USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 628 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 47 TYR OH : rot -93:sc= 0.94 USER MOD Set 1.2: A 56 HIS : no HE2:sc= 0.273 K(o=1.2,f=-0.81) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.82 K(o=-0.82,f=-0.02) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 72:sc= -0.652 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.896 -1.115 5.927 1.00 0.00 N ATOM 43 CA LEU A 3 -12.519 -1.283 5.476 1.00 0.00 C ATOM 44 C LEU A 3 -12.003 -2.678 5.811 1.00 0.00 C ATOM 45 O LEU A 3 -12.585 -3.387 6.633 1.00 0.00 O ATOM 46 CB LEU A 3 -11.619 -0.226 6.117 1.00 0.00 C ATOM 47 CG LEU A 3 -12.017 1.231 5.875 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.119 2.168 6.668 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.956 1.561 4.391 1.00 0.00 C ATOM 0 HA LEU A 3 -12.500 -1.159 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.596 -0.401 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.603 -0.370 5.748 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.043 1.369 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.417 3.200 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.212 1.948 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.083 2.028 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.242 2.601 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.941 1.406 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.641 0.912 3.845 1.00 0.00 H new ATOM 61 N VAL A 4 -10.905 -3.067 5.170 1.00 0.00 N ATOM 62 CA VAL A 4 -10.307 -4.377 5.402 1.00 0.00 C ATOM 63 C VAL A 4 -8.805 -4.348 5.145 1.00 0.00 C ATOM 64 O VAL A 4 -8.335 -3.675 4.228 1.00 0.00 O ATOM 65 CB VAL A 4 -10.950 -5.453 4.508 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.309 -5.861 5.056 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.071 -4.954 3.077 1.00 0.00 C ATOM 0 H VAL A 4 -10.411 -2.494 4.486 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.489 -4.628 6.447 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.306 -6.333 4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.748 -6.622 4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.190 -6.263 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -12.965 -4.991 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.527 -5.727 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.692 -4.059 3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.080 -4.718 2.689 1.00 0.00 H new ATOM 77 N GLU A 5 -8.056 -5.084 5.961 1.00 0.00 N ATOM 78 CA GLU A 5 -6.606 -5.143 5.821 1.00 0.00 C ATOM 79 C GLU A 5 -6.209 -6.006 4.628 1.00 0.00 C ATOM 80 O GLU A 5 -6.549 -7.188 4.563 1.00 0.00 O ATOM 81 CB GLU A 5 -5.970 -5.695 7.099 1.00 0.00 C ATOM 82 CG GLU A 5 -4.451 -5.718 7.062 1.00 0.00 C ATOM 83 CD GLU A 5 -3.836 -5.862 8.440 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.361 -6.663 9.242 1.00 0.00 O ATOM 85 OE2 GLU A 5 -2.832 -5.174 8.717 1.00 0.00 O ATOM 0 H GLU A 5 -8.429 -5.647 6.725 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.242 -4.130 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.295 -5.092 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.336 -6.707 7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.119 -6.543 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.089 -4.799 6.601 1.00 0.00 H new ATOM 92 N ILE A 6 -5.488 -5.408 3.686 1.00 0.00 N ATOM 93 CA ILE A 6 -5.044 -6.122 2.495 1.00 0.00 C ATOM 94 C ILE A 6 -3.571 -6.503 2.600 1.00 0.00 C ATOM 95 O ILE A 6 -3.168 -7.585 2.175 1.00 0.00 O ATOM 96 CB ILE A 6 -5.255 -5.280 1.223 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.830 -3.830 1.467 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.709 -5.344 0.780 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.784 -2.994 0.208 1.00 0.00 C ATOM 0 H ILE A 6 -5.199 -4.431 3.724 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.647 -7.027 2.426 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.634 -5.691 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.522 -3.371 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.845 -3.822 1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.842 -4.744 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.980 -6.379 0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.348 -4.955 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.475 -1.979 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.071 -3.429 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.773 -2.971 -0.250 1.00 0.00 H new ATOM 111 N GLY A 7 -2.772 -5.607 3.171 1.00 0.00 N ATOM 112 CA GLY A 7 -1.353 -5.869 3.323 1.00 0.00 C ATOM 113 C GLY A 7 -0.715 -5.003 4.391 1.00 0.00 C ATOM 114 O GLY A 7 -1.378 -4.157 4.991 1.00 0.00 O ATOM 0 H GLY A 7 -3.082 -4.704 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.205 -6.919 3.575 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.851 -5.696 2.371 1.00 0.00 H new ATOM 118 N ARG A 8 0.575 -5.215 4.630 1.00 0.00 N ATOM 119 CA ARG A 8 1.302 -4.448 5.635 1.00 0.00 C ATOM 120 C ARG A 8 2.689 -4.064 5.127 1.00 0.00 C ATOM 121 O ARG A 8 3.352 -4.848 4.447 1.00 0.00 O ATOM 122 CB ARG A 8 1.426 -5.254 6.930 1.00 0.00 C ATOM 123 CG ARG A 8 2.124 -4.501 8.050 1.00 0.00 C ATOM 124 CD ARG A 8 3.627 -4.731 8.025 1.00 0.00 C ATOM 125 NE ARG A 8 4.003 -5.968 8.705 1.00 0.00 N ATOM 126 CZ ARG A 8 4.137 -6.069 10.023 1.00 0.00 C ATOM 127 NH1 ARG A 8 3.928 -5.014 10.798 1.00 0.00 N ATOM 128 NH2 ARG A 8 4.482 -7.229 10.568 1.00 0.00 N ATOM 0 H ARG A 8 1.138 -5.911 4.142 1.00 0.00 H new ATOM 0 HA ARG A 8 0.742 -3.535 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.430 -5.544 7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.974 -6.174 6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.917 -3.435 7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.722 -4.822 9.011 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.971 -4.767 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.131 -3.889 8.500 1.00 0.00 H new ATOM 0 HE ARG A 8 4.172 -6.799 8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.663 -4.121 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.032 -5.096 11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.644 -8.043 9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.585 -7.307 11.580 1.00 0.00 H new ATOM 142 N PHE A 9 3.122 -2.854 5.463 1.00 0.00 N ATOM 143 CA PHE A 9 4.429 -2.364 5.040 1.00 0.00 C ATOM 144 C PHE A 9 5.547 -3.093 5.780 1.00 0.00 C ATOM 145 O PHE A 9 5.575 -3.124 7.010 1.00 0.00 O ATOM 146 CB PHE A 9 4.537 -0.858 5.285 1.00 0.00 C ATOM 147 CG PHE A 9 3.596 -0.045 4.443 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.478 -0.286 3.083 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.830 0.960 5.010 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.614 0.462 2.306 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.963 1.711 4.238 1.00 0.00 C ATOM 152 CZ PHE A 9 1.854 1.460 2.884 1.00 0.00 C ATOM 0 H PHE A 9 2.587 -2.194 6.027 1.00 0.00 H new ATOM 0 HA PHE A 9 4.535 -2.559 3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.339 -0.654 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.560 -0.538 5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.068 -1.067 2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.911 1.160 6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.533 0.266 1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.372 2.492 4.693 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.176 2.043 2.279 1.00 0.00 H new ATOM 162 N GLY A 10 6.468 -3.679 5.020 1.00 0.00 N ATOM 163 CA GLY A 10 7.576 -4.400 5.620 1.00 0.00 C ATOM 164 C GLY A 10 8.807 -3.532 5.791 1.00 0.00 C ATOM 165 O GLY A 10 9.024 -2.953 6.855 1.00 0.00 O ATOM 0 H GLY A 10 6.466 -3.667 4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.270 -4.787 6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.825 -5.260 4.999 1.00 0.00 H new ATOM 169 N ALA A 11 9.617 -3.444 4.741 1.00 0.00 N ATOM 170 CA ALA A 11 10.833 -2.642 4.779 1.00 0.00 C ATOM 171 C ALA A 11 10.801 -1.546 3.719 1.00 0.00 C ATOM 172 O ALA A 11 10.157 -1.674 2.678 1.00 0.00 O ATOM 173 CB ALA A 11 12.056 -3.527 4.589 1.00 0.00 C ATOM 0 H ALA A 11 9.453 -3.919 3.853 1.00 0.00 H new ATOM 0 HA ALA A 11 10.893 -2.164 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.957 -2.914 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.095 -4.270 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.993 -4.032 3.625 1.00 0.00 H new ATOM 179 N PRO A 12 11.511 -0.440 3.989 1.00 0.00 N ATOM 180 CA PRO A 12 11.580 0.700 3.070 1.00 0.00 C ATOM 181 C PRO A 12 12.373 0.380 1.807 1.00 0.00 C ATOM 182 O PRO A 12 13.581 0.151 1.863 1.00 0.00 O ATOM 183 CB PRO A 12 12.294 1.776 3.892 1.00 0.00 C ATOM 184 CG PRO A 12 13.098 1.017 4.891 1.00 0.00 C ATOM 185 CD PRO A 12 12.302 -0.218 5.211 1.00 0.00 C ATOM 0 HA PRO A 12 10.593 0.999 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.930 2.398 3.262 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.581 2.440 4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.077 0.757 4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.271 1.613 5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.949 -1.067 5.431 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.663 -0.070 6.082 1.00 0.00 H new ATOM 193 N TYR A 13 11.686 0.367 0.670 1.00 0.00 N ATOM 194 CA TYR A 13 12.326 0.073 -0.606 1.00 0.00 C ATOM 195 C TYR A 13 13.540 0.971 -0.826 1.00 0.00 C ATOM 196 O TYR A 13 13.840 1.839 -0.008 1.00 0.00 O ATOM 197 CB TYR A 13 11.330 0.253 -1.753 1.00 0.00 C ATOM 198 CG TYR A 13 11.735 -0.460 -3.024 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.794 -1.848 -3.076 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.059 0.253 -4.171 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.164 -2.504 -4.234 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.428 -0.395 -5.334 1.00 0.00 C ATOM 203 CZ TYR A 13 12.480 -1.773 -5.361 1.00 0.00 C ATOM 204 OH TYR A 13 12.849 -2.422 -6.517 1.00 0.00 O ATOM 0 H TYR A 13 10.686 0.557 0.606 1.00 0.00 H new ATOM 0 HA TYR A 13 12.662 -0.964 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.354 -0.113 -1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.219 1.317 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.546 -2.423 -2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.022 1.332 -4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.206 -3.583 -4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.675 0.175 -6.218 1.00 0.00 H new ATOM 0 HH TYR A 13 13.037 -1.762 -7.217 1.00 0.00 H new ATOM 214 N ALA A 14 14.234 0.753 -1.938 1.00 0.00 N ATOM 215 CA ALA A 14 15.414 1.543 -2.269 1.00 0.00 C ATOM 216 C ALA A 14 15.164 3.029 -2.031 1.00 0.00 C ATOM 217 O ALA A 14 14.022 3.457 -1.857 1.00 0.00 O ATOM 218 CB ALA A 14 15.824 1.300 -3.714 1.00 0.00 C ATOM 0 H ALA A 14 14.000 0.036 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 14 16.227 1.228 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.706 1.896 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.053 0.244 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.007 1.586 -4.377 1.00 0.00 H new ATOM 224 N LEU A 15 16.238 3.811 -2.025 1.00 0.00 N ATOM 225 CA LEU A 15 16.135 5.250 -1.807 1.00 0.00 C ATOM 226 C LEU A 15 15.081 5.865 -2.722 1.00 0.00 C ATOM 227 O LEU A 15 14.511 6.912 -2.415 1.00 0.00 O ATOM 228 CB LEU A 15 17.489 5.919 -2.048 1.00 0.00 C ATOM 229 CG LEU A 15 18.694 5.259 -1.376 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.977 5.987 -1.745 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.511 5.229 0.135 1.00 0.00 C ATOM 0 H LEU A 15 17.190 3.473 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 15 15.833 5.416 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.670 5.951 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.428 6.952 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 15 18.768 4.232 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.823 5.503 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.115 5.956 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.914 7.024 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.378 4.756 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.411 6.248 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.614 4.662 0.382 1.00 0.00 H new ATOM 243 N LYS A 16 14.825 5.206 -3.847 1.00 0.00 N ATOM 244 CA LYS A 16 13.836 5.685 -4.806 1.00 0.00 C ATOM 245 C LYS A 16 12.615 6.253 -4.091 1.00 0.00 C ATOM 246 O LYS A 16 11.953 7.159 -4.596 1.00 0.00 O ATOM 247 CB LYS A 16 13.411 4.550 -5.741 1.00 0.00 C ATOM 248 CG LYS A 16 14.542 4.015 -6.603 1.00 0.00 C ATOM 249 CD LYS A 16 14.955 5.019 -7.666 1.00 0.00 C ATOM 250 CE LYS A 16 14.061 4.931 -8.893 1.00 0.00 C ATOM 251 NZ LYS A 16 14.214 6.120 -9.777 1.00 0.00 N ATOM 0 H LYS A 16 15.289 4.339 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 16 14.293 6.481 -5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.002 3.734 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.609 4.905 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.399 3.777 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.229 3.086 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.910 6.027 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.990 4.839 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.302 4.028 -9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.021 4.843 -8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.588 6.022 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.960 6.980 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.201 6.190 -10.097 1.00 0.00 H new ATOM 265 N GLY A 17 12.322 5.716 -2.911 1.00 0.00 N ATOM 266 CA GLY A 17 11.182 6.183 -2.145 1.00 0.00 C ATOM 267 C GLY A 17 10.024 5.205 -2.173 1.00 0.00 C ATOM 268 O GLY A 17 8.866 5.598 -2.034 1.00 0.00 O ATOM 0 H GLY A 17 12.854 4.965 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.487 6.351 -1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.852 7.144 -2.540 1.00 0.00 H new ATOM 272 N GLY A 18 10.336 3.926 -2.355 1.00 0.00 N ATOM 273 CA GLY A 18 9.302 2.908 -2.399 1.00 0.00 C ATOM 274 C GLY A 18 9.129 2.199 -1.071 1.00 0.00 C ATOM 275 O GLY A 18 10.066 2.117 -0.275 1.00 0.00 O ATOM 0 H GLY A 18 11.287 3.576 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.357 3.367 -2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.549 2.176 -3.168 1.00 0.00 H new ATOM 279 N LEU A 19 7.929 1.685 -0.828 1.00 0.00 N ATOM 280 CA LEU A 19 7.635 0.980 0.415 1.00 0.00 C ATOM 281 C LEU A 19 7.146 -0.437 0.134 1.00 0.00 C ATOM 282 O LEU A 19 6.151 -0.635 -0.564 1.00 0.00 O ATOM 283 CB LEU A 19 6.583 1.744 1.221 1.00 0.00 C ATOM 284 CG LEU A 19 7.074 2.996 1.949 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.897 3.834 2.422 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.967 2.616 3.121 1.00 0.00 C ATOM 0 H LEU A 19 7.143 1.743 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 19 8.555 0.919 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.777 2.033 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.154 1.064 1.958 1.00 0.00 H new ATOM 0 HG LEU A 19 7.661 3.593 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.266 4.721 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.297 4.137 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.283 3.246 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.307 3.519 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.405 1.997 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.829 2.058 2.756 1.00 0.00 H new ATOM 298 N ARG A 20 7.852 -1.420 0.684 1.00 0.00 N ATOM 299 CA ARG A 20 7.489 -2.820 0.493 1.00 0.00 C ATOM 300 C ARG A 20 6.128 -3.118 1.115 1.00 0.00 C ATOM 301 O ARG A 20 6.000 -3.224 2.335 1.00 0.00 O ATOM 302 CB ARG A 20 8.553 -3.732 1.107 1.00 0.00 C ATOM 303 CG ARG A 20 9.803 -3.869 0.254 1.00 0.00 C ATOM 304 CD ARG A 20 10.684 -5.011 0.736 1.00 0.00 C ATOM 305 NE ARG A 20 11.812 -5.248 -0.161 1.00 0.00 N ATOM 306 CZ ARG A 20 12.886 -5.952 0.180 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.977 -6.485 1.390 1.00 0.00 N ATOM 308 NH2 ARG A 20 13.872 -6.123 -0.692 1.00 0.00 N ATOM 0 H ARG A 20 8.678 -1.273 1.265 1.00 0.00 H new ATOM 0 HA ARG A 20 7.429 -3.012 -0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.832 -3.342 2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.123 -4.721 1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.519 -4.040 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.367 -2.937 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.057 -4.785 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.088 -5.920 0.817 1.00 0.00 H new ATOM 0 HE ARG A 20 11.773 -4.852 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.221 -6.355 2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.803 -7.025 1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.805 -5.714 -1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.696 -6.663 -0.430 1.00 0.00 H new ATOM 322 N PHE A 21 5.113 -3.252 0.267 1.00 0.00 N ATOM 323 CA PHE A 21 3.761 -3.537 0.733 1.00 0.00 C ATOM 324 C PHE A 21 3.362 -4.971 0.400 1.00 0.00 C ATOM 325 O PHE A 21 3.219 -5.332 -0.768 1.00 0.00 O ATOM 326 CB PHE A 21 2.765 -2.560 0.103 1.00 0.00 C ATOM 327 CG PHE A 21 1.338 -3.018 0.191 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.649 -2.957 1.392 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.685 -3.511 -0.927 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.665 -3.378 1.476 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.629 -3.933 -0.850 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.304 -3.868 0.354 1.00 0.00 C ATOM 0 H PHE A 21 5.201 -3.168 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 21 3.744 -3.416 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.858 -1.592 0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.027 -2.412 -0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.145 -2.576 2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.209 -3.566 -1.870 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.191 -3.324 2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.127 -4.313 -1.730 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.330 -4.200 0.417 1.00 0.00 H new ATOM 342 N ARG A 22 3.184 -5.785 1.436 1.00 0.00 N ATOM 343 CA ARG A 22 2.804 -7.181 1.255 1.00 0.00 C ATOM 344 C ARG A 22 1.314 -7.377 1.520 1.00 0.00 C ATOM 345 O ARG A 22 0.890 -7.521 2.666 1.00 0.00 O ATOM 346 CB ARG A 22 3.620 -8.079 2.186 1.00 0.00 C ATOM 347 CG ARG A 22 4.989 -8.443 1.634 1.00 0.00 C ATOM 348 CD ARG A 22 5.923 -8.923 2.733 1.00 0.00 C ATOM 349 NE ARG A 22 6.919 -9.867 2.233 1.00 0.00 N ATOM 350 CZ ARG A 22 6.629 -11.105 1.847 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.380 -11.545 1.904 1.00 0.00 N ATOM 352 NH2 ARG A 22 7.590 -11.905 1.403 1.00 0.00 N ATOM 0 H ARG A 22 3.297 -5.502 2.409 1.00 0.00 H new ATOM 0 HA ARG A 22 3.012 -7.457 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.746 -7.576 3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.060 -8.994 2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.883 -9.222 0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.425 -7.576 1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.428 -8.066 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.340 -9.396 3.523 1.00 0.00 H new ATOM 0 HE ARG A 22 7.890 -9.559 2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.639 -10.933 2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.160 -12.496 1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.552 -11.570 1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.366 -12.855 1.107 1.00 0.00 H new ATOM 366 N GLY A 23 0.523 -7.380 0.451 1.00 0.00 N ATOM 367 CA GLY A 23 -0.911 -7.558 0.589 1.00 0.00 C ATOM 368 C GLY A 23 -1.500 -8.403 -0.523 1.00 0.00 C ATOM 369 O GLY A 23 -0.803 -8.765 -1.471 1.00 0.00 O ATOM 0 H GLY A 23 0.850 -7.262 -0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.125 -8.027 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.396 -6.582 0.595 1.00 0.00 H new ATOM 373 N GLU A 24 -2.786 -8.718 -0.407 1.00 0.00 N ATOM 374 CA GLU A 24 -3.467 -9.528 -1.411 1.00 0.00 C ATOM 375 C GLU A 24 -3.192 -8.998 -2.815 1.00 0.00 C ATOM 376 O GLU A 24 -2.880 -7.824 -3.013 1.00 0.00 O ATOM 377 CB GLU A 24 -4.974 -9.546 -1.147 1.00 0.00 C ATOM 378 CG GLU A 24 -5.370 -10.372 0.066 1.00 0.00 C ATOM 379 CD GLU A 24 -4.830 -11.787 0.009 1.00 0.00 C ATOM 380 OE1 GLU A 24 -3.684 -12.005 0.455 1.00 0.00 O ATOM 381 OE2 GLU A 24 -5.554 -12.679 -0.482 1.00 0.00 O ATOM 0 H GLU A 24 -3.377 -8.425 0.371 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.081 -10.545 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.322 -8.522 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.484 -9.940 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.004 -9.883 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.457 -10.405 0.140 1.00 0.00 H new ATOM 388 N PRO A 25 -3.309 -9.885 -3.815 1.00 0.00 N ATOM 389 CA PRO A 25 -3.077 -9.531 -5.218 1.00 0.00 C ATOM 390 C PRO A 25 -4.164 -8.616 -5.772 1.00 0.00 C ATOM 391 O PRO A 25 -4.016 -8.042 -6.851 1.00 0.00 O ATOM 392 CB PRO A 25 -3.102 -10.884 -5.934 1.00 0.00 C ATOM 393 CG PRO A 25 -3.933 -11.759 -5.061 1.00 0.00 C ATOM 394 CD PRO A 25 -3.677 -11.302 -3.652 1.00 0.00 C ATOM 0 HA PRO A 25 -2.146 -8.980 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.533 -10.796 -6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.096 -11.286 -6.055 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.990 -11.671 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.661 -12.807 -5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.561 -11.418 -3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.876 -11.874 -3.183 1.00 0.00 H new ATOM 402 N VAL A 26 -5.256 -8.482 -5.026 1.00 0.00 N ATOM 403 CA VAL A 26 -6.367 -7.635 -5.442 1.00 0.00 C ATOM 404 C VAL A 26 -5.958 -6.166 -5.467 1.00 0.00 C ATOM 405 O VAL A 26 -6.618 -5.338 -6.095 1.00 0.00 O ATOM 406 CB VAL A 26 -7.581 -7.803 -4.509 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.282 -7.224 -3.135 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.813 -7.149 -5.116 1.00 0.00 C ATOM 0 H VAL A 26 -5.395 -8.949 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.646 -7.949 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.783 -8.868 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.151 -7.352 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.427 -7.742 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.053 -6.163 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.661 -7.277 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.625 -6.086 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.037 -7.615 -6.076 1.00 0.00 H new ATOM 418 N VAL A 27 -4.865 -5.850 -4.781 1.00 0.00 N ATOM 419 CA VAL A 27 -4.367 -4.481 -4.725 1.00 0.00 C ATOM 420 C VAL A 27 -4.008 -3.970 -6.116 1.00 0.00 C ATOM 421 O VAL A 27 -3.906 -2.763 -6.339 1.00 0.00 O ATOM 422 CB VAL A 27 -3.129 -4.371 -3.815 1.00 0.00 C ATOM 423 CG1 VAL A 27 -1.969 -5.167 -4.392 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.741 -2.913 -3.618 1.00 0.00 C ATOM 0 H VAL A 27 -4.307 -6.524 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.169 -3.869 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.377 -4.792 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.104 -5.077 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.254 -6.216 -4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.717 -4.779 -5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.865 -2.854 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.511 -2.464 -4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.569 -2.375 -3.156 1.00 0.00 H new ATOM 434 N LEU A 28 -3.818 -4.896 -7.049 1.00 0.00 N ATOM 435 CA LEU A 28 -3.471 -4.540 -8.421 1.00 0.00 C ATOM 436 C LEU A 28 -4.650 -3.875 -9.126 1.00 0.00 C ATOM 437 O LEU A 28 -4.532 -3.426 -10.266 1.00 0.00 O ATOM 438 CB LEU A 28 -3.034 -5.783 -9.197 1.00 0.00 C ATOM 439 CG LEU A 28 -1.878 -6.580 -8.591 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.387 -7.636 -9.569 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.741 -5.651 -8.191 1.00 0.00 C ATOM 0 H LEU A 28 -3.898 -5.899 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.644 -3.831 -8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.894 -6.446 -9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.750 -5.477 -10.204 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.240 -7.084 -7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.564 -8.193 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.202 -8.320 -9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.042 -7.153 -10.483 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.073 -6.236 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.380 -5.118 -9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.100 -4.933 -7.454 1.00 0.00 H new ATOM 453 N HIS A 29 -5.786 -3.813 -8.438 1.00 0.00 N ATOM 454 CA HIS A 29 -6.985 -3.200 -8.997 1.00 0.00 C ATOM 455 C HIS A 29 -7.404 -1.982 -8.180 1.00 0.00 C ATOM 456 O HIS A 29 -8.420 -1.347 -8.469 1.00 0.00 O ATOM 457 CB HIS A 29 -8.128 -4.215 -9.043 1.00 0.00 C ATOM 458 CG HIS A 29 -8.007 -5.203 -10.163 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.497 -4.968 -11.430 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.446 -6.434 -10.201 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.245 -6.012 -12.199 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.607 -6.916 -11.477 1.00 0.00 N ATOM 0 H HIS A 29 -5.901 -4.180 -7.493 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.757 -2.874 -10.012 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.163 -4.754 -8.096 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.073 -3.681 -9.141 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.962 -6.943 -9.381 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.514 -6.110 -13.240 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.286 -7.824 -11.813 1.00 0.00 H new ATOM 470 N LEU A 30 -6.617 -1.661 -7.160 1.00 0.00 N ATOM 471 CA LEU A 30 -6.906 -0.519 -6.300 1.00 0.00 C ATOM 472 C LEU A 30 -6.197 0.735 -6.802 1.00 0.00 C ATOM 473 O LEU A 30 -5.150 0.651 -7.444 1.00 0.00 O ATOM 474 CB LEU A 30 -6.480 -0.817 -4.861 1.00 0.00 C ATOM 475 CG LEU A 30 -7.401 -1.745 -4.067 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.667 -2.329 -2.870 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.650 -1.001 -3.619 1.00 0.00 C ATOM 0 H LEU A 30 -5.773 -2.176 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.981 -0.341 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.483 -1.258 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.399 0.128 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.705 -2.566 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.338 -2.987 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.804 -2.898 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.332 -1.521 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.294 -1.677 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.365 -0.160 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.187 -0.633 -4.493 1.00 0.00 H new ATOM 489 N GLU A 31 -6.774 1.895 -6.504 1.00 0.00 N ATOM 490 CA GLU A 31 -6.195 3.165 -6.925 1.00 0.00 C ATOM 491 C GLU A 31 -5.523 3.872 -5.752 1.00 0.00 C ATOM 492 O GLU A 31 -4.389 4.340 -5.862 1.00 0.00 O ATOM 493 CB GLU A 31 -7.274 4.067 -7.528 1.00 0.00 C ATOM 494 CG GLU A 31 -7.935 3.483 -8.765 1.00 0.00 C ATOM 495 CD GLU A 31 -7.213 3.860 -10.044 1.00 0.00 C ATOM 496 OE1 GLU A 31 -6.853 5.046 -10.194 1.00 0.00 O ATOM 497 OE2 GLU A 31 -7.009 2.969 -10.895 1.00 0.00 O ATOM 0 H GLU A 31 -7.641 1.981 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.439 2.957 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.038 4.259 -6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.830 5.029 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.967 2.397 -8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.967 3.829 -8.819 1.00 0.00 H new ATOM 504 N ARG A 32 -6.230 3.946 -4.629 1.00 0.00 N ATOM 505 CA ARG A 32 -5.703 4.597 -3.436 1.00 0.00 C ATOM 506 C ARG A 32 -5.556 3.598 -2.291 1.00 0.00 C ATOM 507 O ARG A 32 -5.885 2.421 -2.435 1.00 0.00 O ATOM 508 CB ARG A 32 -6.618 5.746 -3.009 1.00 0.00 C ATOM 509 CG ARG A 32 -7.847 5.291 -2.239 1.00 0.00 C ATOM 510 CD ARG A 32 -8.657 6.475 -1.734 1.00 0.00 C ATOM 511 NE ARG A 32 -7.816 7.638 -1.462 1.00 0.00 N ATOM 512 CZ ARG A 32 -7.456 8.518 -2.389 1.00 0.00 C ATOM 513 NH1 ARG A 32 -7.862 8.369 -3.643 1.00 0.00 N ATOM 514 NH2 ARG A 32 -6.689 9.550 -2.064 1.00 0.00 N ATOM 0 H ARG A 32 -7.169 3.563 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.718 4.996 -3.676 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.050 6.442 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.937 6.294 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.471 4.669 -2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.541 4.672 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.413 6.739 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.187 6.190 -0.825 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.487 7.782 -0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.452 7.577 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.584 9.047 -4.353 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.375 9.669 -1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.413 10.225 -2.777 1.00 0.00 H new ATOM 528 N VAL A 33 -5.057 4.076 -1.156 1.00 0.00 N ATOM 529 CA VAL A 33 -4.867 3.226 0.014 1.00 0.00 C ATOM 530 C VAL A 33 -5.092 4.007 1.303 1.00 0.00 C ATOM 531 O VAL A 33 -5.360 5.208 1.275 1.00 0.00 O ATOM 532 CB VAL A 33 -3.454 2.613 0.037 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.320 1.539 -1.031 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.401 3.695 -0.147 1.00 0.00 C ATOM 0 H VAL A 33 -4.777 5.047 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.602 2.424 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.295 2.146 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.315 1.118 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.050 0.751 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.499 1.978 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.409 3.244 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.555 4.194 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.484 4.424 0.659 1.00 0.00 H new ATOM 544 N TYR A 34 -4.982 3.316 2.433 1.00 0.00 N ATOM 545 CA TYR A 34 -5.175 3.945 3.735 1.00 0.00 C ATOM 546 C TYR A 34 -4.022 3.612 4.677 1.00 0.00 C ATOM 547 O TYR A 34 -3.781 2.447 4.994 1.00 0.00 O ATOM 548 CB TYR A 34 -6.500 3.491 4.351 1.00 0.00 C ATOM 549 CG TYR A 34 -6.744 4.046 5.736 1.00 0.00 C ATOM 550 CD1 TYR A 34 -6.107 5.204 6.165 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.613 3.413 6.616 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.327 5.714 7.430 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.840 3.917 7.882 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.194 5.067 8.284 1.00 0.00 C ATOM 555 OH TYR A 34 -7.417 5.573 9.545 1.00 0.00 O ATOM 0 H TYR A 34 -4.760 2.321 2.474 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.200 5.025 3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.318 3.794 3.698 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.516 2.402 4.397 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.428 5.714 5.498 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.120 2.511 6.305 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.823 6.614 7.748 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.520 3.413 8.553 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.055 5.000 10.019 1.00 0.00 H new ATOM 565 N VAL A 35 -3.313 4.645 5.121 1.00 0.00 N ATOM 566 CA VAL A 35 -2.186 4.464 6.029 1.00 0.00 C ATOM 567 C VAL A 35 -2.646 4.461 7.482 1.00 0.00 C ATOM 568 O VAL A 35 -2.804 5.516 8.095 1.00 0.00 O ATOM 569 CB VAL A 35 -1.130 5.569 5.838 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.049 5.348 6.774 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.669 5.621 4.390 1.00 0.00 C ATOM 0 H VAL A 35 -3.499 5.615 4.867 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.739 3.499 5.791 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.585 6.528 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.785 6.138 6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.298 5.366 7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.506 4.382 6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.077 6.407 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.231 4.662 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.521 5.831 3.744 1.00 0.00 H new ATOM 581 N GLU A 36 -2.859 3.267 8.027 1.00 0.00 N ATOM 582 CA GLU A 36 -3.301 3.128 9.410 1.00 0.00 C ATOM 583 C GLU A 36 -2.310 3.782 10.367 1.00 0.00 C ATOM 584 O GLU A 36 -1.278 3.202 10.701 1.00 0.00 O ATOM 585 CB GLU A 36 -3.472 1.650 9.767 1.00 0.00 C ATOM 586 CG GLU A 36 -3.872 1.415 11.214 1.00 0.00 C ATOM 587 CD GLU A 36 -5.376 1.391 11.406 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.092 1.969 10.563 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.837 0.793 12.402 1.00 0.00 O ATOM 0 H GLU A 36 -2.733 2.384 7.533 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.262 3.633 9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.228 1.213 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.537 1.126 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.451 0.469 11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.442 2.199 11.838 1.00 0.00 H new ATOM 596 N GLY A 37 -2.631 4.996 10.805 1.00 0.00 N ATOM 597 CA GLY A 37 -1.759 5.710 11.718 1.00 0.00 C ATOM 598 C GLY A 37 -1.734 7.202 11.449 1.00 0.00 C ATOM 599 O GLY A 37 -1.861 8.009 12.370 1.00 0.00 O ATOM 0 H GLY A 37 -3.480 5.497 10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.088 5.534 12.742 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.748 5.312 11.635 1.00 0.00 H new ATOM 603 N HIS A 38 -1.567 7.570 10.182 1.00 0.00 N ATOM 604 CA HIS A 38 -1.524 8.975 9.794 1.00 0.00 C ATOM 605 C HIS A 38 -2.806 9.379 9.072 1.00 0.00 C ATOM 606 O HIS A 38 -3.691 10.000 9.659 1.00 0.00 O ATOM 607 CB HIS A 38 -0.315 9.241 8.897 1.00 0.00 C ATOM 608 CG HIS A 38 0.999 9.065 9.595 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.184 9.575 9.108 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.310 8.432 10.750 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.167 9.262 9.933 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.663 8.568 10.938 1.00 0.00 N ATOM 0 H HIS A 38 -1.459 6.915 9.408 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.434 9.574 10.700 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.354 8.569 8.039 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.378 10.258 8.509 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.622 7.916 11.403 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.206 9.528 9.807 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.193 8.194 11.725 1.00 0.00 H new ATOM 620 N GLY A 39 -2.898 9.023 7.795 1.00 0.00 N ATOM 621 CA GLY A 39 -4.075 9.357 7.014 1.00 0.00 C ATOM 622 C GLY A 39 -4.201 8.511 5.763 1.00 0.00 C ATOM 623 O GLY A 39 -3.365 7.644 5.506 1.00 0.00 O ATOM 0 H GLY A 39 -2.178 8.509 7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.965 9.225 7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.035 10.410 6.734 1.00 0.00 H new ATOM 627 N TRP A 40 -5.247 8.760 4.985 1.00 0.00 N ATOM 628 CA TRP A 40 -5.481 8.012 3.755 1.00 0.00 C ATOM 629 C TRP A 40 -4.569 8.505 2.637 1.00 0.00 C ATOM 630 O TRP A 40 -4.621 9.673 2.251 1.00 0.00 O ATOM 631 CB TRP A 40 -6.944 8.135 3.328 1.00 0.00 C ATOM 632 CG TRP A 40 -7.833 7.101 3.949 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.289 7.077 5.236 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.372 5.939 3.309 1.00 0.00 C ATOM 635 NE1 TRP A 40 -9.078 5.970 5.435 1.00 0.00 N ATOM 636 CE2 TRP A 40 -9.146 5.256 4.268 1.00 0.00 C ATOM 637 CE3 TRP A 40 -8.278 5.409 2.019 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.819 4.073 3.976 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.946 4.234 1.731 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.709 3.577 2.706 1.00 0.00 C ATOM 0 H TRP A 40 -5.947 9.474 5.184 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.254 6.964 3.949 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.311 9.126 3.594 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -7.006 8.053 2.243 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -8.063 7.819 5.987 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.539 5.720 6.310 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.694 5.909 1.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.407 3.565 4.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.879 3.815 0.738 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.220 2.661 2.449 1.00 0.00 H new ATOM 651 N ARG A 41 -3.734 7.609 2.120 1.00 0.00 N ATOM 652 CA ARG A 41 -2.810 7.955 1.047 1.00 0.00 C ATOM 653 C ARG A 41 -3.172 7.219 -0.240 1.00 0.00 C ATOM 654 O ARG A 41 -3.705 6.110 -0.204 1.00 0.00 O ATOM 655 CB ARG A 41 -1.374 7.618 1.453 1.00 0.00 C ATOM 656 CG ARG A 41 -0.747 8.646 2.380 1.00 0.00 C ATOM 657 CD ARG A 41 -0.186 9.828 1.604 1.00 0.00 C ATOM 658 NE ARG A 41 0.961 10.430 2.278 1.00 0.00 N ATOM 659 CZ ARG A 41 1.462 11.618 1.956 1.00 0.00 C ATOM 660 NH1 ARG A 41 0.919 12.326 0.976 1.00 0.00 N ATOM 661 NH2 ARG A 41 2.507 12.099 2.616 1.00 0.00 N ATOM 0 H ARG A 41 -3.679 6.638 2.427 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.887 9.027 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.363 6.644 1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.762 7.530 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.493 8.998 3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.050 8.178 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.110 9.500 0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.965 10.579 1.474 1.00 0.00 H new ATOM 0 HE ARG A 41 1.402 9.910 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.115 11.959 0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.305 13.238 0.731 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.927 11.557 3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.891 13.011 2.368 1.00 0.00 H new ATOM 675 N ALA A 42 -2.880 7.844 -1.375 1.00 0.00 N ATOM 676 CA ALA A 42 -3.173 7.249 -2.673 1.00 0.00 C ATOM 677 C ALA A 42 -1.937 6.574 -3.259 1.00 0.00 C ATOM 678 O ALA A 42 -0.812 6.847 -2.840 1.00 0.00 O ATOM 679 CB ALA A 42 -3.704 8.305 -3.631 1.00 0.00 C ATOM 0 H ALA A 42 -2.440 8.763 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.939 6.486 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.918 7.846 -4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.618 8.739 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.957 9.088 -3.760 1.00 0.00 H new ATOM 685 N ILE A 43 -2.154 5.692 -4.229 1.00 0.00 N ATOM 686 CA ILE A 43 -1.057 4.979 -4.872 1.00 0.00 C ATOM 687 C ILE A 43 -0.691 5.622 -6.206 1.00 0.00 C ATOM 688 O ILE A 43 -1.562 5.920 -7.021 1.00 0.00 O ATOM 689 CB ILE A 43 -1.409 3.499 -5.108 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.765 2.819 -3.784 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.251 2.780 -5.784 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.053 1.341 -3.921 1.00 0.00 C ATOM 0 H ILE A 43 -3.079 5.454 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.204 5.037 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.277 3.448 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.943 2.957 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.637 3.312 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.515 1.735 -5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.040 3.252 -6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.633 2.838 -5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.298 0.926 -2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.895 1.196 -4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.174 0.835 -4.321 1.00 0.00 H new ATOM 704 N GLU A 44 0.604 5.830 -6.420 1.00 0.00 N ATOM 705 CA GLU A 44 1.086 6.436 -7.656 1.00 0.00 C ATOM 706 C GLU A 44 1.729 5.389 -8.561 1.00 0.00 C ATOM 707 O GLU A 44 1.537 5.402 -9.777 1.00 0.00 O ATOM 708 CB GLU A 44 2.091 7.547 -7.348 1.00 0.00 C ATOM 709 CG GLU A 44 1.505 8.691 -6.538 1.00 0.00 C ATOM 710 CD GLU A 44 0.890 9.769 -7.410 1.00 0.00 C ATOM 711 OE1 GLU A 44 -0.238 9.561 -7.904 1.00 0.00 O ATOM 712 OE2 GLU A 44 1.537 10.820 -7.598 1.00 0.00 O ATOM 0 H GLU A 44 1.338 5.588 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 44 0.230 6.865 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.934 7.122 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.483 7.941 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.746 8.300 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.287 9.131 -5.920 1.00 0.00 H new ATOM 719 N ASP A 45 2.494 4.486 -7.959 1.00 0.00 N ATOM 720 CA ASP A 45 3.167 3.431 -8.709 1.00 0.00 C ATOM 721 C ASP A 45 3.457 2.229 -7.815 1.00 0.00 C ATOM 722 O ASP A 45 3.891 2.382 -6.673 1.00 0.00 O ATOM 723 CB ASP A 45 4.468 3.958 -9.315 1.00 0.00 C ATOM 724 CG ASP A 45 4.848 3.233 -10.591 1.00 0.00 C ATOM 725 OD1 ASP A 45 4.658 2.000 -10.652 1.00 0.00 O ATOM 726 OD2 ASP A 45 5.333 3.899 -11.529 1.00 0.00 O ATOM 0 H ASP A 45 2.664 4.463 -6.954 1.00 0.00 H new ATOM 0 HA ASP A 45 2.504 3.111 -9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.363 5.023 -9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.273 3.853 -8.588 1.00 0.00 H new ATOM 731 N LEU A 46 3.213 1.035 -8.342 1.00 0.00 N ATOM 732 CA LEU A 46 3.446 -0.195 -7.592 1.00 0.00 C ATOM 733 C LEU A 46 3.653 -1.376 -8.535 1.00 0.00 C ATOM 734 O LEU A 46 3.264 -1.329 -9.702 1.00 0.00 O ATOM 735 CB LEU A 46 2.270 -0.475 -6.655 1.00 0.00 C ATOM 736 CG LEU A 46 1.037 -1.112 -7.297 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.241 -2.608 -7.476 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.202 -0.837 -6.458 1.00 0.00 C ATOM 0 H LEU A 46 2.854 0.892 -9.286 1.00 0.00 H new ATOM 0 HA LEU A 46 4.351 -0.064 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.617 -1.129 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.969 0.464 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 46 0.892 -0.666 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.353 -3.044 -7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.104 -2.783 -8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.412 -3.071 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.070 -1.297 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.066 -1.255 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.358 0.239 -6.382 1.00 0.00 H new ATOM 750 N TYR A 47 4.267 -2.436 -8.020 1.00 0.00 N ATOM 751 CA TYR A 47 4.526 -3.630 -8.815 1.00 0.00 C ATOM 752 C TYR A 47 5.012 -4.777 -7.934 1.00 0.00 C ATOM 753 O TYR A 47 5.761 -4.567 -6.979 1.00 0.00 O ATOM 754 CB TYR A 47 5.562 -3.332 -9.900 1.00 0.00 C ATOM 755 CG TYR A 47 6.618 -2.338 -9.471 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.568 -2.673 -8.514 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.667 -1.065 -10.025 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.534 -1.769 -8.119 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.631 -0.154 -9.637 1.00 0.00 C ATOM 760 CZ TYR A 47 8.561 -0.510 -8.683 1.00 0.00 C ATOM 761 OH TYR A 47 9.523 0.393 -8.294 1.00 0.00 O ATOM 0 H TYR A 47 4.594 -2.492 -7.056 1.00 0.00 H new ATOM 0 HA TYR A 47 3.591 -3.930 -9.288 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.048 -4.263 -10.192 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.051 -2.948 -10.783 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.551 -3.658 -8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.939 -0.783 -10.772 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.264 -2.046 -7.373 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.656 0.831 -10.078 1.00 0.00 H new ATOM 0 HH TYR A 47 9.172 0.954 -7.571 1.00 0.00 H new ATOM 771 N ARG A 48 4.581 -5.990 -8.261 1.00 0.00 N ATOM 772 CA ARG A 48 4.971 -7.171 -7.501 1.00 0.00 C ATOM 773 C ARG A 48 6.377 -7.625 -7.883 1.00 0.00 C ATOM 774 O ARG A 48 6.570 -8.296 -8.897 1.00 0.00 O ATOM 775 CB ARG A 48 3.975 -8.308 -7.737 1.00 0.00 C ATOM 776 CG ARG A 48 3.855 -8.720 -9.195 1.00 0.00 C ATOM 777 CD ARG A 48 2.585 -9.518 -9.446 1.00 0.00 C ATOM 778 NE ARG A 48 2.777 -10.944 -9.194 1.00 0.00 N ATOM 779 CZ ARG A 48 3.383 -11.765 -10.044 1.00 0.00 C ATOM 780 NH1 ARG A 48 3.855 -11.305 -11.194 1.00 0.00 N ATOM 781 NH2 ARG A 48 3.519 -13.051 -9.744 1.00 0.00 N ATOM 0 H ARG A 48 3.961 -6.181 -9.048 1.00 0.00 H new ATOM 0 HA ARG A 48 4.968 -6.908 -6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.278 -9.173 -7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.994 -8.002 -7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.859 -7.832 -9.827 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.722 -9.316 -9.478 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.787 -9.141 -8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.263 -9.372 -10.477 1.00 0.00 H new ATOM 0 HE ARG A 48 2.427 -11.330 -8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.753 -10.318 -11.429 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.320 -11.938 -11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.158 -13.409 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.985 -13.681 -10.398 1.00 0.00 H new ATOM 795 N VAL A 49 7.356 -7.253 -7.065 1.00 0.00 N ATOM 796 CA VAL A 49 8.744 -7.622 -7.316 1.00 0.00 C ATOM 797 C VAL A 49 9.030 -9.043 -6.844 1.00 0.00 C ATOM 798 O VAL A 49 9.070 -9.313 -5.644 1.00 0.00 O ATOM 799 CB VAL A 49 9.717 -6.654 -6.617 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.155 -7.115 -6.803 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.530 -5.239 -7.142 1.00 0.00 C ATOM 0 H VAL A 49 7.214 -6.696 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 49 8.897 -7.564 -8.394 1.00 0.00 H new ATOM 0 HB VAL A 49 9.496 -6.653 -5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.828 -6.419 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.277 -8.109 -6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.392 -7.147 -7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.226 -4.569 -6.637 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.722 -5.221 -8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.508 -4.912 -6.951 1.00 0.00 H new ATOM 811 N GLY A 50 9.229 -9.949 -7.796 1.00 0.00 N ATOM 812 CA GLY A 50 9.509 -11.332 -7.457 1.00 0.00 C ATOM 813 C GLY A 50 8.439 -11.940 -6.573 1.00 0.00 C ATOM 814 O GLY A 50 7.349 -12.267 -7.042 1.00 0.00 O ATOM 0 H GLY A 50 9.201 -9.750 -8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.595 -11.917 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.472 -11.391 -6.949 1.00 0.00 H new ATOM 818 N GLU A 51 8.751 -12.094 -5.290 1.00 0.00 N ATOM 819 CA GLU A 51 7.808 -12.670 -4.338 1.00 0.00 C ATOM 820 C GLU A 51 7.354 -11.626 -3.322 1.00 0.00 C ATOM 821 O GLU A 51 7.096 -11.946 -2.162 1.00 0.00 O ATOM 822 CB GLU A 51 8.441 -13.861 -3.615 1.00 0.00 C ATOM 823 CG GLU A 51 8.790 -15.017 -4.537 1.00 0.00 C ATOM 824 CD GLU A 51 9.292 -16.233 -3.782 1.00 0.00 C ATOM 825 OE1 GLU A 51 10.508 -16.304 -3.511 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.466 -17.115 -3.463 1.00 0.00 O ATOM 0 H GLU A 51 9.649 -11.828 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 51 6.936 -13.014 -4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.345 -13.527 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.755 -14.215 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.910 -15.292 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.552 -14.694 -5.246 1.00 0.00 H new ATOM 833 N GLU A 52 7.259 -10.377 -3.768 1.00 0.00 N ATOM 834 CA GLU A 52 6.838 -9.286 -2.897 1.00 0.00 C ATOM 835 C GLU A 52 6.228 -8.147 -3.708 1.00 0.00 C ATOM 836 O GLU A 52 6.194 -8.194 -4.938 1.00 0.00 O ATOM 837 CB GLU A 52 8.024 -8.768 -2.081 1.00 0.00 C ATOM 838 CG GLU A 52 8.704 -9.841 -1.246 1.00 0.00 C ATOM 839 CD GLU A 52 9.597 -9.262 -0.166 1.00 0.00 C ATOM 840 OE1 GLU A 52 9.216 -8.234 0.431 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.677 -9.837 0.081 1.00 0.00 O ATOM 0 H GLU A 52 7.468 -10.096 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 52 6.079 -9.671 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.756 -8.329 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.680 -7.970 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.945 -10.472 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.298 -10.482 -1.898 1.00 0.00 H new ATOM 848 N LEU A 53 5.747 -7.123 -3.011 1.00 0.00 N ATOM 849 CA LEU A 53 5.138 -5.971 -3.665 1.00 0.00 C ATOM 850 C LEU A 53 5.685 -4.667 -3.092 1.00 0.00 C ATOM 851 O LEU A 53 5.935 -4.561 -1.891 1.00 0.00 O ATOM 852 CB LEU A 53 3.617 -6.013 -3.505 1.00 0.00 C ATOM 853 CG LEU A 53 2.842 -6.684 -4.639 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.587 -7.356 -4.103 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.487 -5.669 -5.716 1.00 0.00 C ATOM 0 H LEU A 53 5.767 -7.068 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 53 5.387 -6.013 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.384 -6.532 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.254 -4.991 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 53 3.477 -7.449 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.048 -7.828 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.865 -8.112 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.948 -6.610 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.936 -6.164 -6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.870 -4.881 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.401 -5.234 -6.121 1.00 0.00 H new ATOM 867 N VAL A 54 5.867 -3.676 -3.958 1.00 0.00 N ATOM 868 CA VAL A 54 6.380 -2.378 -3.538 1.00 0.00 C ATOM 869 C VAL A 54 5.466 -1.249 -4.001 1.00 0.00 C ATOM 870 O VAL A 54 5.443 -0.898 -5.181 1.00 0.00 O ATOM 871 CB VAL A 54 7.799 -2.131 -4.085 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.312 -0.769 -3.646 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.742 -3.236 -3.635 1.00 0.00 C ATOM 0 H VAL A 54 5.667 -3.747 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 54 6.415 -2.390 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 54 7.757 -2.141 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.315 -0.613 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.648 0.009 -4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.341 -0.725 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.740 -3.046 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.781 -3.260 -2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.382 -4.195 -4.006 1.00 0.00 H new ATOM 883 N VAL A 55 4.713 -0.682 -3.063 1.00 0.00 N ATOM 884 CA VAL A 55 3.798 0.409 -3.374 1.00 0.00 C ATOM 885 C VAL A 55 4.456 1.764 -3.137 1.00 0.00 C ATOM 886 O VAL A 55 5.133 1.970 -2.129 1.00 0.00 O ATOM 887 CB VAL A 55 2.513 0.321 -2.529 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.745 1.633 -2.586 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.644 -0.836 -3.000 1.00 0.00 C ATOM 0 H VAL A 55 4.719 -0.961 -2.082 1.00 0.00 H new ATOM 0 HA VAL A 55 3.539 0.314 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 55 2.793 0.137 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.840 1.552 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.369 2.437 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.474 1.851 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.741 -0.883 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.371 -0.684 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.197 -1.770 -2.901 1.00 0.00 H new ATOM 899 N HIS A 56 4.254 2.685 -4.073 1.00 0.00 N ATOM 900 CA HIS A 56 4.827 4.022 -3.967 1.00 0.00 C ATOM 901 C HIS A 56 3.750 5.051 -3.637 1.00 0.00 C ATOM 902 O HIS A 56 3.029 5.515 -4.521 1.00 0.00 O ATOM 903 CB HIS A 56 5.532 4.404 -5.269 1.00 0.00 C ATOM 904 CG HIS A 56 6.694 3.520 -5.602 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.003 3.951 -5.564 1.00 0.00 N ATOM 906 CD2 HIS A 56 6.739 2.221 -5.981 1.00 0.00 C ATOM 907 CE1 HIS A 56 8.803 2.957 -5.905 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.060 1.895 -6.163 1.00 0.00 N ATOM 0 H HIS A 56 3.698 2.530 -4.914 1.00 0.00 H new ATOM 0 HA HIS A 56 5.557 4.013 -3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.812 4.367 -6.087 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.879 5.435 -5.196 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.307 4.892 -5.312 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.893 1.563 -6.115 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.880 3.004 -5.963 1.00 0.00 H new ATOM 916 N LEU A 57 3.646 5.403 -2.360 1.00 0.00 N ATOM 917 CA LEU A 57 2.656 6.377 -1.913 1.00 0.00 C ATOM 918 C LEU A 57 3.031 7.783 -2.369 1.00 0.00 C ATOM 919 O LEU A 57 4.209 8.128 -2.445 1.00 0.00 O ATOM 920 CB LEU A 57 2.527 6.340 -0.389 1.00 0.00 C ATOM 921 CG LEU A 57 2.156 4.987 0.220 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.254 5.041 1.737 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.757 4.573 -0.212 1.00 0.00 C ATOM 0 H LEU A 57 4.235 5.029 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 57 1.697 6.114 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.474 6.664 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.774 7.069 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 57 2.862 4.240 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.987 4.070 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.274 5.292 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.571 5.800 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.510 3.608 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.037 5.320 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.720 4.494 -1.298 1.00 0.00 H new ATOM 935 N ALA A 58 2.019 8.591 -2.671 1.00 0.00 N ATOM 936 CA ALA A 58 2.243 9.961 -3.115 1.00 0.00 C ATOM 937 C ALA A 58 3.020 10.757 -2.072 1.00 0.00 C ATOM 938 O ALA A 58 2.669 10.763 -0.893 1.00 0.00 O ATOM 939 CB ALA A 58 0.915 10.641 -3.418 1.00 0.00 C ATOM 0 H ALA A 58 1.037 8.320 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 58 2.839 9.928 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.097 11.664 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.396 10.092 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.300 10.655 -2.518 1.00 0.00 H new ATOM 945 N GLY A 59 4.080 11.427 -2.515 1.00 0.00 N ATOM 946 CA GLY A 59 4.891 12.216 -1.606 1.00 0.00 C ATOM 947 C GLY A 59 6.156 11.496 -1.185 1.00 0.00 C ATOM 948 O GLY A 59 7.246 12.068 -1.219 1.00 0.00 O ATOM 0 H GLY A 59 4.391 11.437 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.155 13.159 -2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.305 12.462 -0.721 1.00 0.00 H new ATOM 952 N VAL A 60 6.013 10.237 -0.783 1.00 0.00 N ATOM 953 CA VAL A 60 7.154 9.438 -0.352 1.00 0.00 C ATOM 954 C VAL A 60 8.148 9.241 -1.490 1.00 0.00 C ATOM 955 O VAL A 60 7.930 8.425 -2.387 1.00 0.00 O ATOM 956 CB VAL A 60 6.707 8.059 0.170 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.913 7.228 0.581 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.737 8.217 1.331 1.00 0.00 C ATOM 0 H VAL A 60 5.118 9.749 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 60 7.637 9.986 0.457 1.00 0.00 H new ATOM 0 HB VAL A 60 6.191 7.535 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.578 6.257 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.567 7.086 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.459 7.745 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.432 7.233 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.224 8.761 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.859 8.771 0.999 1.00 0.00 H new ATOM 968 N THR A 61 9.244 9.993 -1.449 1.00 0.00 N ATOM 969 CA THR A 61 10.273 9.902 -2.477 1.00 0.00 C ATOM 970 C THR A 61 11.633 9.585 -1.867 1.00 0.00 C ATOM 971 O THR A 61 12.489 8.981 -2.514 1.00 0.00 O ATOM 972 CB THR A 61 10.377 11.210 -3.284 1.00 0.00 C ATOM 973 OG1 THR A 61 10.675 12.303 -2.409 1.00 0.00 O ATOM 974 CG2 THR A 61 9.082 11.490 -4.031 1.00 0.00 C ATOM 0 H THR A 61 9.441 10.672 -0.714 1.00 0.00 H new ATOM 0 HA THR A 61 9.981 9.093 -3.146 1.00 0.00 H new ATOM 0 HB THR A 61 11.181 11.099 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.741 13.130 -2.930 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.180 12.419 -4.593 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.874 10.670 -4.718 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.263 11.583 -3.318 1.00 0.00 H new ATOM 982 N ASP A 62 11.826 9.995 -0.618 1.00 0.00 N ATOM 983 CA ASP A 62 13.083 9.752 0.081 1.00 0.00 C ATOM 984 C ASP A 62 12.925 8.640 1.112 1.00 0.00 C ATOM 985 O ASP A 62 11.849 8.455 1.682 1.00 0.00 O ATOM 986 CB ASP A 62 13.567 11.033 0.763 1.00 0.00 C ATOM 987 CG ASP A 62 12.446 11.774 1.464 1.00 0.00 C ATOM 988 OD1 ASP A 62 12.095 11.386 2.599 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.919 12.743 0.879 1.00 0.00 O ATOM 0 H ASP A 62 11.128 10.497 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 62 13.825 9.438 -0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.343 10.785 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.022 11.687 0.020 1.00 0.00 H new ATOM 994 N ARG A 63 14.004 7.900 1.347 1.00 0.00 N ATOM 995 CA ARG A 63 13.985 6.804 2.308 1.00 0.00 C ATOM 996 C ARG A 63 13.307 7.231 3.607 1.00 0.00 C ATOM 997 O ARG A 63 12.429 6.537 4.120 1.00 0.00 O ATOM 998 CB ARG A 63 15.409 6.325 2.597 1.00 0.00 C ATOM 999 CG ARG A 63 15.470 4.955 3.252 1.00 0.00 C ATOM 1000 CD ARG A 63 16.884 4.395 3.241 1.00 0.00 C ATOM 1001 NE ARG A 63 16.985 3.150 3.999 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.136 2.542 4.262 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.278 3.061 3.831 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.147 1.412 4.957 1.00 0.00 N ATOM 0 H ARG A 63 14.902 8.040 0.885 1.00 0.00 H new ATOM 0 HA ARG A 63 13.414 5.983 1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.970 6.297 1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.903 7.050 3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.113 5.026 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.802 4.270 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.196 4.219 2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.569 5.132 3.661 1.00 0.00 H new ATOM 0 HE ARG A 63 16.125 2.725 4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.274 3.929 3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.160 2.592 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.271 1.009 5.290 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.032 0.946 5.158 1.00 0.00 H new ATOM 1018 N THR A 64 13.722 8.379 4.135 1.00 0.00 N ATOM 1019 CA THR A 64 13.157 8.898 5.374 1.00 0.00 C ATOM 1020 C THR A 64 11.634 8.856 5.344 1.00 0.00 C ATOM 1021 O THR A 64 11.006 8.151 6.135 1.00 0.00 O ATOM 1022 CB THR A 64 13.614 10.345 5.636 1.00 0.00 C ATOM 1023 OG1 THR A 64 15.023 10.376 5.889 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.869 10.942 6.821 1.00 0.00 C ATOM 0 H THR A 64 14.447 8.966 3.723 1.00 0.00 H new ATOM 0 HA THR A 64 13.519 8.258 6.179 1.00 0.00 H new ATOM 0 HB THR A 64 13.391 10.939 4.749 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.306 11.300 6.053 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.209 11.964 6.987 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.799 10.944 6.614 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.065 10.346 7.712 1.00 0.00 H new ATOM 1032 N LEU A 65 11.044 9.614 4.426 1.00 0.00 N ATOM 1033 CA LEU A 65 9.592 9.663 4.292 1.00 0.00 C ATOM 1034 C LEU A 65 8.992 8.262 4.352 1.00 0.00 C ATOM 1035 O LEU A 65 7.982 8.036 5.017 1.00 0.00 O ATOM 1036 CB LEU A 65 9.204 10.341 2.977 1.00 0.00 C ATOM 1037 CG LEU A 65 9.273 11.868 2.963 1.00 0.00 C ATOM 1038 CD1 LEU A 65 9.224 12.392 1.536 1.00 0.00 C ATOM 1039 CD2 LEU A 65 8.141 12.461 3.789 1.00 0.00 C ATOM 0 H LEU A 65 11.549 10.203 3.764 1.00 0.00 H new ATOM 0 HA LEU A 65 9.194 10.244 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.855 9.961 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.187 10.041 2.723 1.00 0.00 H new ATOM 0 HG LEU A 65 10.220 12.173 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.274 13.481 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.069 11.995 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.294 12.076 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.206 13.549 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.184 12.147 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.221 12.113 4.819 1.00 0.00 H new ATOM 1051 N ALA A 66 9.623 7.324 3.653 1.00 0.00 N ATOM 1052 CA ALA A 66 9.154 5.944 3.630 1.00 0.00 C ATOM 1053 C ALA A 66 9.248 5.309 5.014 1.00 0.00 C ATOM 1054 O ALA A 66 8.292 4.700 5.493 1.00 0.00 O ATOM 1055 CB ALA A 66 9.952 5.132 2.620 1.00 0.00 C ATOM 0 H ALA A 66 10.460 7.495 3.095 1.00 0.00 H new ATOM 0 HA ALA A 66 8.106 5.948 3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.591 4.104 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.831 5.566 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.007 5.145 2.895 1.00 0.00 H new ATOM 1061 N GLU A 67 10.407 5.454 5.649 1.00 0.00 N ATOM 1062 CA GLU A 67 10.625 4.892 6.977 1.00 0.00 C ATOM 1063 C GLU A 67 9.535 5.345 7.945 1.00 0.00 C ATOM 1064 O GLU A 67 9.213 4.646 8.904 1.00 0.00 O ATOM 1065 CB GLU A 67 11.999 5.304 7.510 1.00 0.00 C ATOM 1066 CG GLU A 67 13.114 4.348 7.122 1.00 0.00 C ATOM 1067 CD GLU A 67 14.335 4.485 8.010 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.975 5.558 7.977 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.652 3.521 8.738 1.00 0.00 O ATOM 0 H GLU A 67 11.208 5.955 5.266 1.00 0.00 H new ATOM 0 HA GLU A 67 10.586 3.806 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.240 6.300 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.952 5.372 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.744 3.324 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.400 4.531 6.086 1.00 0.00 H new ATOM 1076 N ALA A 68 8.972 6.520 7.684 1.00 0.00 N ATOM 1077 CA ALA A 68 7.918 7.066 8.530 1.00 0.00 C ATOM 1078 C ALA A 68 6.627 6.267 8.384 1.00 0.00 C ATOM 1079 O ALA A 68 5.788 6.254 9.285 1.00 0.00 O ATOM 1080 CB ALA A 68 7.676 8.530 8.193 1.00 0.00 C ATOM 0 H ALA A 68 9.228 7.112 6.894 1.00 0.00 H new ATOM 0 HA ALA A 68 8.244 6.992 9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.886 8.925 8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.592 9.097 8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.376 8.618 7.149 1.00 0.00 H new ATOM 1086 N LEU A 69 6.475 5.602 7.244 1.00 0.00 N ATOM 1087 CA LEU A 69 5.285 4.800 6.979 1.00 0.00 C ATOM 1088 C LEU A 69 5.626 3.314 6.948 1.00 0.00 C ATOM 1089 O LEU A 69 4.901 2.512 6.360 1.00 0.00 O ATOM 1090 CB LEU A 69 4.650 5.217 5.652 1.00 0.00 C ATOM 1091 CG LEU A 69 4.126 6.652 5.580 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.730 7.005 4.154 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.948 6.838 6.524 1.00 0.00 C ATOM 0 H LEU A 69 7.160 5.602 6.489 1.00 0.00 H new ATOM 0 HA LEU A 69 4.573 4.974 7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.387 5.081 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.824 4.539 5.438 1.00 0.00 H new ATOM 0 HG LEU A 69 4.924 7.326 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.360 8.030 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.598 6.913 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.948 6.326 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.588 7.865 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.146 6.155 6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.264 6.628 7.546 1.00 0.00 H new ATOM 1105 N VAL A 70 6.734 2.953 7.588 1.00 0.00 N ATOM 1106 CA VAL A 70 7.170 1.562 7.637 1.00 0.00 C ATOM 1107 C VAL A 70 6.712 0.888 8.924 1.00 0.00 C ATOM 1108 O VAL A 70 6.979 1.375 10.022 1.00 0.00 O ATOM 1109 CB VAL A 70 8.703 1.451 7.529 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.176 0.094 8.028 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.154 1.687 6.095 1.00 0.00 C ATOM 0 H VAL A 70 7.346 3.604 8.080 1.00 0.00 H new ATOM 0 HA VAL A 70 6.715 1.057 6.785 1.00 0.00 H new ATOM 0 HB VAL A 70 9.151 2.220 8.158 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.261 0.034 7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.885 -0.032 9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.721 -0.693 7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.239 1.605 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.698 0.942 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.848 2.684 5.777 1.00 0.00 H new ATOM 1121 N GLY A 71 6.019 -0.238 8.782 1.00 0.00 N ATOM 1122 CA GLY A 71 5.534 -0.962 9.943 1.00 0.00 C ATOM 1123 C GLY A 71 4.025 -0.903 10.074 1.00 0.00 C ATOM 1124 O GLY A 71 3.391 -1.878 10.482 1.00 0.00 O ATOM 0 H GLY A 71 5.785 -0.662 7.884 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.849 -2.003 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.990 -0.548 10.842 1.00 0.00 H new ATOM 1128 N LEU A 72 3.448 0.243 9.731 1.00 0.00 N ATOM 1129 CA LEU A 72 2.003 0.426 9.814 1.00 0.00 C ATOM 1130 C LEU A 72 1.275 -0.557 8.903 1.00 0.00 C ATOM 1131 O LEU A 72 1.898 -1.248 8.096 1.00 0.00 O ATOM 1132 CB LEU A 72 1.628 1.861 9.437 1.00 0.00 C ATOM 1133 CG LEU A 72 2.147 2.957 10.369 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.792 4.332 9.826 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.585 2.774 11.772 1.00 0.00 C ATOM 0 H LEU A 72 3.958 1.059 9.393 1.00 0.00 H new ATOM 0 HA LEU A 72 1.697 0.234 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.000 2.060 8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.541 1.932 9.395 1.00 0.00 H new ATOM 0 HG LEU A 72 3.233 2.879 10.421 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.169 5.099 10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.243 4.462 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.709 4.422 9.744 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.965 3.562 12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.497 2.825 11.738 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.891 1.803 12.163 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.046 -0.614 9.037 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.858 -1.512 8.225 1.00 0.00 C ATOM 1149 C ARG A 73 -1.716 -0.726 7.237 1.00 0.00 C ATOM 1150 O ARG A 73 -2.225 0.348 7.558 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.751 -2.374 9.118 1.00 0.00 C ATOM 1152 CG ARG A 73 -2.136 -1.701 10.426 1.00 0.00 C ATOM 1153 CD ARG A 73 -3.093 -2.562 11.235 1.00 0.00 C ATOM 1154 NE ARG A 73 -3.440 -1.944 12.512 1.00 0.00 N ATOM 1155 CZ ARG A 73 -2.611 -1.883 13.548 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -1.394 -2.400 13.459 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -3.000 -1.303 14.677 1.00 0.00 N ATOM 0 H ARG A 73 -0.577 -0.049 9.700 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.186 -2.159 7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.658 -2.631 8.571 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.236 -3.309 9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.239 -1.503 11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.600 -0.737 10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.001 -2.735 10.658 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.639 -3.537 11.415 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.370 -1.537 12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.092 -2.846 12.593 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.760 -2.352 14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.936 -0.904 14.749 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.363 -1.256 15.472 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.871 -1.268 6.034 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.667 -0.619 4.999 1.00 0.00 C ATOM 1173 C VAL A 74 -4.053 -1.244 4.899 1.00 0.00 C ATOM 1174 O VAL A 74 -4.199 -2.466 4.940 1.00 0.00 O ATOM 1175 CB VAL A 74 -1.977 -0.703 3.624 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.678 0.198 2.619 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.505 -0.339 3.744 1.00 0.00 C ATOM 0 H VAL A 74 -1.456 -2.156 5.752 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.764 0.428 5.285 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.045 -1.730 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.177 0.126 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.717 -0.115 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.644 1.230 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.033 -0.404 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.412 0.678 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.014 -1.030 4.429 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.069 -0.399 4.767 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.446 -0.868 4.662 1.00 0.00 C ATOM 1189 C TYR A 75 -7.021 -0.566 3.282 1.00 0.00 C ATOM 1190 O TYR A 75 -6.547 0.328 2.582 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.312 -0.218 5.742 1.00 0.00 C ATOM 1192 CG TYR A 75 -6.993 -0.692 7.141 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.731 -0.502 7.690 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -7.955 -1.330 7.916 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.436 -0.935 8.969 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.669 -1.765 9.195 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.408 -1.565 9.717 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.118 -1.997 10.991 1.00 0.00 O ATOM 0 H TYR A 75 -4.965 0.615 4.730 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.447 -1.948 4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.184 0.864 5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.361 -0.424 5.528 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.968 -0.008 7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.943 -1.488 7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.449 -0.781 9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.428 -2.259 9.783 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.042 -1.224 11.589 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.047 -1.319 2.898 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.690 -1.131 1.604 1.00 0.00 C ATOM 1210 C ALA A 76 -10.186 -0.881 1.765 1.00 0.00 C ATOM 1211 O ALA A 76 -10.778 -1.240 2.782 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.449 -2.342 0.714 1.00 0.00 C ATOM 0 H ALA A 76 -8.450 -2.065 3.465 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.250 -0.253 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.935 -2.188 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.378 -2.475 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.861 -3.231 1.190 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.790 -0.262 0.755 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.216 0.038 0.787 1.00 0.00 C ATOM 1220 C GLU A 77 -12.949 -0.682 -0.342 1.00 0.00 C ATOM 1221 O GLU A 77 -12.637 -0.495 -1.518 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.446 1.547 0.678 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.702 2.024 1.387 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.063 3.454 1.036 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.139 4.288 0.926 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.267 3.740 0.872 1.00 0.00 O ATOM 0 H GLU A 77 -10.314 0.041 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.614 -0.315 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.584 2.068 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.507 1.822 -0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.533 1.369 1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.559 1.943 2.465 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.924 -1.507 0.025 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.702 -2.255 -0.955 1.00 0.00 C ATOM 1235 C VAL A 78 -15.360 -1.321 -1.964 1.00 0.00 C ATOM 1236 O VAL A 78 -15.719 -1.734 -3.066 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.791 -3.107 -0.276 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.432 -4.054 -1.279 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.207 -3.878 0.899 1.00 0.00 C ATOM 0 H VAL A 78 -14.194 -1.674 0.994 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.006 -2.914 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.565 -2.440 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.199 -4.647 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -16.886 -3.477 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.671 -4.717 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.990 -4.475 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.413 -4.535 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.800 -3.177 1.628 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.513 -0.058 -1.580 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.125 0.937 -2.452 1.00 0.00 C ATOM 1251 C ALA A 79 -15.378 1.040 -3.777 1.00 0.00 C ATOM 1252 O ALA A 79 -15.884 1.609 -4.743 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.166 2.292 -1.760 1.00 0.00 C ATOM 0 H ALA A 79 -15.221 0.300 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.146 0.619 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.625 3.025 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.751 2.215 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.151 2.608 -1.518 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.171 0.487 -3.814 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.353 0.517 -5.021 1.00 0.00 C ATOM 1261 C ASP A 80 -13.324 -0.853 -5.691 1.00 0.00 C ATOM 1262 O ASP A 80 -13.417 -0.960 -6.915 1.00 0.00 O ATOM 1263 CB ASP A 80 -11.929 0.965 -4.687 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.030 0.993 -5.907 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -10.428 -0.054 -6.224 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -10.927 2.062 -6.546 1.00 0.00 O ATOM 0 H ASP A 80 -13.737 0.012 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.797 1.232 -5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.959 1.958 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.505 0.292 -3.942 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.193 -1.899 -4.883 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.151 -3.263 -5.397 1.00 0.00 C ATOM 1273 C LEU A 81 -14.187 -3.462 -6.499 1.00 0.00 C ATOM 1274 O LEU A 81 -15.226 -2.804 -6.533 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.394 -4.264 -4.266 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.251 -4.436 -3.265 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.599 -5.499 -2.234 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.959 -4.793 -3.986 1.00 0.00 C ATOM 0 H LEU A 81 -13.114 -1.828 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.161 -3.435 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.285 -3.955 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.612 -5.236 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.104 -3.489 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.774 -5.607 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.499 -5.202 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.774 -6.450 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.157 -4.911 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.093 -5.726 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.700 -3.997 -4.685 1.00 0.00 H new