ATOM 0 HG23 THR A 16 -2.976 2.424 5.440 1.00 25.00 H new ATOM 229 N LEU A 17 -1.128 -1.456 4.063 1.00 25.00 N ATOM 230 CA LEU A 17 -1.399 -2.273 2.881 1.00 25.00 C ATOM 231 C LEU A 17 -2.309 -3.464 3.228 1.00 25.00 C ATOM 232 O LEU A 17 -3.204 -3.783 2.442 1.00 25.00 O ATOM 233 CB LEU A 17 -0.088 -2.799 2.291 1.00 25.00 C ATOM 234 CG LEU A 17 0.667 -1.800 1.389 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.154 -2.083 1.382 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.125 -1.817 -0.046 1.00 25.00 C ATOM 0 H LEU A 17 -0.149 -1.441 4.350 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.906 -1.643 2.150 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.569 -3.095 3.109 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.302 -3.698 1.713 1.00 25.00 H new ATOM 0 HG LEU A 17 0.503 -0.807 1.807 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.658 -1.363 0.738 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.545 -1.999 2.396 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.331 -3.091 1.007 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.680 -1.102 -0.653 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.240 -2.816 -0.467 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.931 -1.546 -0.039 1.00 25.00 H new ATOM 248 N GLN A 18 -2.102 -4.103 4.380 1.00 25.00 N ATOM 249 CA GLN A 18 -2.973 -5.204 4.786 1.00 25.00 C ATOM 250 C GLN A 18 -4.385 -4.678 5.042 1.00 25.00 C ATOM 251 O GLN A 18 -5.351 -5.347 4.732 1.00 25.00 O ATOM 252 CB GLN A 18 -2.421 -5.899 6.035 1.00 25.00 C ATOM 253 CG GLN A 18 -1.128 -6.685 5.776 1.00 25.00 C ATOM 254 CD GLN A 18 -0.526 -7.292 7.036 1.00 25.00 C ATOM 255 OE1 GLN A 18 -1.108 -7.259 8.090 1.00 25.00 O ATOM 256 NE2 GLN A 18 0.656 -7.840 6.919 1.00 25.00 N ATOM 0 H GLN A 18 -1.353 -3.882 5.037 1.00 25.00 H new ATOM 0 HA GLN A 18 -3.010 -5.939 3.982 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.234 -5.151 6.805 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.178 -6.578 6.428 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -1.333 -7.481 5.060 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.395 -6.023 5.315 1.00 25.00 H new ATOM 0 HE21 GLN A 18 1.125 -7.853 6.013 1.00 25.00 H new ATOM 0 HE22 GLN A 18 1.109 -8.254 7.734 1.00 25.00 H new ATOM 265 N PHE A 19 -4.513 -3.472 5.583 1.00 25.00 N ATOM 266 CA PHE A 19 -5.845 -2.907 5.811 1.00 25.00 C ATOM 267 C PHE A 19 -6.578 -2.557 4.496 1.00 25.00 C ATOM 268 O PHE A 19 -7.750 -2.884 4.324 1.00 25.00 O ATOM 269 CB PHE A 19 -5.737 -1.638 6.680 1.00 25.00 C ATOM 270 CG PHE A 19 -7.086 -1.059 7.068 1.00 25.00 C ATOM 271 CD1 PHE A 19 -7.831 -1.617 8.126 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.612 0.059 6.374 1.00 25.00 C ATOM 273 CE1 PHE A 19 -9.086 -1.088 8.485 1.00 25.00 C ATOM 274 CE2 PHE A 19 -8.859 0.598 6.718 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.609 0.023 7.773 1.00 25.00 C ATOM 0 H PHE A 19 -3.735 -2.877 5.867 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.428 -3.673 6.322 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -5.176 -1.872 7.585 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -5.167 -0.883 6.139 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -7.434 -2.462 8.669 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -7.044 0.502 5.569 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -9.647 -1.525 9.298 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -9.247 1.450 6.180 1.00 25.00 H new ATOM 0 HZ PHE A 19 -10.575 0.428 8.035 1.00 25.00 H new ATOM 285 N VAL A 20 -5.907 -1.842 3.602 1.00 25.00 N ATOM 286 CA VAL A 20 -6.533 -1.370 2.357 1.00 25.00 C ATOM 287 C VAL A 20 -6.801 -2.528 1.394 1.00 25.00 C ATOM 288 O VAL A 20 -7.857 -2.585 0.766 1.00 25.00 O ATOM 289 CB VAL A 20 -5.623 -0.294 1.664 1.00 25.00 C ATOM 290 CG1 VAL A 20 -6.189 0.127 0.301 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.491 0.955 2.559 1.00 25.00 C ATOM 0 H VAL A 20 -4.929 -1.572 3.709 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.490 -0.917 2.616 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.643 -0.747 1.512 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.534 0.872 -0.150 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -6.252 -0.744 -0.352 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -7.184 0.552 0.436 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.857 1.691 2.065 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.478 1.384 2.733 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -5.044 0.674 3.513 1.00 25.00 H new ATOM 301 N CYS A 21 -5.858 -3.446 1.250 1.00 25.00 N ATOM 302 CA CYS A 21 -6.002 -4.537 0.280 1.00 25.00 C ATOM 303 C CYS A 21 -6.732 -5.725 0.887 1.00 25.00 C ATOM 304 O CYS A 21 -7.228 -6.615 0.183 1.00 25.00 O ATOM 305 CB CYS A 21 -4.619 -4.957 -0.198 1.00 25.00 C ATOM 306 SG CYS A 21 -3.678 -3.541 -0.858 1.00 25.00 S ATOM 0 H CYS A 21 -4.989 -3.464 1.784 1.00 25.00 H new ATOM 0 HA CYS A 21 -6.596 -4.183 -0.562 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -4.069 -5.407 0.629 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.716 -5.721 -0.969 1.00 25.00 H new ATOM 311 N GLY A 22 -6.795 -5.735 2.207 1.00 25.00 N ATOM 312 CA GLY A 22 -7.421 -6.817 2.919 1.00 25.00 C ATOM 313 C GLY A 22 -6.523 -8.039 2.840 1.00 25.00 C ATOM 314 O GLY A 22 -5.360 -7.991 2.424 1.00 25.00 O ATOM 0 H GLY A 22 -6.416 -4.999 2.803 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -7.588 -6.538 3.959 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -8.397 -7.038 2.488 1.00 25.00 H new ATOM 318 N ASP A 23 -7.102 -9.168 3.221 1.00 25.00 N ATOM 319 CA ASP A 23 -6.377 -10.447 3.229 1.00 25.00 C ATOM 320 C ASP A 23 -6.096 -10.976 1.822 1.00 25.00 C ATOM 321 O ASP A 23 -5.483 -12.010 1.631 1.00 25.00 O ATOM 322 CB ASP A 23 -7.199 -11.470 4.031 1.00 25.00 C ATOM 323 CG ASP A 23 -6.336 -12.592 4.602 1.00 25.00 C ATOM 324 OD1 ASP A 23 -5.247 -12.297 5.160 1.00 25.00 O ATOM 325 OD2 ASP A 23 -6.786 -13.757 4.571 1.00 25.00 O ATOM 0 H ASP A 23 -8.072 -9.233 3.530 1.00 25.00 H new ATOM 0 HA ASP A 23 -5.405 -10.284 3.694 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -7.713 -10.960 4.846 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -7.968 -11.898 3.388 1.00 25.00 H new ATOM 330 N ARG A 24 -6.530 -10.225 0.809 1.00 25.00 N ATOM 331 CA ARG A 24 -6.277 -10.629 -0.591 1.00 25.00 C ATOM 332 C ARG A 24 -4.824 -10.444 -1.016 1.00 25.00 C ATOM 333 O ARG A 24 -4.430 -10.881 -2.096 1.00 25.00 O ATOM 334 CB ARG A 24 -7.156 -9.808 -1.541 1.00 25.00 C ATOM 335 CG ARG A 24 -8.613 -9.796 -1.142 1.00 25.00 C ATOM 336 CD ARG A 24 -9.482 -9.910 -2.377 1.00 25.00 C ATOM 337 NE ARG A 24 -9.148 -8.894 -3.405 1.00 25.00 N ATOM 338 CZ ARG A 24 -9.743 -8.774 -4.587 1.00 25.00 C ATOM 339 NH1 ARG A 24 -10.739 -9.548 -4.952 1.00 25.00 N ATOM 340 NH2 ARG A 24 -9.332 -7.843 -5.409 1.00 25.00 N ATOM 0 H ARG A 24 -7.047 -9.353 0.917 1.00 25.00 H new ATOM 0 HA ARG A 24 -6.515 -11.691 -0.646 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -6.786 -8.783 -1.573 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -7.065 -10.211 -2.550 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -8.821 -10.622 -0.462 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -8.845 -8.876 -0.606 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -9.369 -10.906 -2.806 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -10.528 -9.802 -2.092 1.00 25.00 H new ATOM 0 HE ARG A 24 -8.401 -8.234 -3.187 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -11.081 -10.271 -4.320 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -11.171 -9.426 -5.868 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -8.567 -7.225 -5.138 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -9.776 -7.735 -6.321 1.00 25.00 H new ATOM 354 N GLY A 25 -4.048 -9.771 -0.180 1.00 25.00 N ATOM 355 CA GLY A 25 -2.638 -9.586 -0.457 1.00 25.00 C ATOM 356 C GLY A 25 -2.345 -8.334 -1.261 1.00 25.00 C ATOM 357 O GLY A 25 -3.245 -7.626 -1.732 1.00 25.00 O ATOM 0 H GLY A 25 -4.371 -9.347 0.690 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -2.092 -9.540 0.486 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -2.264 -10.454 -1.000 1.00 25.00 H new ATOM 361 N PHE A 26 -1.063 -8.034 -1.366 1.00 25.00 N ATOM 362 CA PHE A 26 -0.589 -6.820 -2.014 1.00 25.00 C ATOM 363 C PHE A 26 0.826 -7.092 -2.489 1.00 25.00 C ATOM 364 O PHE A 26 1.445 -8.088 -2.094 1.00 25.00 O ATOM 365 CB PHE A 26 -0.579 -5.675 -0.997 1.00 25.00 C ATOM 366 CG PHE A 26 0.318 -5.949 0.183 1.00 25.00 C ATOM 367 CD1 PHE A 26 -0.191 -6.579 1.320 1.00 25.00 C ATOM 368 CD2 PHE A 26 1.682 -5.605 0.151 1.00 25.00 C ATOM 369 CE1 PHE A 26 0.641 -6.869 2.418 1.00 25.00 C ATOM 370 CE2 PHE A 26 2.527 -5.894 1.241 1.00 25.00 C ATOM 371 CZ PHE A 26 2.007 -6.535 2.372 1.00 25.00 C ATOM 0 H PHE A 26 -0.316 -8.627 -1.003 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.232 -6.541 -2.849 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.253 -4.760 -1.491 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.595 -5.501 -0.643 1.00 25.00 H new ATOM 0 HD1 PHE A 26 -1.236 -6.847 1.358 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.087 -5.113 -0.721 1.00 25.00 H new ATOM 0 HE1 PHE A 26 0.231 -7.348 3.295 1.00 25.00 H new ATOM 0 HE2 PHE A 26 3.572 -5.622 1.204 1.00 25.00 H new ATOM 0 HZ PHE A 26 2.652 -6.772 3.205 1.00 25.00 H new ATOM 381 N TYR A 27 1.364 -6.191 -3.291 1.00 25.00 N ATOM 382 CA TYR A 27 2.767 -6.273 -3.695 1.00 25.00 C ATOM 383 C TYR A 27 3.519 -5.129 -3.045 1.00 25.00 C ATOM 384 O TYR A 27 3.017 -4.021 -2.941 1.00 25.00 O ATOM 385 CB TYR A 27 2.908 -6.178 -5.208 1.00 25.00 C ATOM 386 CG TYR A 27 2.225 -7.319 -5.924 1.00 25.00 C ATOM 387 CD1 TYR A 27 0.953 -7.136 -6.538 1.00 25.00 C ATOM 388 CD2 TYR A 27 2.834 -8.584 -6.017 1.00 25.00 C ATOM 389 CE1 TYR A 27 0.317 -8.207 -7.210 1.00 25.00 C ATOM 390 CE2 TYR A 27 2.191 -9.657 -6.693 1.00 25.00 C ATOM 391 CZ TYR A 27 0.936 -9.464 -7.280 1.00 25.00 C ATOM 392 OH TYR A 27 0.308 -10.497 -7.957 1.00 25.00 O ATOM 0 H TYR A 27 0.858 -5.394 -3.677 1.00 25.00 H new ATOM 0 HA TYR A 27 3.174 -7.233 -3.378 1.00 25.00 H new ATOM 0 HB2 TYR A 27 2.486 -5.233 -5.551 1.00 25.00 H new ATOM 0 HB3 TYR A 27 3.966 -6.169 -5.471 1.00 25.00 H new ATOM 0 HD1 TYR A 27 0.469 -6.171 -6.490 1.00 25.00 H new ATOM 0 HD2 TYR A 27 3.804 -8.742 -5.569 1.00 25.00 H new ATOM 0 HE1 TYR A 27 -0.648 -8.056 -7.670 1.00 25.00 H new ATOM 0 HE2 TYR A 27 2.672 -10.622 -6.753 1.00 25.00 H new ATOM 0 HH TYR A 27 0.865 -11.302 -7.915 1.00 25.00 H new ATOM 402 N PHE A 28 4.760 -5.391 -2.631 1.00 25.00 N ATOM 403 CA PHE A 28 5.592 -4.365 -2.000 1.00 25.00 C ATOM 404 C PHE A 28 6.779 -4.070 -2.904 1.00 25.00 C ATOM 405 O PHE A 28 7.244 -4.951 -3.635 1.00 25.00 O ATOM 406 CB PHE A 28 6.100 -4.866 -0.641 1.00 25.00 C ATOM 407 CG PHE A 28 6.520 -3.756 0.284 1.00 25.00 C ATOM 408 CD1 PHE A 28 7.855 -3.312 0.325 1.00 25.00 C ATOM 409 CD2 PHE A 28 5.570 -3.133 1.108 1.00 25.00 C ATOM 410 CE1 PHE A 28 8.237 -2.257 1.191 1.00 25.00 C ATOM 411 CE2 PHE A 28 5.945 -2.074 1.973 1.00 25.00 C ATOM 412 CZ PHE A 28 7.277 -1.641 2.012 1.00 25.00 C ATOM 0 H PHE A 28 5.210 -6.302 -2.721 1.00 25.00 H new ATOM 0 HA PHE A 28 5.003 -3.461 -1.848 1.00 25.00 H new ATOM 0 HB2 PHE A 28 5.316 -5.452 -0.161 1.00 25.00 H new ATOM 0 HB3 PHE A 28 6.945 -5.535 -0.801 1.00 25.00 H new ATOM 0 HD1 PHE A 28 8.594 -3.779 -0.309 1.00 25.00 H new ATOM 0 HD2 PHE A 28 4.542 -3.464 1.083 1.00 25.00 H new ATOM 0 HE1 PHE A 28 9.265 -1.927 1.220 1.00 25.00 H new ATOM 0 HE2 PHE A 28 5.205 -1.601 2.601 1.00 25.00 H new ATOM 0 HZ PHE A 28 7.565 -0.836 2.671 1.00 25.00 H new ATOM 422 N SER A 29 7.272 -2.838 -2.837 1.00 25.00 N ATOM 423 CA SER A 29 8.419 -2.406 -3.635 1.00 25.00 C ATOM 424 C SER A 29 8.111 -2.599 -5.124 1.00 25.00 C ATOM 425 O SER A 29 7.018 -2.249 -5.582 1.00 25.00 O ATOM 426 CB SER A 29 9.696 -3.153 -3.203 1.00 25.00 C ATOM 427 OG SER A 29 10.874 -2.583 -3.760 1.00 25.00 O ATOM 0 H SER A 29 6.891 -2.111 -2.231 1.00 25.00 H new ATOM 0 HA SER A 29 8.602 -1.345 -3.465 1.00 25.00 H new ATOM 0 HB2 SER A 29 9.770 -3.142 -2.116 1.00 25.00 H new ATOM 0 HB3 SER A 29 9.623 -4.197 -3.507 1.00 25.00 H new ATOM 0 HG SER A 29 11.657 -3.089 -3.457 1.00 25.00 H new ATOM 433 N ARG A 30 9.062 -3.106 -5.886 1.00 25.00 N ATOM 434 CA ARG A 30 8.907 -3.292 -7.338 1.00 25.00 C ATOM 435 C ARG A 30 9.450 -4.685 -7.727 1.00 25.00 C ATOM 436 O ARG A 30 10.282 -5.257 -7.010 1.00 25.00 O ATOM 437 CB ARG A 30 9.625 -2.136 -8.084 1.00 25.00 C ATOM 438 CG ARG A 30 11.124 -1.938 -7.761 1.00 25.00 C ATOM 439 CD ARG A 30 12.022 -2.867 -8.554 1.00 25.00 C ATOM 440 NE ARG A 30 13.430 -2.711 -8.190 1.00 25.00 N ATOM 441 CZ ARG A 30 14.415 -3.507 -8.605 1.00 25.00 C ATOM 442 NH1 ARG A 30 14.207 -4.558 -9.353 1.00 25.00 N ATOM 443 NH2 ARG A 30 15.635 -3.233 -8.243 1.00 25.00 N ATOM 0 H ARG A 30 9.969 -3.404 -5.527 1.00 25.00 H new ATOM 0 HA ARG A 30 7.857 -3.257 -7.628 1.00 25.00 H new ATOM 0 HB2 ARG A 30 9.526 -2.307 -9.156 1.00 25.00 H new ATOM 0 HB3 ARG A 30 9.101 -1.207 -7.860 1.00 25.00 H new ATOM 0 HG2 ARG A 30 11.403 -0.905 -7.969 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.287 -2.104 -6.696 1.00 25.00 H new ATOM 0 HD2 ARG A 30 11.716 -3.899 -8.384 1.00 25.00 H new ATOM 0 HD3 ARG A 30 11.899 -2.669 -9.619 1.00 25.00 H new ATOM 0 HE ARG A 30 13.676 -1.936 -7.574 1.00 25.00 H new ATOM 0 HH11 ARG A 30 13.259 -4.798 -9.643 1.00 25.00 H new ATOM 0 HH12 ARG A 30 14.993 -5.138 -9.647 1.00 25.00 H new ATOM 0 HH21 ARG A 30 15.822 -2.422 -7.653 1.00 25.00 H new ATOM 0 HH22 ARG A 30 16.404 -3.829 -8.549 1.00 25.00 H new ATOM 457 N PRO A 31 9.013 -5.237 -8.884 1.00 25.00 N ATOM 458 CA PRO A 31 9.466 -6.575 -9.294 1.00 25.00 C ATOM 459 C PRO A 31 10.929 -6.652 -9.763 1.00 25.00 C ATOM 460 O PRO A 31 11.538 -5.645 -10.133 1.00 25.00 O ATOM 461 CB PRO A 31 8.493 -6.925 -10.426 1.00 25.00 C ATOM 462 CG PRO A 31 8.185 -5.635 -11.040 1.00 25.00 C ATOM 463 CD PRO A 31 8.050 -4.686 -9.865 1.00 25.00 C ATOM 0 HA PRO A 31 9.457 -7.269 -8.454 1.00 25.00 H new ATOM 0 HB2 PRO A 31 8.945 -7.610 -11.143 1.00 25.00 H new ATOM 0 HB3 PRO A 31 7.595 -7.410 -10.044 1.00 25.00 H new ATOM 0 HG2 PRO A 31 8.977 -5.318 -11.719 1.00 25.00 H new ATOM 0 HG3 PRO A 31 7.265 -5.681 -11.623 1.00 25.00 H new ATOM 0 HD2 PRO A 31 8.297 -3.661 -10.143 1.00 25.00 H new ATOM 0 HD3 PRO A 31 7.034 -4.673 -9.471 1.00 25.00 H new ATOM 471 N ALA A 32 11.483 -7.864 -9.755 1.00 25.00 N ATOM 472 CA ALA A 32 12.875 -8.125 -10.146 1.00 25.00 C ATOM 473 C ALA A 32 13.101 -8.092 -11.680 1.00 25.00 C ATOM 474 O ALA A 32 13.407 -9.118 -12.294 1.00 25.00 O ATOM 475 CB ALA A 32 13.327 -9.471 -9.571 1.00 25.00 C ATOM 0 H ALA A 32 10.976 -8.703 -9.475 1.00 25.00 H new ATOM 0 HA ALA A 32 13.478 -7.316 -9.732 1.00 25.00 H new ATOM 0 HB1 ALA A 32 14.360 -9.663 -9.862 1.00 25.00 H new ATOM 0 HB2 ALA A 32 13.255 -9.445 -8.484 1.00 25.00 H new ATOM 0 HB3 ALA A 32 12.688 -10.265 -9.957 1.00 25.00 H new ATOM 481 N SER A 33 12.932 -6.922 -12.279 1.00 25.00 N ATOM 482 CA SER A 33 13.134 -6.758 -13.722 1.00 25.00 C ATOM 483 C SER A 33 14.620 -6.872 -14.078 1.00 25.00 C ATOM 484 O SER A 33 15.462 -6.312 -13.392 1.00 25.00 O ATOM 485 CB SER A 33 12.611 -5.391 -14.161 1.00 25.00 C ATOM 486 OG SER A 33 11.284 -5.215 -13.717 1.00 25.00 O ATOM 0 H SER A 33 12.656 -6.069 -11.793 1.00 25.00 H new ATOM 0 HA SER A 33 12.588 -7.547 -14.239 1.00 25.00 H new ATOM 0 HB2 SER A 33 13.246 -4.603 -13.756 1.00 25.00 H new ATOM 0 HB3 SER A 33 12.653 -5.308 -15.247 1.00 25.00 H new ATOM 0 HG SER A 33 10.958 -4.336 -14.001 1.00 25.00 H new ATOM 492 N ARG A 34 14.913 -7.574 -15.175 1.00 25.00 N ATOM 493 CA ARG A 34 16.290 -7.688 -15.695 1.00 25.00 C ATOM 494 C ARG A 34 16.568 -6.603 -16.719 1.00 25.00 C ATOM 495 O ARG A 34 17.698 -6.178 -16.901 1.00 25.00 O ATOM 496 CB ARG A 34 16.519 -9.034 -16.375 1.00 25.00 C ATOM 497 CG ARG A 34 16.856 -10.190 -15.430 1.00 25.00 C ATOM 498 CD ARG A 34 15.664 -10.712 -14.645 1.00 25.00 C ATOM 499 NE ARG A 34 16.013 -11.981 -13.966 1.00 25.00 N ATOM 500 CZ ARG A 34 15.220 -12.648 -13.135 1.00 25.00 C ATOM 501 NH1 ARG A 34 14.032 -12.216 -12.794 1.00 25.00 N ATOM 502 NH2 ARG A 34 15.633 -13.776 -12.632 1.00 25.00 N ATOM 0 H ARG A 34 14.217 -8.076 -15.726 1.00 25.00 H new ATOM 0 HA ARG A 34 16.958 -7.587 -14.839 1.00 25.00 H new ATOM 0 HB2 ARG A 34 15.624 -9.296 -16.939 1.00 25.00 H new ATOM 0 HB3 ARG A 34 17.330 -8.926 -17.096 1.00 25.00 H new ATOM 0 HG2 ARG A 34 17.283 -11.008 -16.010 1.00 25.00 H new ATOM 0 HG3 ARG A 34 17.624 -9.862 -14.730 1.00 25.00 H new ATOM 0 HD2 ARG A 34 15.352 -9.971 -13.909 1.00 25.00 H new ATOM 0 HD3 ARG A 34 14.819 -10.870 -15.315 1.00 25.00 H new ATOM 0 HE ARG A 34 16.936 -12.374 -14.151 1.00 25.00 H new ATOM 0 HH11 ARG A 34 13.682 -11.335 -13.170 1.00 25.00 H new ATOM 0 HH12 ARG A 34 13.456 -12.761 -12.152 1.00 25.00 H new ATOM 0 HH21 ARG A 34 16.555 -14.137 -12.877 1.00 25.00 H new ATOM 0 HH22 ARG A 34 15.035 -14.299 -11.993 1.00 25.00 H new ATOM 516 N VAL A 35 15.515 -6.162 -17.391 1.00 25.00 N ATOM 517 CA VAL A 35 15.623 -5.154 -18.436 1.00 25.00 C ATOM 518 C VAL A 35 15.474 -3.754 -17.880 1.00 25.00 C ATOM 519 O VAL A 35 14.901 -3.572 -16.791 1.00 25.00 O ATOM 520 CB VAL A 35 14.555 -5.404 -19.543 1.00 25.00 C ATOM 521 CG1 VAL A 35 14.870 -6.695 -20.289 1.00 25.00 C ATOM 522 CG2 VAL A 35 13.127 -5.487 -18.942 1.00 25.00 C ATOM 0 H VAL A 35 14.564 -6.492 -17.228 1.00 25.00 H new ATOM 0 HA VAL A 35 16.619 -5.238 -18.871 1.00 25.00 H new ATOM 0 HB VAL A 35 14.587 -4.562 -20.235 1.00 25.00 H new ATOM 0 HG11 VAL A 35 14.119 -6.862 -21.061 1.00 25.00 H new ATOM 0 HG12 VAL A 35 15.854 -6.617 -20.751 1.00 25.00 H new ATOM 0 HG13 VAL A 35 14.863 -7.531 -19.589 1.00 25.00 H new ATOM 0 HG21 VAL A 35 12.406 -5.662 -19.740 1.00 25.00 H new ATOM 0 HG22 VAL A 35 13.081 -6.307 -18.225 1.00 25.00 H new ATOM 0 HG23 VAL A 35 12.890 -4.550 -18.437 1.00 25.00 H new ATOM 532 N SER A 36 15.965 -2.768 -18.617 1.00 25.00 N ATOM 533 CA SER A 36 15.885 -1.360 -18.221 1.00 25.00 C ATOM 534 C SER A 36 14.482 -0.756 -18.332 1.00 25.00 C ATOM 535 O SER A 36 14.275 0.255 -18.979 1.00 25.00 O ATOM 536 CB SER A 36 16.850 -0.547 -19.081 1.00 25.00 C ATOM 537 OG SER A 36 18.147 -1.102 -18.997 1.00 25.00 O ATOM 0 H SER A 36 16.433 -2.918 -19.511 1.00 25.00 H new ATOM 0 HA SER A 36 16.152 -1.320 -17.165 1.00 25.00 H new ATOM 0 HB2 SER A 36 16.513 -0.542 -20.117 1.00 25.00 H new ATOM 0 HB3 SER A 36 16.865 0.490 -18.746 1.00 25.00 H new ATOM 0 HG SER A 36 18.763 -0.579 -19.551 1.00 25.00 H new ATOM 543 N ARG A 37 13.533 -1.380 -17.653 1.00 25.00 N ATOM 544 CA ARG A 37 12.173 -0.866 -17.552 1.00 25.00 C ATOM 545 C ARG A 37 12.008 -0.505 -16.082 1.00 25.00 C ATOM 546 O ARG A 37 11.441 -1.280 -15.305 1.00 25.00 O ATOM 547 CB ARG A 37 11.137 -1.915 -17.983 1.00 25.00 C ATOM 548 CG ARG A 37 11.263 -2.359 -19.464 1.00 25.00 C ATOM 549 CD ARG A 37 10.590 -1.405 -20.441 1.00 25.00 C ATOM 550 NE ARG A 37 9.119 -1.521 -20.397 1.00 25.00 N ATOM 551 CZ ARG A 37 8.279 -1.100 -21.337 1.00 25.00 C ATOM 552 NH1 ARG A 37 8.691 -0.511 -22.421 1.00 25.00 N ATOM 553 NH2 ARG A 37 6.989 -1.261 -21.170 1.00 25.00 N ATOM 0 H ARG A 37 13.682 -2.258 -17.155 1.00 25.00 H new ATOM 0 HA ARG A 37 12.012 -0.012 -18.210 1.00 25.00 H new ATOM 0 HB2 ARG A 37 11.235 -2.792 -17.343 1.00 25.00 H new ATOM 0 HB3 ARG A 37 10.138 -1.511 -17.820 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.319 -2.445 -19.721 1.00 25.00 H new ATOM 0 HG3 ARG A 37 10.825 -3.351 -19.577 1.00 25.00 H new ATOM 0 HD2 ARG A 37 10.881 -0.381 -20.207 1.00 25.00 H new ATOM 0 HD3 ARG A 37 10.941 -1.613 -21.452 1.00 25.00 H new ATOM 0 HE ARG A 37 8.712 -1.963 -19.573 1.00 25.00 H new ATOM 0 HH11 ARG A 37 9.688 -0.359 -22.571 1.00 25.00 H new ATOM 0 HH12 ARG A 37 8.017 -0.201 -23.121 1.00 25.00 H new ATOM 0 HH21 ARG A 37 6.636 -1.707 -20.323 1.00 25.00 H new ATOM 0 HH22 ARG A 37 6.338 -0.941 -21.887 1.00 25.00 H new ATOM 567 N ARG A 38 12.580 0.633 -15.693 1.00 25.00 N ATOM 568 CA ARG A 38 12.534 1.097 -14.296 1.00 25.00 C ATOM 569 C ARG A 38 11.096 1.167 -13.803 1.00 25.00 C ATOM 570 O ARG A 38 10.297 1.970 -14.260 1.00 25.00 O ATOM 571 CB ARG A 38 13.202 2.484 -14.146 1.00 25.00 C ATOM 572 CG ARG A 38 14.685 2.409 -13.811 1.00 25.00 C ATOM 573 CD ARG A 38 14.911 2.177 -12.307 1.00 25.00 C ATOM 574 NE ARG A 38 16.345 2.002 -11.990 1.00 25.00 N ATOM 575 CZ ARG A 38 17.169 2.947 -11.535 1.00 25.00 C ATOM 576 NH1 ARG A 38 16.772 4.175 -11.296 1.00 25.00 N ATOM 577 NH2 ARG A 38 18.428 2.629 -11.317 1.00 25.00 N ATOM 0 H ARG A 38 13.084 1.257 -16.323 1.00 25.00 H new ATOM 0 HA ARG A 38 13.086 0.378 -13.691 1.00 25.00 H new ATOM 0 HB2 ARG A 38 13.075 3.042 -15.073 1.00 25.00 H new ATOM 0 HB3 ARG A 38 12.689 3.043 -13.364 1.00 25.00 H new ATOM 0 HG2 ARG A 38 15.147 1.601 -14.379 1.00 25.00 H new ATOM 0 HG3 ARG A 38 15.175 3.334 -14.116 1.00 25.00 H new ATOM 0 HD2 ARG A 38 14.515 3.022 -11.745 1.00 25.00 H new ATOM 0 HD3 ARG A 38 14.357 1.294 -11.988 1.00 25.00 H new ATOM 0 HE ARG A 38 16.740 1.073 -12.133 1.00 25.00 H new ATOM 0 HH11 ARG A 38 15.800 4.437 -11.458 1.00 25.00 H new ATOM 0 HH12 ARG A 38 17.436 4.867 -10.948 1.00 25.00 H new ATOM 0 HH21 ARG A 38 18.752 1.679 -11.496 1.00 25.00 H new ATOM 0 HH22 ARG A 38 19.079 3.333 -10.969 1.00 25.00 H new ATOM 591 N SER A 39 10.768 0.285 -12.870 1.00 25.00 N ATOM 592 CA SER A 39 9.441 0.241 -12.295 1.00 25.00 C ATOM 593 C SER A 39 9.497 0.943 -10.940 1.00 25.00 C ATOM 594 O SER A 39 10.478 0.763 -10.209 1.00 25.00 O ATOM 595 CB SER A 39 9.011 -1.217 -12.121 1.00 25.00 C ATOM 596 OG SER A 39 9.119 -1.915 -13.360 1.00 25.00 O ATOM 0 H SER A 39 11.411 -0.413 -12.496 1.00 25.00 H new ATOM 0 HA SER A 39 8.719 0.738 -12.943 1.00 25.00 H new ATOM 0 HB2 SER A 39 9.634 -1.700 -11.368 1.00 25.00 H new ATOM 0 HB3 SER A 39 7.983 -1.260 -11.760 1.00 25.00 H new ATOM 0 HG SER A 39 8.843 -2.847 -13.236 1.00 25.00 H new ATOM 602 N ARG A 40 8.489 1.730 -10.608 1.00 25.00 N ATOM 603 CA ARG A 40 8.417 2.445 -9.323 1.00 25.00 C ATOM 604 C ARG A 40 7.848 1.511 -8.263 1.00 25.00 C ATOM 605 O ARG A 40 7.203 0.523 -8.607 1.00 25.00 O ATOM 606 CB ARG A 40 7.586 3.732 -9.468 1.00 25.00 C ATOM 607 CG ARG A 40 6.062 3.642 -9.195 1.00 25.00 C ATOM 608 CD ARG A 40 5.263 2.800 -10.212 1.00 25.00 C ATOM 609 NE ARG A 40 5.019 3.522 -11.464 1.00 25.00 N ATOM 610 CZ ARG A 40 4.017 4.370 -11.673 1.00 25.00 C ATOM 611 NH1 ARG A 40 3.135 4.670 -10.747 1.00 25.00 N ATOM 612 NH2 ARG A 40 3.917 4.949 -12.842 1.00 25.00 N ATOM 0 H ARG A 40 7.688 1.899 -11.217 1.00 25.00 H new ATOM 0 HA ARG A 40 9.416 2.748 -9.010 1.00 25.00 H new ATOM 0 HB2 ARG A 40 8.004 4.479 -8.793 1.00 25.00 H new ATOM 0 HB3 ARG A 40 7.723 4.107 -10.482 1.00 25.00 H new ATOM 0 HG2 ARG A 40 5.911 3.222 -8.201 1.00 25.00 H new ATOM 0 HG3 ARG A 40 5.651 4.651 -9.180 1.00 25.00 H new ATOM 0 HD2 ARG A 40 5.808 1.880 -10.426 1.00 25.00 H new ATOM 0 HD3 ARG A 40 4.309 2.510 -9.771 1.00 25.00 H new ATOM 0 HE ARG A 40 5.668 3.361 -12.234 1.00 25.00 H new ATOM 0 HH11 ARG A 40 3.203 4.246 -9.822 1.00 25.00 H new ATOM 0 HH12 ARG A 40 2.382 5.327 -10.953 1.00 25.00 H new ATOM 0 HH21 ARG A 40 4.600 4.746 -13.572 1.00 25.00 H new ATOM 0 HH22 ARG A 40 3.156 5.603 -13.024 1.00 25.00 H new ATOM 626 N GLY A 41 8.059 1.808 -6.989 1.00 25.00 N ATOM 627 CA GLY A 41 7.551 0.954 -5.919 1.00 25.00 C ATOM 628 C GLY A 41 6.843 1.761 -4.855 1.00 25.00 C ATOM 629 O GLY A 41 7.060 2.961 -4.739 1.00 25.00 O ATOM 0 H GLY A 41 8.575 2.628 -6.670 1.00 25.00 H new ATOM 0 HA2 GLY A 41 6.864 0.217 -6.335 1.00 25.00 H new ATOM 0 HA3 GLY A 41 8.377 0.402 -5.469 1.00 25.00 H new ATOM 633 N ILE A 42 6.008 1.105 -4.069 1.00 25.00 N ATOM 634 CA ILE A 42 5.188 1.779 -3.053 1.00 25.00 C ATOM 635 C ILE A 42 6.032 2.580 -2.042 1.00 25.00 C ATOM 636 O ILE A 42 5.623 3.637 -1.573 1.00 25.00 O ATOM 637 CB ILE A 42 4.240 0.737 -2.330 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.208 1.443 -1.436 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.028 -0.276 -1.461 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.077 2.122 -2.157 1.00 25.00 C ATOM 0 H ILE A 42 5.873 0.095 -4.109 1.00 25.00 H new ATOM 0 HA ILE A 42 4.567 2.511 -3.569 1.00 25.00 H new ATOM 0 HB ILE A 42 3.732 0.197 -3.129 1.00 25.00 H new ATOM 0 HG12 ILE A 42 2.788 0.709 -0.748 1.00 25.00 H new ATOM 0 HG13 ILE A 42 3.727 2.186 -0.831 1.00 25.00 H new ATOM 0 HG21 ILE A 42 4.332 -0.968 -0.987 1.00 25.00 H new ATOM 0 HG22 ILE A 42 5.722 -0.833 -2.091 1.00 25.00 H new ATOM 0 HG23 ILE A 42 5.586 0.260 -0.693 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.410 2.587 -1.431 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.477 2.886 -2.823 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.523 1.386 -2.740 1.00 25.00 H new ATOM 652 N VAL A 43 7.224 2.095 -1.720 1.00 25.00 N ATOM 653 CA VAL A 43 8.075 2.789 -0.760 1.00 25.00 C ATOM 654 C VAL A 43 8.583 4.124 -1.330 1.00 25.00 C ATOM 655 O VAL A 43 8.847 5.068 -0.587 1.00 25.00 O ATOM 656 CB VAL A 43 9.232 1.873 -0.288 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.284 1.670 -1.376 1.00 25.00 C ATOM 658 CG2 VAL A 43 9.877 2.443 0.967 1.00 25.00 C ATOM 0 H VAL A 43 7.620 1.236 -2.102 1.00 25.00 H new ATOM 0 HA VAL A 43 7.476 3.030 0.118 1.00 25.00 H new ATOM 0 HB VAL A 43 8.803 0.897 -0.062 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.075 1.022 -1.000 1.00 25.00 H new ATOM 0 HG12 VAL A 43 9.821 1.209 -2.249 1.00 25.00 H new ATOM 0 HG13 VAL A 43 10.708 2.634 -1.657 1.00 25.00 H new ATOM 0 HG21 VAL A 43 10.688 1.790 1.288 1.00 25.00 H new ATOM 0 HG22 VAL A 43 10.273 3.436 0.754 1.00 25.00 H new ATOM 0 HG23 VAL A 43 9.132 2.512 1.760 1.00 25.00 H new ATOM 668 N GLU A 44 8.702 4.241 -2.641 1.00 25.00 N ATOM 669 CA GLU A 44 9.182 5.489 -3.241 1.00 25.00 C ATOM 670 C GLU A 44 8.113 6.556 -3.110 1.00 25.00 C ATOM 671 O GLU A 44 8.387 7.709 -2.800 1.00 25.00 O ATOM 672 CB GLU A 44 9.504 5.293 -4.714 1.00 25.00 C ATOM 673 CG GLU A 44 10.838 5.877 -5.122 1.00 25.00 C ATOM 674 CD GLU A 44 11.046 5.813 -6.637 1.00 25.00 C ATOM 675 OE1 GLU A 44 11.419 6.835 -7.266 1.00 25.00 O ATOM 676 OE2 GLU A 44 10.836 4.706 -7.204 1.00 25.00 O ATOM 0 H GLU A 44 8.478 3.503 -3.308 1.00 25.00 H new ATOM 0 HA GLU A 44 10.089 5.795 -2.719 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.498 4.227 -4.940 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.717 5.750 -5.314 1.00 25.00 H new ATOM 0 HG2 GLU A 44 10.898 6.914 -4.790 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.641 5.335 -4.622 1.00 25.00 H new ATOM 683 N GLU A 45 6.883 6.162 -3.366 1.00 25.00 N ATOM 684 CA GLU A 45 5.815 7.141 -3.361 1.00 25.00 C ATOM 685 C GLU A 45 5.289 7.420 -1.954 1.00 25.00 C ATOM 686 O GLU A 45 4.810 8.506 -1.702 1.00 25.00 O ATOM 687 CB GLU A 45 4.704 6.724 -4.334 1.00 25.00 C ATOM 688 CG GLU A 45 5.242 6.510 -5.775 1.00 25.00 C ATOM 689 CD GLU A 45 4.169 6.542 -6.870 1.00 25.00 C ATOM 690 OE1 GLU A 45 3.990 5.518 -7.581 1.00 25.00 O ATOM 691 OE2 GLU A 45 3.558 7.608 -7.066 1.00 25.00 O ATOM 0 H GLU A 45 6.602 5.204 -3.574 1.00 25.00 H new ATOM 0 HA GLU A 45 6.225 8.088 -3.712 1.00 25.00 H new ATOM 0 HB2 GLU A 45 4.239 5.804 -3.980 1.00 25.00 H new ATOM 0 HB3 GLU A 45 3.928 7.489 -4.347 1.00 25.00 H new ATOM 0 HG2 GLU A 45 5.984 7.279 -5.989 1.00 25.00 H new ATOM 0 HG3 GLU A 45 5.757 5.550 -5.817 1.00 25.00 H new ATOM 698 N CYS A 46 5.407 6.463 -1.039 1.00 25.00 N ATOM 699 CA CYS A 46 4.914 6.658 0.341 1.00 25.00 C ATOM 700 C CYS A 46 5.958 7.055 1.400 1.00 25.00 C ATOM 701 O CYS A 46 5.586 7.587 2.437 1.00 25.00 O ATOM 702 CB CYS A 46 4.207 5.397 0.844 1.00 25.00 C ATOM 703 SG CYS A 46 2.590 5.055 0.085 1.00 25.00 S ATOM 0 H CYS A 46 5.832 5.552 -1.214 1.00 25.00 H new ATOM 0 HA CYS A 46 4.242 7.510 0.239 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.859 4.541 0.670 1.00 25.00 H new ATOM 0 HB3 CYS A 46 4.073 5.482 1.922 1.00 25.00 H new ATOM 708 N CYS A 47 7.234 6.773 1.172 1.00 25.00 N ATOM 709 CA CYS A 47 8.267 7.090 2.169 1.00 25.00 C ATOM 710 C CYS A 47 9.228 8.182 1.688 1.00 25.00 C ATOM 711 O CYS A 47 9.579 9.075 2.451 1.00 25.00 O ATOM 712 CB CYS A 47 9.042 5.818 2.540 1.00 25.00 C ATOM 713 SG CYS A 47 10.187 6.036 3.951 1.00 25.00 S ATOM 0 H CYS A 47 7.583 6.332 0.321 1.00 25.00 H new ATOM 0 HA CYS A 47 7.761 7.480 3.052 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.331 5.027 2.780 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.610 5.483 1.672 1.00 25.00 H new ATOM 718 N PHE A 48 9.640 8.119 0.426 1.00 25.00 N ATOM 719 CA PHE A 48 10.492 9.181 -0.149 1.00 25.00 C ATOM 720 C PHE A 48 9.618 10.385 -0.524 1.00 25.00 C ATOM 721 O PHE A 48 10.086 11.516 -0.585 1.00 25.00 O ATOM 722 CB PHE A 48 11.227 8.692 -1.409 1.00 25.00 C ATOM 723 CG PHE A 48 12.358 7.755 -1.126 1.00 25.00 C ATOM 724 CD1 PHE A 48 12.119 6.376 -0.957 1.00 25.00 C ATOM 725 CD2 PHE A 48 13.683 8.235 -1.073 1.00 25.00 C ATOM 726 CE1 PHE A 48 13.181 5.482 -0.753 1.00 25.00 C ATOM 727 CE2 PHE A 48 14.776 7.348 -0.857 1.00 25.00 C ATOM 728 CZ PHE A 48 14.525 5.968 -0.691 1.00 25.00 C ATOM 0 H PHE A 48 9.409 7.362 -0.217 1.00 25.00 H new ATOM 0 HA PHE A 48 11.234 9.460 0.599 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.512 8.195 -2.065 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.611 9.556 -1.952 1.00 25.00 H new ATOM 0 HD1 PHE A 48 11.106 6.003 -0.985 1.00 25.00 H new ATOM 0 HD2 PHE A 48 13.872 9.291 -1.198 1.00 25.00 H new ATOM 0 HE1 PHE A 48 12.984 4.426 -0.643 1.00 25.00 H new ATOM 0 HE2 PHE A 48 15.787 7.727 -0.820 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.343 5.284 -0.518 1.00 25.00 H new ATOM 738 N ARG A 49 8.341 10.114 -0.770 1.00 25.00 N ATOM 739 CA ARG A 49 7.333 11.136 -1.056 1.00 25.00 C ATOM 740 C ARG A 49 6.170 10.797 -0.148 1.00 25.00 C ATOM 741 O ARG A 49 6.213 9.779 0.513 1.00 25.00 O ATOM 742 CB ARG A 49 6.872 11.065 -2.525 1.00 25.00 C ATOM 743 CG ARG A 49 7.728 11.858 -3.515 1.00 25.00 C ATOM 744 CD ARG A 49 6.859 12.324 -4.681 1.00 25.00 C ATOM 745 NE ARG A 49 7.580 13.236 -5.581 1.00 25.00 N ATOM 746 CZ ARG A 49 7.010 14.014 -6.499 1.00 25.00 C ATOM 747 NH1 ARG A 49 5.718 14.022 -6.717 1.00 25.00 N ATOM 748 NH2 ARG A 49 7.760 14.803 -7.213 1.00 25.00 N ATOM 0 H ARG A 49 7.968 9.165 -0.777 1.00 25.00 H new ATOM 0 HA ARG A 49 7.725 12.140 -0.892 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.860 10.020 -2.835 1.00 25.00 H new ATOM 0 HB3 ARG A 49 5.846 11.427 -2.585 1.00 25.00 H new ATOM 0 HG2 ARG A 49 8.177 12.717 -3.017 1.00 25.00 H new ATOM 0 HG3 ARG A 49 8.546 11.238 -3.882 1.00 25.00 H new ATOM 0 HD2 ARG A 49 6.515 11.457 -5.245 1.00 25.00 H new ATOM 0 HD3 ARG A 49 5.972 12.825 -4.293 1.00 25.00 H new ATOM 0 HE ARG A 49 8.596 13.276 -5.496 1.00 25.00 H new ATOM 0 HH11 ARG A 49 5.105 13.415 -6.172 1.00 25.00 H new ATOM 0 HH12 ARG A 49 5.325 14.635 -7.431 1.00 25.00 H new ATOM 0 HH21 ARG A 49 8.769 14.819 -7.065 1.00 25.00 H new ATOM 0 HH22 ARG A 49 7.339 15.405 -7.920 1.00 25.00 H new ATOM 762 N SER A 50 5.135 11.624 -0.132 1.00 25.00 N ATOM 763 CA SER A 50 3.893 11.310 0.578 1.00 25.00 C ATOM 764 C SER A 50 2.959 10.674 -0.449 1.00 25.00 C ATOM 765 O SER A 50 3.088 10.970 -1.640 1.00 25.00 O ATOM 766 CB SER A 50 3.266 12.574 1.175 1.00 25.00 C ATOM 767 OG SER A 50 2.256 12.250 2.121 1.00 25.00 O ATOM 0 H SER A 50 5.127 12.527 -0.606 1.00 25.00 H new ATOM 0 HA SER A 50 4.081 10.633 1.412 1.00 25.00 H new ATOM 0 HB2 SER A 50 4.039 13.174 1.655 1.00 25.00 H new ATOM 0 HB3 SER A 50 2.839 13.183 0.378 1.00 25.00 H new ATOM 0 HG SER A 50 2.653 12.186 3.015 1.00 25.00 H new ATOM 773 N CYS A 51 2.046 9.831 0.000 1.00 25.00 N ATOM 774 CA CYS A 51 1.134 9.125 -0.897 1.00 25.00 C ATOM 775 C CYS A 51 -0.295 9.164 -0.379 1.00 25.00 C ATOM 776 O CYS A 51 -0.531 9.482 0.781 1.00 25.00 O ATOM 777 CB CYS A 51 1.584 7.668 -1.041 1.00 25.00 C ATOM 778 SG CYS A 51 1.501 6.711 0.511 1.00 25.00 S ATOM 0 H CYS A 51 1.912 9.614 0.988 1.00 25.00 H new ATOM 0 HA CYS A 51 1.159 9.623 -1.866 1.00 25.00 H new ATOM 0 HB2 CYS A 51 0.963 7.179 -1.792 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.608 7.650 -1.413 1.00 25.00 H new ATOM 783 N ASP A 52 -1.244 8.811 -1.244 1.00 25.00 N ATOM 784 CA ASP A 52 -2.656 8.837 -0.899 1.00 25.00 C ATOM 785 C ASP A 52 -3.322 7.466 -1.060 1.00 25.00 C ATOM 786 O ASP A 52 -2.788 6.573 -1.723 1.00 25.00 O ATOM 787 CB ASP A 52 -3.383 9.860 -1.777 1.00 25.00 C ATOM 788 CG ASP A 52 -3.338 11.269 -1.196 1.00 25.00 C ATOM 789 OD1 ASP A 52 -3.914 11.451 -0.103 1.00 25.00 O ATOM 790 OD2 ASP A 52 -2.809 12.195 -1.849 1.00 25.00 O ATOM 0 H ASP A 52 -1.053 8.501 -2.197 1.00 25.00 H new ATOM 0 HA ASP A 52 -2.727 9.118 0.152 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -2.933 9.866 -2.770 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.422 9.555 -1.900 1.00 25.00 H new ATOM 795 N LEU A 53 -4.498 7.326 -0.462 1.00 25.00 N ATOM 796 CA LEU A 53 -5.255 6.071 -0.448 1.00 25.00 C ATOM 797 C LEU A 53 -5.481 5.480 -1.834 1.00 25.00 C ATOM 798 O LEU A 53 -5.279 4.284 -2.033 1.00 25.00 O ATOM 799 CB LEU A 53 -6.619 6.320 0.224 1.00 25.00 C ATOM 800 CG LEU A 53 -7.579 5.133 0.359 1.00 25.00 C ATOM 801 CD1 LEU A 53 -6.992 4.021 1.221 1.00 25.00 C ATOM 802 CD2 LEU A 53 -8.890 5.620 0.965 1.00 25.00 C ATOM 0 H LEU A 53 -4.962 8.087 0.034 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.660 5.346 0.108 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -6.433 6.715 1.223 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -7.131 7.102 -0.337 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.751 4.719 -0.635 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -7.705 3.200 1.290 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -6.067 3.661 0.771 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.784 4.406 2.219 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -9.579 4.781 1.064 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.699 6.051 1.948 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -9.331 6.377 0.317 1.00 25.00 H new ATOM 814 N ALA A 54 -5.852 6.304 -2.805 1.00 25.00 N ATOM 815 CA ALA A 54 -6.123 5.824 -4.162 1.00 25.00 C ATOM 816 C ALA A 54 -4.887 5.165 -4.788 1.00 25.00 C ATOM 817 O ALA A 54 -4.975 4.149 -5.471 1.00 25.00 O ATOM 818 CB ALA A 54 -6.573 7.003 -5.042 1.00 25.00 C ATOM 0 H ALA A 54 -5.973 7.309 -2.682 1.00 25.00 H new ATOM 0 HA ALA A 54 -6.911 5.074 -4.102 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -6.775 6.647 -6.052 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -7.479 7.444 -4.625 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -5.785 7.755 -5.073 1.00 25.00 H new ATOM 824 N LEU A 55 -3.724 5.750 -4.553 1.00 25.00 N ATOM 825 CA LEU A 55 -2.472 5.221 -5.072 1.00 25.00 C ATOM 826 C LEU A 55 -2.099 3.916 -4.374 1.00 25.00 C ATOM 827 O LEU A 55 -1.755 2.933 -5.019 1.00 25.00 O ATOM 828 CB LEU A 55 -1.381 6.271 -4.867 1.00 25.00 C ATOM 829 CG LEU A 55 0.076 5.818 -4.959 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.432 5.120 -6.262 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.939 7.037 -4.763 1.00 25.00 C ATOM 0 H LEU A 55 -3.620 6.601 -4.000 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.582 5.002 -6.134 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -1.533 7.059 -5.604 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.530 6.720 -3.885 1.00 25.00 H new ATOM 0 HG LEU A 55 0.245 5.068 -4.186 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.483 4.832 -6.245 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.187 4.230 -6.379 1.00 25.00 H new ATOM 0 HD13 LEU A 55 0.255 5.797 -7.098 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.990 6.752 -4.822 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.717 7.769 -5.540 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.736 7.473 -3.785 1.00 25.00 H new ATOM 843 N LEU A 56 -2.223 3.893 -3.058 1.00 25.00 N ATOM 844 CA LEU A 56 -1.915 2.702 -2.272 1.00 25.00 C ATOM 845 C LEU A 56 -2.780 1.510 -2.700 1.00 25.00 C ATOM 846 O LEU A 56 -2.300 0.381 -2.775 1.00 25.00 O ATOM 847 CB LEU A 56 -2.078 3.035 -0.776 1.00 25.00 C ATOM 848 CG LEU A 56 -1.235 2.143 0.147 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.661 2.972 1.288 1.00 25.00 C ATOM 850 CD2 LEU A 56 -2.056 1.008 0.698 1.00 25.00 C ATOM 0 H LEU A 56 -2.537 4.690 -2.504 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.882 2.403 -2.452 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.802 4.077 -0.612 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -3.129 2.936 -0.503 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.418 1.720 -0.438 1.00 25.00 H new ATOM 0 HD11 LEU A 56 -0.064 2.332 1.938 1.00 25.00 H new ATOM 0 HD12 LEU A 56 -0.032 3.764 0.882 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.475 3.414 1.862 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.435 0.392 1.348 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.894 1.409 1.269 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -2.435 0.401 -0.124 1.00 25.00 H new ATOM 862 N GLU A 57 -4.021 1.799 -3.074 1.00 25.00 N ATOM 863 CA GLU A 57 -4.956 0.790 -3.570 1.00 25.00 C ATOM 864 C GLU A 57 -4.493 0.104 -4.870 1.00 25.00 C ATOM 865 O GLU A 57 -4.892 -1.022 -5.168 1.00 25.00 O ATOM 866 CB GLU A 57 -6.323 1.462 -3.811 1.00 25.00 C ATOM 867 CG GLU A 57 -7.488 0.490 -3.932 1.00 25.00 C ATOM 868 CD GLU A 57 -8.814 1.188 -3.990 1.00 25.00 C ATOM 869 OE1 GLU A 57 -9.128 1.966 -4.855 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.597 0.891 -3.016 1.00 25.00 O ATOM 0 H GLU A 57 -4.410 2.741 -3.043 1.00 25.00 H new ATOM 0 HA GLU A 57 -5.017 0.009 -2.812 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.525 2.152 -2.992 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.266 2.057 -4.722 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -7.360 -0.116 -4.829 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.477 -0.193 -3.082 1.00 25.00 H new ATOM 878 N THR A 58 -3.639 0.756 -5.638 1.00 25.00 N ATOM 879 CA THR A 58 -3.168 0.156 -6.896 1.00 25.00 C ATOM 880 C THR A 58 -2.120 -0.937 -6.683 1.00 25.00 C ATOM 881 O THR A 58 -1.833 -1.733 -7.582 1.00 25.00 O ATOM 882 CB THR A 58 -2.583 1.201 -7.864 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.359 1.738 -7.340 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.575 2.353 -8.068 1.00 25.00 C ATOM 0 H THR A 58 -3.259 1.679 -5.430 1.00 25.00 H new ATOM 0 HA THR A 58 -4.061 -0.289 -7.334 1.00 25.00 H new ATOM 0 HB THR A 58 -2.390 0.707 -8.816 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.547 2.244 -6.522 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.148 3.084 -8.755 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.504 1.964 -8.485 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.779 2.831 -7.110 1.00 25.00 H new ATOM 892 N TYR A 59 -1.541 -1.001 -5.488 1.00 25.00 N ATOM 893 CA TYR A 59 -0.539 -2.012 -5.190 1.00 25.00 C ATOM 894 C TYR A 59 -1.183 -3.283 -4.619 1.00 25.00 C ATOM 895 O TYR A 59 -0.507 -4.274 -4.348 1.00 25.00 O ATOM 896 CB TYR A 59 0.515 -1.459 -4.242 1.00 25.00 C ATOM 897 CG TYR A 59 1.554 -0.643 -4.977 1.00 25.00 C ATOM 898 CD1 TYR A 59 2.741 -1.255 -5.425 1.00 25.00 C ATOM 899 CD2 TYR A 59 1.348 0.721 -5.261 1.00 25.00 C ATOM 900 CE1 TYR A 59 3.714 -0.515 -6.142 1.00 25.00 C ATOM 901 CE2 TYR A 59 2.322 1.468 -5.989 1.00 25.00 C ATOM 902 CZ TYR A 59 3.492 0.840 -6.411 1.00 25.00 C ATOM 903 OH TYR A 59 4.427 1.552 -7.109 1.00 25.00 O ATOM 0 H TYR A 59 -1.748 -0.368 -4.716 1.00 25.00 H new ATOM 0 HA TYR A 59 -0.047 -2.285 -6.124 1.00 25.00 H new ATOM 0 HB2 TYR A 59 0.034 -0.840 -3.485 1.00 25.00 H new ATOM 0 HB3 TYR A 59 1.002 -2.282 -3.719 1.00 25.00 H new ATOM 0 HD1 TYR A 59 2.912 -2.301 -5.219 1.00 25.00 H new ATOM 0 HD2 TYR A 59 0.444 1.207 -4.924 1.00 25.00 H new ATOM 0 HE1 TYR A 59 4.621 -0.994 -6.479 1.00 25.00 H new ATOM 0 HE2 TYR A 59 2.154 2.511 -6.211 1.00 25.00 H new ATOM 0 HH TYR A 59 4.123 2.478 -7.213 1.00 25.00 H new ATOM 913 N CYS A 60 -2.498 -3.275 -4.480 1.00 25.00 N ATOM 914 CA CYS A 60 -3.216 -4.451 -4.008 1.00 25.00 C ATOM 915 C CYS A 60 -3.202 -5.548 -5.077 1.00 25.00 C ATOM 916 O CYS A 60 -3.195 -5.276 -6.271 1.00 25.00 O ATOM 917 CB CYS A 60 -4.667 -4.096 -3.682 1.00 25.00 C ATOM 918 SG CYS A 60 -4.813 -2.842 -2.379 1.00 25.00 S ATOM 0 H CYS A 60 -3.090 -2.471 -4.686 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.718 -4.811 -3.108 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -5.158 -3.733 -4.585 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -5.195 -4.998 -3.372 1.00 25.00 H new ATOM 923 N ALA A 61 -3.177 -6.799 -4.643 1.00 25.00 N ATOM 924 CA ALA A 61 -3.097 -7.902 -5.585 1.00 25.00 C ATOM 925 C ALA A 61 -4.431 -8.122 -6.291 1.00 25.00 C ATOM 926 O ALA A 61 -5.522 -7.880 -5.753 1.00 25.00 O ATOM 927 CB ALA A 61 -2.664 -9.196 -4.855 1.00 25.00 C ATOM 0 H ALA A 61 -3.210 -7.072 -3.661 1.00 25.00 H new ATOM 0 HA ALA A 61 -2.352 -7.648 -6.339 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -2.607 -10.016 -5.571 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.686 -9.046 -4.397 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -3.393 -9.439 -4.082 1.00 25.00 H new ATOM 933 N THR A 62 -4.329 -8.661 -7.491 1.00 25.00 N ATOM 934 CA THR A 62 -5.491 -9.118 -8.257 1.00 25.00 C ATOM 935 C THR A 62 -5.206 -10.602 -8.446 1.00 25.00 C ATOM 936 O THR A 62 -4.055 -10.974 -8.655 1.00 25.00 O ATOM 937 CB THR A 62 -5.639 -8.405 -9.634 1.00 25.00 C ATOM 938 OG1 THR A 62 -4.442 -8.561 -10.406 1.00 25.00 O ATOM 939 CG2 THR A 62 -5.905 -6.925 -9.436 1.00 25.00 C ATOM 0 H THR A 62 -3.439 -8.798 -7.970 1.00 25.00 H new ATOM 0 HA THR A 62 -6.428 -8.901 -7.744 1.00 25.00 H new ATOM 0 HB THR A 62 -6.477 -8.859 -10.162 1.00 25.00 H new ATOM 0 HG1 THR A 62 -4.549 -8.110 -11.270 1.00 25.00 H new ATOM 0 HG21 THR A 62 -6.006 -6.440 -10.407 1.00 25.00 H new ATOM 0 HG22 THR A 62 -6.826 -6.794 -8.867 1.00 25.00 H new ATOM 0 HG23 THR A 62 -5.075 -6.476 -8.891 1.00 25.00 H new ATOM 947 N PRO A 63 -6.226 -11.471 -8.285 1.00 25.00 N ATOM 948 CA PRO A 63 -5.951 -12.907 -8.373 1.00 25.00 C ATOM 949 C PRO A 63 -5.691 -13.330 -9.802 1.00 25.00 C ATOM 950 O PRO A 63 -5.976 -12.587 -10.739 1.00 25.00 O ATOM 951 CB PRO A 63 -7.235 -13.530 -7.816 1.00 25.00 C ATOM 952 CG PRO A 63 -8.297 -12.562 -8.221 1.00 25.00 C ATOM 953 CD PRO A 63 -7.654 -11.216 -8.004 1.00 25.00 C ATOM 0 HA PRO A 63 -5.058 -13.214 -7.828 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -7.414 -14.521 -8.234 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -7.188 -13.645 -6.733 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -8.591 -12.702 -9.261 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -9.197 -12.678 -7.617 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -8.067 -10.461 -8.673 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -7.806 -10.857 -6.986 1.00 25.00 H new ATOM 961 N ALA A 64 -5.195 -14.550 -9.966 1.00 25.00 N ATOM 962 CA ALA A 64 -4.997 -15.100 -11.295 1.00 25.00 C ATOM 963 C ALA A 64 -6.378 -15.224 -11.957 1.00 25.00 C ATOM 964 O ALA A 64 -7.384 -15.460 -11.279 1.00 25.00 O ATOM 965 CB ALA A 64 -4.311 -16.456 -11.221 1.00 25.00 C ATOM 0 H ALA A 64 -4.926 -15.170 -9.202 1.00 25.00 H new ATOM 0 HA ALA A 64 -4.353 -14.446 -11.883 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -4.173 -16.849 -12.228 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -3.340 -16.347 -10.738 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -4.928 -17.145 -10.644 1.00 25.00 H new ATOM 971 N LYS A 65 -6.429 -14.980 -13.258 1.00 25.00 N ATOM 972 CA LYS A 65 -7.700 -14.959 -13.986 1.00 25.00 C ATOM 973 C LYS A 65 -8.336 -16.343 -14.120 1.00 25.00 C ATOM 974 O LYS A 65 -9.547 -16.487 -13.955 1.00 25.00 O ATOM 975 CB LYS A 65 -7.496 -14.351 -15.369 1.00 25.00 C ATOM 976 CG LYS A 65 -7.052 -12.907 -15.329 1.00 25.00 C ATOM 977 CD LYS A 65 -6.975 -12.357 -16.758 1.00 25.00 C ATOM 978 CE LYS A 65 -6.482 -10.903 -16.779 1.00 25.00 C ATOM 979 NZ LYS A 65 -7.427 -9.992 -16.004 1.00 25.00 N ATOM 0 H LYS A 65 -5.609 -14.793 -13.835 1.00 25.00 H new ATOM 0 HA LYS A 65 -8.387 -14.348 -13.401 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -6.753 -14.937 -15.910 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -8.428 -14.422 -15.930 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -7.752 -12.316 -14.738 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -6.079 -12.828 -14.844 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -6.304 -12.978 -17.352 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -7.959 -12.415 -17.224 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -5.483 -10.848 -16.347 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -6.403 -10.557 -17.810 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -7.168 -8.999 -16.173 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -8.404 -10.154 -16.322 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -7.354 -10.200 -14.988 1.00 25.00 H new ATOM 993 N SER A 66 -7.519 -17.338 -14.444 1.00 25.00 N ATOM 994 CA SER A 66 -7.995 -18.719 -14.581 1.00 25.00 C ATOM 995 C SER A 66 -6.757 -19.605 -14.578 1.00 25.00 C ATOM 996 O SER A 66 -5.781 -19.303 -15.252 1.00 25.00 O ATOM 997 CB SER A 66 -8.743 -18.929 -15.912 1.00 25.00 C ATOM 998 OG SER A 66 -9.253 -20.248 -15.993 1.00 25.00 O ATOM 0 H SER A 66 -6.521 -17.219 -14.618 1.00 25.00 H new ATOM 0 HA SER A 66 -8.684 -18.955 -13.770 1.00 25.00 H new ATOM 0 HB2 SER A 66 -9.560 -18.212 -15.994 1.00 25.00 H new ATOM 0 HB3 SER A 66 -8.069 -18.742 -16.748 1.00 25.00 H new ATOM 0 HG SER A 66 -9.726 -20.364 -16.843 1.00 25.00 H new ATOM 1004 N GLU A 67 -6.818 -20.709 -13.840 1.00 25.00 N ATOM 1005 CA GLU A 67 -5.760 -21.737 -13.812 1.00 25.00 C ATOM 1006 C GLU A 67 -6.265 -22.999 -14.490 1.00 25.00 C ATOM 1007 O GLU A 67 -5.897 -23.101 -15.720 1.00 25.00 O ATOM 1008 CB GLU A 67 -5.303 -22.055 -12.375 1.00 25.00 C ATOM 1009 CG GLU A 67 -4.347 -20.986 -11.817 1.00 25.00 C ATOM 1010 CD GLU A 67 -2.930 -21.282 -12.237 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -2.597 -20.987 -13.362 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -2.168 -21.757 -11.416 1.00 25.00 O ATOM 0 H GLU A 67 -7.609 -20.926 -13.234 1.00 25.00 H new ATOM 0 HA GLU A 67 -4.895 -21.346 -14.348 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -6.176 -22.132 -11.727 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -4.808 -23.026 -12.360 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -4.642 -20.001 -12.177 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -4.414 -20.961 -10.729 1.00 25.00 H new TER 1019 GLU A 67