USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=8 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 16 LYS NZ :NH3+ -147:sc= 0.0349 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot -86:sc= 0.281 USER MOD Set 1.3: A 56 HIS : no HE2:sc= -4.07! C(o=-3.7!,f=-3.9!) USER MOD Single : A 13 TYR OH : rot 180:sc= 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= -1.32 K(o=-1.3,f=0) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.927 -0.670 5.943 1.00 0.00 N ATOM 43 CA LEU A 3 -12.576 -0.948 5.469 1.00 0.00 C ATOM 44 C LEU A 3 -12.119 -2.335 5.910 1.00 0.00 C ATOM 45 O LEU A 3 -12.717 -2.945 6.797 1.00 0.00 O ATOM 46 CB LEU A 3 -11.603 0.112 5.988 1.00 0.00 C ATOM 47 CG LEU A 3 -12.005 1.567 5.746 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.180 2.501 6.619 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.844 1.927 4.276 1.00 0.00 C ATOM 0 HA LEU A 3 -12.587 -0.919 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.475 -0.035 7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.631 -0.057 5.525 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.055 1.684 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.480 3.532 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.345 2.259 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.123 2.382 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.135 2.966 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.803 1.794 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.479 1.279 3.671 1.00 0.00 H new ATOM 61 N VAL A 4 -11.052 -2.827 5.287 1.00 0.00 N ATOM 62 CA VAL A 4 -10.512 -4.140 5.618 1.00 0.00 C ATOM 63 C VAL A 4 -9.017 -4.208 5.328 1.00 0.00 C ATOM 64 O VAL A 4 -8.541 -3.649 4.340 1.00 0.00 O ATOM 65 CB VAL A 4 -11.227 -5.255 4.834 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.674 -5.383 5.286 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.149 -4.988 3.338 1.00 0.00 C ATOM 0 H VAL A 4 -10.545 -2.336 4.551 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.680 -4.292 6.684 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.723 -6.200 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.163 -6.176 4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.703 -5.624 6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.194 -4.441 5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.659 -5.786 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.627 -4.035 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.104 -4.952 3.029 1.00 0.00 H new ATOM 77 N GLU A 5 -8.282 -4.897 6.195 1.00 0.00 N ATOM 78 CA GLU A 5 -6.839 -5.038 6.031 1.00 0.00 C ATOM 79 C GLU A 5 -6.511 -5.871 4.795 1.00 0.00 C ATOM 80 O GLU A 5 -6.997 -6.992 4.643 1.00 0.00 O ATOM 81 CB GLU A 5 -6.223 -5.684 7.273 1.00 0.00 C ATOM 82 CG GLU A 5 -4.711 -5.816 7.204 1.00 0.00 C ATOM 83 CD GLU A 5 -4.133 -6.545 8.401 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.814 -7.449 8.929 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.002 -6.211 8.811 1.00 0.00 O ATOM 0 H GLU A 5 -8.661 -5.366 7.018 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.415 -4.042 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.488 -5.092 8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.660 -6.673 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.438 -6.348 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.266 -4.823 7.139 1.00 0.00 H new ATOM 92 N ILE A 6 -5.685 -5.314 3.916 1.00 0.00 N ATOM 93 CA ILE A 6 -5.292 -6.005 2.694 1.00 0.00 C ATOM 94 C ILE A 6 -3.819 -6.399 2.735 1.00 0.00 C ATOM 95 O ILE A 6 -3.442 -7.480 2.286 1.00 0.00 O ATOM 96 CB ILE A 6 -5.544 -5.135 1.449 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.938 -3.743 1.641 1.00 0.00 C ATOM 98 CG2 ILE A 6 -7.036 -5.035 1.167 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.897 -2.922 0.371 1.00 0.00 C ATOM 0 H ILE A 6 -5.275 -4.387 4.027 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.905 -6.904 2.629 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.062 -5.605 0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.515 -3.205 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.925 -3.847 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.199 -4.417 0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.441 -6.032 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.539 -4.585 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.456 -1.948 0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.296 -3.439 -0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.910 -2.787 -0.008 1.00 0.00 H new ATOM 111 N GLY A 7 -2.990 -5.513 3.279 1.00 0.00 N ATOM 112 CA GLY A 7 -1.568 -5.787 3.371 1.00 0.00 C ATOM 113 C GLY A 7 -0.880 -4.934 4.419 1.00 0.00 C ATOM 114 O GLY A 7 -1.513 -4.097 5.062 1.00 0.00 O ATOM 0 H GLY A 7 -3.278 -4.611 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.419 -6.840 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.103 -5.610 2.401 1.00 0.00 H new ATOM 118 N ARG A 8 0.420 -5.148 4.593 1.00 0.00 N ATOM 119 CA ARG A 8 1.194 -4.395 5.572 1.00 0.00 C ATOM 120 C ARG A 8 2.589 -4.082 5.039 1.00 0.00 C ATOM 121 O ARG A 8 3.220 -4.918 4.393 1.00 0.00 O ATOM 122 CB ARG A 8 1.302 -5.180 6.881 1.00 0.00 C ATOM 123 CG ARG A 8 2.226 -4.537 7.903 1.00 0.00 C ATOM 124 CD ARG A 8 2.340 -5.383 9.161 1.00 0.00 C ATOM 125 NE ARG A 8 3.328 -6.448 9.017 1.00 0.00 N ATOM 126 CZ ARG A 8 3.463 -7.448 9.882 1.00 0.00 C ATOM 127 NH1 ARG A 8 2.675 -7.518 10.946 1.00 0.00 N ATOM 128 NH2 ARG A 8 4.386 -8.379 9.682 1.00 0.00 N ATOM 0 H ARG A 8 0.959 -5.837 4.069 1.00 0.00 H new ATOM 0 HA ARG A 8 0.676 -3.455 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.308 -5.282 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.660 -6.186 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.215 -4.399 7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.851 -3.547 8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.614 -4.746 10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.368 -5.819 9.394 1.00 0.00 H new ATOM 0 HE ARG A 8 3.949 -6.423 8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.964 -6.804 11.102 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.780 -8.286 11.609 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.993 -8.328 8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.489 -9.146 10.346 1.00 0.00 H new ATOM 142 N PHE A 9 3.064 -2.871 5.313 1.00 0.00 N ATOM 143 CA PHE A 9 4.383 -2.447 4.860 1.00 0.00 C ATOM 144 C PHE A 9 5.481 -3.251 5.551 1.00 0.00 C ATOM 145 O PHE A 9 5.329 -3.673 6.696 1.00 0.00 O ATOM 146 CB PHE A 9 4.582 -0.954 5.130 1.00 0.00 C ATOM 147 CG PHE A 9 3.657 -0.073 4.341 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.431 -0.313 2.995 1.00 0.00 C ATOM 149 CD2 PHE A 9 3.012 0.994 4.945 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.580 0.497 2.267 1.00 0.00 C ATOM 151 CE2 PHE A 9 2.159 1.807 4.222 1.00 0.00 C ATOM 152 CZ PHE A 9 1.942 1.557 2.881 1.00 0.00 C ATOM 0 H PHE A 9 2.555 -2.166 5.847 1.00 0.00 H new ATOM 0 HA PHE A 9 4.446 -2.627 3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.434 -0.762 6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.613 -0.685 4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.925 -1.142 2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.178 1.193 5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.414 0.301 1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.663 2.636 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.275 2.189 2.314 1.00 0.00 H new ATOM 162 N GLY A 10 6.587 -3.460 4.844 1.00 0.00 N ATOM 163 CA GLY A 10 7.694 -4.213 5.404 1.00 0.00 C ATOM 164 C GLY A 10 8.951 -3.378 5.546 1.00 0.00 C ATOM 165 O GLY A 10 9.213 -2.814 6.608 1.00 0.00 O ATOM 0 H GLY A 10 6.736 -3.121 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.407 -4.602 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.903 -5.073 4.768 1.00 0.00 H new ATOM 169 N ALA A 11 9.731 -3.298 4.473 1.00 0.00 N ATOM 170 CA ALA A 11 10.967 -2.526 4.483 1.00 0.00 C ATOM 171 C ALA A 11 10.926 -1.410 3.444 1.00 0.00 C ATOM 172 O ALA A 11 10.276 -1.521 2.405 1.00 0.00 O ATOM 173 CB ALA A 11 12.161 -3.436 4.236 1.00 0.00 C ATOM 0 H ALA A 11 9.529 -3.759 3.586 1.00 0.00 H new ATOM 0 HA ALA A 11 11.071 -2.068 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.077 -2.845 4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.209 -4.194 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.054 -3.922 3.266 1.00 0.00 H new ATOM 179 N PRO A 12 11.635 -0.308 3.730 1.00 0.00 N ATOM 180 CA PRO A 12 11.695 0.850 2.832 1.00 0.00 C ATOM 181 C PRO A 12 12.480 0.556 1.559 1.00 0.00 C ATOM 182 O PRO A 12 13.677 0.270 1.608 1.00 0.00 O ATOM 183 CB PRO A 12 12.412 1.911 3.670 1.00 0.00 C ATOM 184 CG PRO A 12 13.224 1.137 4.649 1.00 0.00 C ATOM 185 CD PRO A 12 12.433 -0.107 4.951 1.00 0.00 C ATOM 0 HA PRO A 12 10.705 1.154 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.042 2.547 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.700 2.564 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.201 0.887 4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.400 1.717 5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.084 -0.958 5.151 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.799 0.023 5.828 1.00 0.00 H new ATOM 193 N TYR A 13 11.800 0.627 0.420 1.00 0.00 N ATOM 194 CA TYR A 13 12.434 0.367 -0.867 1.00 0.00 C ATOM 195 C TYR A 13 13.586 1.337 -1.113 1.00 0.00 C ATOM 196 O TYR A 13 13.836 2.237 -0.311 1.00 0.00 O ATOM 197 CB TYR A 13 11.409 0.477 -1.996 1.00 0.00 C ATOM 198 CG TYR A 13 11.850 -0.186 -3.281 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.867 -1.570 -3.402 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.251 0.572 -4.375 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.270 -2.180 -4.574 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.654 -0.030 -5.552 1.00 0.00 C ATOM 203 CZ TYR A 13 12.662 -1.406 -5.646 1.00 0.00 C ATOM 204 OH TYR A 13 13.064 -2.009 -6.816 1.00 0.00 O ATOM 0 H TYR A 13 10.809 0.863 0.362 1.00 0.00 H new ATOM 0 HA TYR A 13 12.835 -0.646 -0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.471 0.028 -1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.207 1.530 -2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.560 -2.180 -2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.248 1.650 -4.304 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.278 -3.257 -4.650 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.961 0.574 -6.393 1.00 0.00 H new ATOM 0 HH TYR A 13 13.306 -1.322 -7.472 1.00 0.00 H new ATOM 214 N ALA A 14 14.282 1.148 -2.229 1.00 0.00 N ATOM 215 CA ALA A 14 15.404 2.007 -2.584 1.00 0.00 C ATOM 216 C ALA A 14 15.096 3.469 -2.276 1.00 0.00 C ATOM 217 O ALA A 14 13.937 3.844 -2.094 1.00 0.00 O ATOM 218 CB ALA A 14 15.753 1.839 -4.056 1.00 0.00 C ATOM 0 H ALA A 14 14.088 0.407 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 14 16.262 1.708 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.593 2.487 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.025 0.801 -4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.892 2.109 -4.667 1.00 0.00 H new ATOM 224 N LEU A 15 16.140 4.289 -2.218 1.00 0.00 N ATOM 225 CA LEU A 15 15.981 5.710 -1.931 1.00 0.00 C ATOM 226 C LEU A 15 14.824 6.301 -2.731 1.00 0.00 C ATOM 227 O LEU A 15 14.180 7.257 -2.299 1.00 0.00 O ATOM 228 CB LEU A 15 17.274 6.463 -2.249 1.00 0.00 C ATOM 229 CG LEU A 15 18.563 5.836 -1.718 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.766 6.687 -2.096 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.487 5.658 -0.209 1.00 0.00 C ATOM 0 H LEU A 15 17.105 3.994 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 15 15.757 5.818 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.359 6.558 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.192 7.472 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 15 18.681 4.853 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.674 6.225 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.831 6.763 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.656 7.683 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.413 5.210 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.345 6.629 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.649 5.007 0.039 1.00 0.00 H new ATOM 243 N LYS A 16 14.565 5.725 -3.900 1.00 0.00 N ATOM 244 CA LYS A 16 13.484 6.191 -4.761 1.00 0.00 C ATOM 245 C LYS A 16 12.272 6.609 -3.934 1.00 0.00 C ATOM 246 O LYS A 16 11.489 7.461 -4.350 1.00 0.00 O ATOM 247 CB LYS A 16 13.086 5.096 -5.753 1.00 0.00 C ATOM 248 CG LYS A 16 13.986 5.025 -6.974 1.00 0.00 C ATOM 249 CD LYS A 16 13.247 4.469 -8.180 1.00 0.00 C ATOM 250 CE LYS A 16 13.002 2.974 -8.042 1.00 0.00 C ATOM 251 NZ LYS A 16 11.839 2.526 -8.857 1.00 0.00 N ATOM 0 H LYS A 16 15.089 4.934 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 16 13.842 7.060 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.102 4.133 -5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.060 5.267 -6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.366 6.020 -7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.850 4.398 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.294 4.986 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.825 4.662 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.894 2.430 -8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.827 2.730 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.357 1.742 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.175 3.317 -8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.171 2.206 -9.789 1.00 0.00 H new ATOM 265 N GLY A 17 12.125 6.003 -2.760 1.00 0.00 N ATOM 266 CA GLY A 17 11.007 6.326 -1.893 1.00 0.00 C ATOM 267 C GLY A 17 9.924 5.266 -1.924 1.00 0.00 C ATOM 268 O GLY A 17 8.797 5.507 -1.493 1.00 0.00 O ATOM 0 H GLY A 17 12.760 5.294 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.366 6.444 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.582 7.284 -2.194 1.00 0.00 H new ATOM 272 N GLY A 18 10.266 4.088 -2.436 1.00 0.00 N ATOM 273 CA GLY A 18 9.303 3.005 -2.514 1.00 0.00 C ATOM 274 C GLY A 18 9.138 2.280 -1.193 1.00 0.00 C ATOM 275 O GLY A 18 10.055 2.254 -0.371 1.00 0.00 O ATOM 0 H GLY A 18 11.193 3.864 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.338 3.403 -2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.620 2.295 -3.278 1.00 0.00 H new ATOM 279 N LEU A 19 7.965 1.691 -0.986 1.00 0.00 N ATOM 280 CA LEU A 19 7.682 0.964 0.247 1.00 0.00 C ATOM 281 C LEU A 19 7.202 -0.453 -0.055 1.00 0.00 C ATOM 282 O LEU A 19 6.242 -0.648 -0.800 1.00 0.00 O ATOM 283 CB LEU A 19 6.628 1.706 1.070 1.00 0.00 C ATOM 284 CG LEU A 19 7.129 2.903 1.879 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.961 3.757 2.348 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.960 2.435 3.065 1.00 0.00 C ATOM 0 H LEU A 19 7.195 1.703 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 19 8.605 0.901 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.845 2.051 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.166 0.996 1.757 1.00 0.00 H new ATOM 0 HG LEU A 19 7.763 3.513 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.337 4.604 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.407 4.122 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.301 3.158 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.308 3.300 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.350 1.803 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.818 1.867 2.706 1.00 0.00 H new ATOM 298 N ARG A 20 7.877 -1.437 0.529 1.00 0.00 N ATOM 299 CA ARG A 20 7.519 -2.836 0.324 1.00 0.00 C ATOM 300 C ARG A 20 6.178 -3.156 0.978 1.00 0.00 C ATOM 301 O ARG A 20 6.094 -3.326 2.194 1.00 0.00 O ATOM 302 CB ARG A 20 8.606 -3.751 0.890 1.00 0.00 C ATOM 303 CG ARG A 20 9.794 -3.933 -0.040 1.00 0.00 C ATOM 304 CD ARG A 20 11.015 -4.446 0.709 1.00 0.00 C ATOM 305 NE ARG A 20 12.230 -4.351 -0.096 1.00 0.00 N ATOM 306 CZ ARG A 20 12.578 -5.251 -1.009 1.00 0.00 C ATOM 307 NH1 ARG A 20 11.807 -6.306 -1.232 1.00 0.00 N ATOM 308 NH2 ARG A 20 13.700 -5.096 -1.701 1.00 0.00 N ATOM 0 H ARG A 20 8.675 -1.292 1.148 1.00 0.00 H new ATOM 0 HA ARG A 20 7.431 -3.009 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.956 -3.342 1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.171 -4.727 1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.532 -4.633 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.032 -2.983 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.143 -3.874 1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.853 -5.484 0.999 1.00 0.00 H new ATOM 0 HE ARG A 20 12.845 -3.550 0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.944 -6.428 -0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.077 -6.996 -1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.296 -4.285 -1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.967 -5.787 -2.402 1.00 0.00 H new ATOM 322 N PHE A 21 5.132 -3.235 0.162 1.00 0.00 N ATOM 323 CA PHE A 21 3.794 -3.533 0.661 1.00 0.00 C ATOM 324 C PHE A 21 3.397 -4.968 0.330 1.00 0.00 C ATOM 325 O PHE A 21 3.385 -5.367 -0.835 1.00 0.00 O ATOM 326 CB PHE A 21 2.776 -2.559 0.064 1.00 0.00 C ATOM 327 CG PHE A 21 1.355 -3.034 0.178 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.660 -2.902 1.369 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.716 -3.613 -0.907 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.648 -3.337 1.477 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.592 -4.050 -0.805 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.274 -3.913 0.388 1.00 0.00 C ATOM 0 H PHE A 21 5.185 -3.097 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 21 3.804 -3.419 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.870 -1.595 0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.013 -2.397 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.146 -2.454 2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.245 -3.724 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.179 -3.227 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.080 -4.498 -1.658 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.295 -4.255 0.470 1.00 0.00 H new ATOM 342 N ARG A 22 3.074 -5.740 1.363 1.00 0.00 N ATOM 343 CA ARG A 22 2.678 -7.131 1.182 1.00 0.00 C ATOM 344 C ARG A 22 1.198 -7.321 1.499 1.00 0.00 C ATOM 345 O ARG A 22 0.815 -7.481 2.657 1.00 0.00 O ATOM 346 CB ARG A 22 3.522 -8.043 2.075 1.00 0.00 C ATOM 347 CG ARG A 22 4.904 -8.337 1.512 1.00 0.00 C ATOM 348 CD ARG A 22 5.694 -9.258 2.429 1.00 0.00 C ATOM 349 NE ARG A 22 5.031 -10.546 2.614 1.00 0.00 N ATOM 350 CZ ARG A 22 5.540 -11.538 3.336 1.00 0.00 C ATOM 351 NH1 ARG A 22 6.712 -11.389 3.939 1.00 0.00 N ATOM 352 NH2 ARG A 22 4.877 -12.680 3.458 1.00 0.00 N ATOM 0 H ARG A 22 3.079 -5.425 2.333 1.00 0.00 H new ATOM 0 HA ARG A 22 2.846 -7.397 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.629 -7.579 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.992 -8.984 2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.807 -8.797 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.449 -7.403 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.688 -9.419 2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.828 -8.777 3.398 1.00 0.00 H new ATOM 0 HE ARG A 22 4.127 -10.692 2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.224 -10.511 3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.101 -12.152 4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.975 -12.798 2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.269 -13.441 4.013 1.00 0.00 H new ATOM 366 N GLY A 23 0.368 -7.302 0.460 1.00 0.00 N ATOM 367 CA GLY A 23 -1.061 -7.472 0.647 1.00 0.00 C ATOM 368 C GLY A 23 -1.698 -8.289 -0.459 1.00 0.00 C ATOM 369 O GLY A 23 -1.083 -8.522 -1.499 1.00 0.00 O ATOM 0 H GLY A 23 0.660 -7.172 -0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.243 -7.959 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.537 -6.493 0.691 1.00 0.00 H new ATOM 373 N GLU A 24 -2.933 -8.726 -0.233 1.00 0.00 N ATOM 374 CA GLU A 24 -3.651 -9.525 -1.220 1.00 0.00 C ATOM 375 C GLU A 24 -3.365 -9.029 -2.634 1.00 0.00 C ATOM 376 O GLU A 24 -3.016 -7.869 -2.854 1.00 0.00 O ATOM 377 CB GLU A 24 -5.156 -9.479 -0.946 1.00 0.00 C ATOM 378 CG GLU A 24 -5.665 -8.098 -0.571 1.00 0.00 C ATOM 379 CD GLU A 24 -6.919 -8.149 0.281 1.00 0.00 C ATOM 380 OE1 GLU A 24 -6.890 -8.808 1.341 1.00 0.00 O ATOM 381 OE2 GLU A 24 -7.929 -7.530 -0.114 1.00 0.00 O ATOM 0 H GLU A 24 -3.456 -8.541 0.623 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.304 -10.555 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.689 -9.825 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.391 -10.175 -0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.885 -7.562 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.870 -7.532 -1.479 1.00 0.00 H new ATOM 388 N PRO A 25 -3.514 -9.929 -3.618 1.00 0.00 N ATOM 389 CA PRO A 25 -3.277 -9.607 -5.028 1.00 0.00 C ATOM 390 C PRO A 25 -4.336 -8.667 -5.594 1.00 0.00 C ATOM 391 O PRO A 25 -4.098 -7.970 -6.581 1.00 0.00 O ATOM 392 CB PRO A 25 -3.348 -10.970 -5.720 1.00 0.00 C ATOM 393 CG PRO A 25 -4.203 -11.803 -4.829 1.00 0.00 C ATOM 394 CD PRO A 25 -3.927 -11.330 -3.428 1.00 0.00 C ATOM 0 HA PRO A 25 -2.329 -9.088 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.780 -10.886 -6.717 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.356 -11.406 -5.838 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.257 -11.686 -5.080 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.965 -12.861 -4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.812 -11.406 -2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.143 -11.919 -2.952 1.00 0.00 H new ATOM 402 N VAL A 26 -5.506 -8.651 -4.963 1.00 0.00 N ATOM 403 CA VAL A 26 -6.601 -7.795 -5.403 1.00 0.00 C ATOM 404 C VAL A 26 -6.199 -6.325 -5.362 1.00 0.00 C ATOM 405 O VAL A 26 -6.870 -5.471 -5.941 1.00 0.00 O ATOM 406 CB VAL A 26 -7.855 -7.997 -4.533 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.700 -7.286 -3.198 1.00 0.00 C ATOM 408 CG2 VAL A 26 -9.096 -7.508 -5.266 1.00 0.00 C ATOM 0 H VAL A 26 -5.720 -9.222 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.831 -8.078 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.972 -9.063 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.596 -7.440 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.835 -7.688 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.557 -6.219 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.973 -7.658 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.990 -6.447 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.215 -8.068 -6.194 1.00 0.00 H new ATOM 418 N VAL A 27 -5.099 -6.036 -4.674 1.00 0.00 N ATOM 419 CA VAL A 27 -4.606 -4.669 -4.559 1.00 0.00 C ATOM 420 C VAL A 27 -4.150 -4.133 -5.911 1.00 0.00 C ATOM 421 O VAL A 27 -3.967 -2.928 -6.084 1.00 0.00 O ATOM 422 CB VAL A 27 -3.436 -4.576 -3.561 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.130 -4.978 -4.230 1.00 0.00 C ATOM 424 CG2 VAL A 27 -3.339 -3.173 -2.984 1.00 0.00 C ATOM 0 H VAL A 27 -4.532 -6.731 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.435 -4.064 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.625 -5.269 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.315 -4.906 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.206 -6.004 -4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.932 -4.312 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.507 -3.125 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.174 -2.459 -3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.266 -2.928 -2.466 1.00 0.00 H new ATOM 434 N LEU A 28 -3.967 -5.037 -6.868 1.00 0.00 N ATOM 435 CA LEU A 28 -3.533 -4.655 -8.207 1.00 0.00 C ATOM 436 C LEU A 28 -4.673 -4.008 -8.986 1.00 0.00 C ATOM 437 O LEU A 28 -4.503 -3.606 -10.138 1.00 0.00 O ATOM 438 CB LEU A 28 -3.014 -5.879 -8.964 1.00 0.00 C ATOM 439 CG LEU A 28 -1.873 -6.647 -8.296 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.350 -7.737 -9.219 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.751 -5.699 -7.899 1.00 0.00 C ATOM 0 H LEU A 28 -4.112 -6.039 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.728 -3.927 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.846 -6.566 -9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.680 -5.557 -9.950 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.260 -7.119 -7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.539 -8.273 -8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.155 -8.433 -9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.981 -7.287 -10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.052 -6.264 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.367 -5.198 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.133 -4.955 -7.200 1.00 0.00 H new ATOM 453 N HIS A 29 -5.836 -3.908 -8.350 1.00 0.00 N ATOM 454 CA HIS A 29 -7.005 -3.306 -8.982 1.00 0.00 C ATOM 455 C HIS A 29 -7.427 -2.037 -8.247 1.00 0.00 C ATOM 456 O HIS A 29 -8.472 -1.456 -8.542 1.00 0.00 O ATOM 457 CB HIS A 29 -8.164 -4.302 -9.012 1.00 0.00 C ATOM 458 CG HIS A 29 -7.906 -5.496 -9.878 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.428 -5.632 -11.147 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.175 -6.612 -9.652 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.031 -6.781 -11.664 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.268 -7.395 -10.777 1.00 0.00 N ATOM 0 H HIS A 29 -5.994 -4.236 -7.397 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.738 -3.040 -10.005 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.369 -4.638 -7.996 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.060 -3.793 -9.367 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.621 -6.844 -8.754 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.287 -7.155 -12.645 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.821 -8.303 -10.906 1.00 0.00 H new ATOM 470 N LEU A 30 -6.609 -1.614 -7.290 1.00 0.00 N ATOM 471 CA LEU A 30 -6.898 -0.414 -6.512 1.00 0.00 C ATOM 472 C LEU A 30 -6.111 0.781 -7.042 1.00 0.00 C ATOM 473 O LEU A 30 -5.233 0.630 -7.891 1.00 0.00 O ATOM 474 CB LEU A 30 -6.564 -0.646 -5.038 1.00 0.00 C ATOM 475 CG LEU A 30 -7.524 -1.551 -4.266 1.00 0.00 C ATOM 476 CD1 LEU A 30 -7.070 -1.705 -2.823 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.941 -1.000 -4.326 1.00 0.00 C ATOM 0 H LEU A 30 -5.741 -2.084 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.962 -0.196 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.564 -1.075 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.528 0.322 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.519 -2.536 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.766 -2.353 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.074 -2.146 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.045 -0.727 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.611 -1.657 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.963 -0.003 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.266 -0.944 -5.365 1.00 0.00 H new ATOM 489 N GLU A 31 -6.431 1.966 -6.533 1.00 0.00 N ATOM 490 CA GLU A 31 -5.753 3.186 -6.955 1.00 0.00 C ATOM 491 C GLU A 31 -5.258 3.979 -5.748 1.00 0.00 C ATOM 492 O GLU A 31 -4.248 4.678 -5.823 1.00 0.00 O ATOM 493 CB GLU A 31 -6.691 4.053 -7.798 1.00 0.00 C ATOM 494 CG GLU A 31 -6.773 3.623 -9.253 1.00 0.00 C ATOM 495 CD GLU A 31 -8.093 3.996 -9.898 1.00 0.00 C ATOM 496 OE1 GLU A 31 -8.312 5.199 -10.152 1.00 0.00 O ATOM 497 OE2 GLU A 31 -8.909 3.084 -10.148 1.00 0.00 O ATOM 0 H GLU A 31 -7.155 2.107 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.892 2.901 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.690 4.023 -7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.354 5.089 -7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.958 4.084 -9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.634 2.544 -9.317 1.00 0.00 H new ATOM 504 N ARG A 32 -5.977 3.863 -4.637 1.00 0.00 N ATOM 505 CA ARG A 32 -5.614 4.570 -3.414 1.00 0.00 C ATOM 506 C ARG A 32 -5.429 3.593 -2.256 1.00 0.00 C ATOM 507 O ARG A 32 -5.747 2.409 -2.372 1.00 0.00 O ATOM 508 CB ARG A 32 -6.685 5.602 -3.058 1.00 0.00 C ATOM 509 CG ARG A 32 -7.924 4.999 -2.418 1.00 0.00 C ATOM 510 CD ARG A 32 -8.855 6.076 -1.883 1.00 0.00 C ATOM 511 NE ARG A 32 -9.492 6.832 -2.957 1.00 0.00 N ATOM 512 CZ ARG A 32 -10.603 7.542 -2.797 1.00 0.00 C ATOM 513 NH1 ARG A 32 -11.197 7.593 -1.613 1.00 0.00 N ATOM 514 NH2 ARG A 32 -11.123 8.203 -3.824 1.00 0.00 N ATOM 0 H ARG A 32 -6.815 3.286 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.669 5.084 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.256 6.338 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.977 6.136 -3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.453 4.390 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.629 4.335 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.622 5.615 -1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.292 6.757 -1.245 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.060 6.814 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.801 7.086 -0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.050 8.139 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.669 8.166 -4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.976 8.748 -3.700 1.00 0.00 H new ATOM 528 N VAL A 33 -4.912 4.097 -1.140 1.00 0.00 N ATOM 529 CA VAL A 33 -4.686 3.270 0.039 1.00 0.00 C ATOM 530 C VAL A 33 -4.886 4.072 1.320 1.00 0.00 C ATOM 531 O VAL A 33 -4.975 5.300 1.288 1.00 0.00 O ATOM 532 CB VAL A 33 -3.268 2.669 0.039 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.108 1.677 -1.104 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.222 3.771 -0.050 1.00 0.00 C ATOM 0 H VAL A 33 -4.642 5.074 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.416 2.461 0.003 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.119 2.133 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.100 1.263 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.833 0.871 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.276 2.186 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.226 3.328 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.367 4.336 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.323 4.439 0.806 1.00 0.00 H new ATOM 544 N TYR A 34 -4.954 3.371 2.446 1.00 0.00 N ATOM 545 CA TYR A 34 -5.145 4.018 3.738 1.00 0.00 C ATOM 546 C TYR A 34 -4.049 3.611 4.719 1.00 0.00 C ATOM 547 O TYR A 34 -3.914 2.438 5.065 1.00 0.00 O ATOM 548 CB TYR A 34 -6.517 3.661 4.313 1.00 0.00 C ATOM 549 CG TYR A 34 -6.737 4.172 5.719 1.00 0.00 C ATOM 550 CD1 TYR A 34 -6.079 5.307 6.177 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.603 3.521 6.589 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.276 5.777 7.461 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.807 3.985 7.874 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.141 5.113 8.306 1.00 0.00 C ATOM 555 OH TYR A 34 -7.341 5.579 9.585 1.00 0.00 O ATOM 0 H TYR A 34 -4.880 2.355 2.490 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.091 5.096 3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.291 4.068 3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.633 2.577 4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.402 5.831 5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.126 2.637 6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.755 6.660 7.802 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.484 3.467 8.537 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.980 4.998 10.048 1.00 0.00 H new ATOM 565 N VAL A 35 -3.268 4.591 5.163 1.00 0.00 N ATOM 566 CA VAL A 35 -2.185 4.337 6.105 1.00 0.00 C ATOM 567 C VAL A 35 -2.699 4.307 7.539 1.00 0.00 C ATOM 568 O VAL A 35 -2.838 5.348 8.181 1.00 0.00 O ATOM 569 CB VAL A 35 -1.080 5.404 5.990 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.104 5.045 6.875 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.643 5.564 4.541 1.00 0.00 C ATOM 0 H VAL A 35 -3.365 5.568 4.885 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.768 3.363 5.852 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.483 6.357 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.874 5.810 6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.223 4.985 7.913 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.510 4.082 6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.138 6.322 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.258 4.614 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.496 5.871 3.936 1.00 0.00 H new ATOM 581 N GLU A 36 -2.980 3.106 8.037 1.00 0.00 N ATOM 582 CA GLU A 36 -3.480 2.941 9.396 1.00 0.00 C ATOM 583 C GLU A 36 -2.481 3.486 10.413 1.00 0.00 C ATOM 584 O GLU A 36 -1.503 2.823 10.756 1.00 0.00 O ATOM 585 CB GLU A 36 -3.763 1.465 9.684 1.00 0.00 C ATOM 586 CG GLU A 36 -4.091 1.181 11.140 1.00 0.00 C ATOM 587 CD GLU A 36 -5.544 1.458 11.475 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.367 1.526 10.539 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.857 1.606 12.675 1.00 0.00 O ATOM 0 H GLU A 36 -2.870 2.234 7.519 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.408 3.505 9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.595 1.135 9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.894 0.874 9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.863 0.139 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.452 1.791 11.778 1.00 0.00 H new ATOM 596 N GLY A 37 -2.735 4.701 10.892 1.00 0.00 N ATOM 597 CA GLY A 37 -1.849 5.315 11.863 1.00 0.00 C ATOM 598 C GLY A 37 -1.714 6.811 11.660 1.00 0.00 C ATOM 599 O GLY A 37 -1.681 7.576 12.624 1.00 0.00 O ATOM 0 H GLY A 37 -3.538 5.270 10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.225 5.120 12.867 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.865 4.852 11.796 1.00 0.00 H new ATOM 603 N HIS A 38 -1.633 7.230 10.401 1.00 0.00 N ATOM 604 CA HIS A 38 -1.499 8.645 10.073 1.00 0.00 C ATOM 605 C HIS A 38 -2.717 9.142 9.300 1.00 0.00 C ATOM 606 O HIS A 38 -3.600 9.789 9.862 1.00 0.00 O ATOM 607 CB HIS A 38 -0.229 8.883 9.255 1.00 0.00 C ATOM 608 CG HIS A 38 1.033 8.693 10.039 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.230 9.285 9.694 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.280 7.973 11.159 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.158 8.935 10.566 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.608 8.140 11.465 1.00 0.00 N ATOM 0 H HIS A 38 -1.658 6.610 9.591 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.431 9.204 11.006 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.223 8.204 8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.249 9.897 8.855 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.566 7.378 11.709 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.192 9.246 10.547 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.091 7.718 12.258 1.00 0.00 H new ATOM 620 N GLY A 39 -2.757 8.835 8.007 1.00 0.00 N ATOM 621 CA GLY A 39 -3.870 9.259 7.178 1.00 0.00 C ATOM 622 C GLY A 39 -3.971 8.463 5.892 1.00 0.00 C ATOM 623 O GLY A 39 -3.170 7.561 5.648 1.00 0.00 O ATOM 0 H GLY A 39 -2.038 8.300 7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.798 9.155 7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.759 10.317 6.939 1.00 0.00 H new ATOM 627 N TRP A 40 -4.958 8.796 5.068 1.00 0.00 N ATOM 628 CA TRP A 40 -5.162 8.104 3.801 1.00 0.00 C ATOM 629 C TRP A 40 -4.146 8.562 2.761 1.00 0.00 C ATOM 630 O TRP A 40 -3.899 9.759 2.606 1.00 0.00 O ATOM 631 CB TRP A 40 -6.582 8.347 3.286 1.00 0.00 C ATOM 632 CG TRP A 40 -7.590 7.393 3.853 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.146 7.434 5.100 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.160 6.257 3.194 1.00 0.00 C ATOM 635 NE1 TRP A 40 -9.027 6.391 5.255 1.00 0.00 N ATOM 636 CE2 TRP A 40 -9.055 5.655 4.100 1.00 0.00 C ATOM 637 CE3 TRP A 40 -8.004 5.691 1.926 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.787 4.516 3.777 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.731 4.561 1.607 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.614 3.983 2.529 1.00 0.00 C ATOM 0 H TRP A 40 -5.629 9.541 5.255 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.023 7.037 3.972 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.880 9.367 3.530 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.586 8.265 2.199 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.926 8.176 5.853 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.572 6.196 6.095 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.327 6.130 1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.467 4.069 4.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.617 4.115 0.630 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.169 3.100 2.249 1.00 0.00 H new ATOM 651 N ARG A 41 -3.559 7.604 2.050 1.00 0.00 N ATOM 652 CA ARG A 41 -2.569 7.911 1.026 1.00 0.00 C ATOM 653 C ARG A 41 -3.025 7.405 -0.340 1.00 0.00 C ATOM 654 O ARG A 41 -3.962 6.613 -0.438 1.00 0.00 O ATOM 655 CB ARG A 41 -1.219 7.288 1.388 1.00 0.00 C ATOM 656 CG ARG A 41 -0.444 8.079 2.429 1.00 0.00 C ATOM 657 CD ARG A 41 0.040 9.408 1.873 1.00 0.00 C ATOM 658 NE ARG A 41 0.781 10.180 2.867 1.00 0.00 N ATOM 659 CZ ARG A 41 1.068 11.470 2.731 1.00 0.00 C ATOM 660 NH1 ARG A 41 0.678 12.129 1.649 1.00 0.00 N ATOM 661 NH2 ARG A 41 1.746 12.104 3.679 1.00 0.00 N ATOM 0 H ARG A 41 -3.752 6.609 2.165 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.459 8.994 0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.383 6.277 1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.614 7.201 0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.077 8.256 3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.410 7.494 2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.676 9.228 1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.815 9.989 1.526 1.00 0.00 H new ATOM 0 HE ARG A 41 1.095 9.703 3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.156 11.646 0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.900 13.119 1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.048 11.601 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.966 13.094 3.573 1.00 0.00 H new ATOM 675 N ALA A 42 -2.355 7.867 -1.391 1.00 0.00 N ATOM 676 CA ALA A 42 -2.690 7.460 -2.749 1.00 0.00 C ATOM 677 C ALA A 42 -1.531 6.714 -3.401 1.00 0.00 C ATOM 678 O ALA A 42 -0.366 6.972 -3.096 1.00 0.00 O ATOM 679 CB ALA A 42 -3.075 8.673 -3.584 1.00 0.00 C ATOM 0 H ALA A 42 -1.577 8.524 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.542 6.782 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.323 8.354 -4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.939 9.163 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.239 9.371 -3.618 1.00 0.00 H new ATOM 685 N ILE A 43 -1.857 5.790 -4.297 1.00 0.00 N ATOM 686 CA ILE A 43 -0.842 5.007 -4.991 1.00 0.00 C ATOM 687 C ILE A 43 -0.409 5.691 -6.284 1.00 0.00 C ATOM 688 O ILE A 43 -1.241 6.176 -7.049 1.00 0.00 O ATOM 689 CB ILE A 43 -1.350 3.590 -5.319 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.782 2.872 -4.039 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.272 2.795 -6.041 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.245 1.451 -4.271 1.00 0.00 C ATOM 0 H ILE A 43 -2.816 5.565 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 43 0.012 4.931 -4.318 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.215 3.672 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.948 2.864 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.588 3.436 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.646 1.796 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.007 3.301 -6.969 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.610 2.718 -5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.536 1.003 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.099 1.453 -4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.434 0.871 -4.712 1.00 0.00 H new ATOM 704 N GLU A 44 0.899 5.724 -6.520 1.00 0.00 N ATOM 705 CA GLU A 44 1.442 6.348 -7.721 1.00 0.00 C ATOM 706 C GLU A 44 2.059 5.303 -8.645 1.00 0.00 C ATOM 707 O GLU A 44 1.884 5.355 -9.863 1.00 0.00 O ATOM 708 CB GLU A 44 2.491 7.397 -7.347 1.00 0.00 C ATOM 709 CG GLU A 44 1.934 8.549 -6.527 1.00 0.00 C ATOM 710 CD GLU A 44 2.763 9.813 -6.658 1.00 0.00 C ATOM 711 OE1 GLU A 44 3.978 9.700 -6.924 1.00 0.00 O ATOM 712 OE2 GLU A 44 2.196 10.913 -6.495 1.00 0.00 O ATOM 0 H GLU A 44 1.601 5.326 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 44 0.623 6.836 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.290 6.915 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.937 7.794 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.912 8.755 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.889 8.255 -5.478 1.00 0.00 H new ATOM 719 N ASP A 45 2.782 4.355 -8.058 1.00 0.00 N ATOM 720 CA ASP A 45 3.425 3.297 -8.828 1.00 0.00 C ATOM 721 C ASP A 45 3.729 2.091 -7.944 1.00 0.00 C ATOM 722 O ASP A 45 4.357 2.221 -6.892 1.00 0.00 O ATOM 723 CB ASP A 45 4.714 3.814 -9.468 1.00 0.00 C ATOM 724 CG ASP A 45 4.448 4.749 -10.631 1.00 0.00 C ATOM 725 OD1 ASP A 45 4.139 4.252 -11.734 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.548 5.979 -10.437 1.00 0.00 O ATOM 0 H ASP A 45 2.937 4.298 -7.051 1.00 0.00 H new ATOM 0 HA ASP A 45 2.738 2.985 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.307 4.334 -8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.309 2.969 -9.814 1.00 0.00 H new ATOM 731 N LEU A 46 3.280 0.918 -8.378 1.00 0.00 N ATOM 732 CA LEU A 46 3.503 -0.312 -7.626 1.00 0.00 C ATOM 733 C LEU A 46 3.702 -1.496 -8.566 1.00 0.00 C ATOM 734 O LEU A 46 3.294 -1.455 -9.727 1.00 0.00 O ATOM 735 CB LEU A 46 2.324 -0.582 -6.690 1.00 0.00 C ATOM 736 CG LEU A 46 1.086 -1.208 -7.333 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.275 -2.707 -7.508 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.153 -0.919 -6.497 1.00 0.00 C ATOM 0 H LEU A 46 2.760 0.793 -9.246 1.00 0.00 H new ATOM 0 HA LEU A 46 4.409 -0.187 -7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.664 -1.239 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.031 0.360 -6.226 1.00 0.00 H new ATOM 0 HG LEU A 46 0.948 -0.763 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.384 -3.135 -7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.138 -2.893 -8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.439 -3.169 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.025 -1.372 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.024 -1.336 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.299 0.159 -6.424 1.00 0.00 H new ATOM 750 N TYR A 47 4.329 -2.551 -8.057 1.00 0.00 N ATOM 751 CA TYR A 47 4.582 -3.747 -8.851 1.00 0.00 C ATOM 752 C TYR A 47 5.087 -4.887 -7.973 1.00 0.00 C ATOM 753 O TYR A 47 5.868 -4.672 -7.046 1.00 0.00 O ATOM 754 CB TYR A 47 5.599 -3.447 -9.953 1.00 0.00 C ATOM 755 CG TYR A 47 6.668 -2.461 -9.539 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.611 -2.793 -8.574 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.735 -1.198 -10.113 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.588 -1.894 -8.192 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.709 -0.293 -9.738 1.00 0.00 C ATOM 760 CZ TYR A 47 8.633 -0.646 -8.777 1.00 0.00 C ATOM 761 OH TYR A 47 9.606 0.251 -8.400 1.00 0.00 O ATOM 0 H TYR A 47 4.671 -2.602 -7.098 1.00 0.00 H new ATOM 0 HA TYR A 47 3.642 -4.055 -9.308 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.075 -4.378 -10.260 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.073 -3.056 -10.824 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.580 -3.770 -8.115 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.013 -0.919 -10.866 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.313 -2.167 -7.439 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.747 0.685 -10.195 1.00 0.00 H new ATOM 0 HH TYR A 47 9.302 0.753 -7.615 1.00 0.00 H new ATOM 771 N ARG A 48 4.636 -6.101 -8.272 1.00 0.00 N ATOM 772 CA ARG A 48 5.041 -7.276 -7.511 1.00 0.00 C ATOM 773 C ARG A 48 6.445 -7.724 -7.908 1.00 0.00 C ATOM 774 O ARG A 48 6.637 -8.353 -8.949 1.00 0.00 O ATOM 775 CB ARG A 48 4.049 -8.420 -7.730 1.00 0.00 C ATOM 776 CG ARG A 48 3.957 -8.878 -9.177 1.00 0.00 C ATOM 777 CD ARG A 48 2.677 -9.657 -9.434 1.00 0.00 C ATOM 778 NE ARG A 48 2.808 -10.564 -10.571 1.00 0.00 N ATOM 779 CZ ARG A 48 1.953 -11.548 -10.828 1.00 0.00 C ATOM 780 NH1 ARG A 48 0.911 -11.750 -10.033 1.00 0.00 N ATOM 781 NH2 ARG A 48 2.140 -12.333 -11.882 1.00 0.00 N ATOM 0 H ARG A 48 3.990 -6.296 -9.036 1.00 0.00 H new ATOM 0 HA ARG A 48 5.048 -7.008 -6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.340 -9.266 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.062 -8.103 -7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.996 -8.012 -9.837 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.818 -9.501 -9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.415 -10.228 -8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.859 -8.960 -9.618 1.00 0.00 H new ATOM 0 HE ARG A 48 3.599 -10.435 -11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.764 -11.149 -9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.256 -12.506 -10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.941 -12.181 -12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.483 -13.088 -12.078 1.00 0.00 H new ATOM 795 N VAL A 49 7.425 -7.395 -7.071 1.00 0.00 N ATOM 796 CA VAL A 49 8.811 -7.763 -7.334 1.00 0.00 C ATOM 797 C VAL A 49 9.104 -9.179 -6.852 1.00 0.00 C ATOM 798 O VAL A 49 9.173 -9.435 -5.651 1.00 0.00 O ATOM 799 CB VAL A 49 9.789 -6.787 -6.654 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.226 -7.238 -6.866 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.582 -5.374 -7.177 1.00 0.00 C ATOM 0 H VAL A 49 7.284 -6.874 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 49 8.953 -7.714 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 49 9.588 -6.786 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.903 -6.537 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.363 -8.231 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.444 -7.270 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.282 -4.698 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.755 -5.355 -8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.561 -5.055 -6.968 1.00 0.00 H new ATOM 811 N GLY A 50 9.277 -10.097 -7.798 1.00 0.00 N ATOM 812 CA GLY A 50 9.562 -11.477 -7.450 1.00 0.00 C ATOM 813 C GLY A 50 8.501 -12.078 -6.549 1.00 0.00 C ATOM 814 O GLY A 50 7.394 -12.375 -6.997 1.00 0.00 O ATOM 0 H GLY A 50 9.225 -9.910 -8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.639 -12.070 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.530 -11.531 -6.952 1.00 0.00 H new ATOM 818 N GLU A 51 8.841 -12.259 -5.277 1.00 0.00 N ATOM 819 CA GLU A 51 7.910 -12.831 -4.312 1.00 0.00 C ATOM 820 C GLU A 51 7.457 -11.780 -3.303 1.00 0.00 C ATOM 821 O GLU A 51 7.156 -12.098 -2.153 1.00 0.00 O ATOM 822 CB GLU A 51 8.557 -14.010 -3.582 1.00 0.00 C ATOM 823 CG GLU A 51 8.893 -15.179 -4.492 1.00 0.00 C ATOM 824 CD GLU A 51 9.847 -16.165 -3.846 1.00 0.00 C ATOM 825 OE1 GLU A 51 9.551 -16.629 -2.725 1.00 0.00 O ATOM 826 OE2 GLU A 51 10.888 -16.474 -4.462 1.00 0.00 O ATOM 0 H GLU A 51 9.754 -12.018 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 51 7.035 -13.186 -4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.469 -13.667 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.884 -14.354 -2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.974 -15.696 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.335 -14.802 -5.414 1.00 0.00 H new ATOM 833 N GLU A 52 7.413 -10.526 -3.743 1.00 0.00 N ATOM 834 CA GLU A 52 6.999 -9.428 -2.877 1.00 0.00 C ATOM 835 C GLU A 52 6.374 -8.299 -3.692 1.00 0.00 C ATOM 836 O GLU A 52 6.322 -8.360 -4.921 1.00 0.00 O ATOM 837 CB GLU A 52 8.194 -8.897 -2.083 1.00 0.00 C ATOM 838 CG GLU A 52 8.881 -9.956 -1.237 1.00 0.00 C ATOM 839 CD GLU A 52 9.802 -9.359 -0.190 1.00 0.00 C ATOM 840 OE1 GLU A 52 9.393 -8.384 0.474 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.931 -9.869 -0.035 1.00 0.00 O ATOM 0 H GLU A 52 7.659 -10.246 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 52 6.251 -9.809 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.919 -8.471 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.858 -8.088 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.126 -10.569 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.455 -10.618 -1.886 1.00 0.00 H new ATOM 848 N LEU A 53 5.901 -7.269 -2.999 1.00 0.00 N ATOM 849 CA LEU A 53 5.278 -6.125 -3.657 1.00 0.00 C ATOM 850 C LEU A 53 5.824 -4.814 -3.101 1.00 0.00 C ATOM 851 O LEU A 53 6.035 -4.679 -1.895 1.00 0.00 O ATOM 852 CB LEU A 53 3.759 -6.175 -3.481 1.00 0.00 C ATOM 853 CG LEU A 53 2.975 -6.849 -4.607 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.726 -7.522 -4.058 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.609 -5.837 -5.682 1.00 0.00 C ATOM 0 H LEU A 53 5.937 -7.202 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 53 5.515 -6.174 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.538 -6.696 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.392 -5.155 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 53 3.607 -7.614 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.180 -7.997 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.012 -8.276 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.090 -6.776 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.051 -6.335 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.995 -5.049 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.518 -5.401 -6.096 1.00 0.00 H new ATOM 867 N VAL A 54 6.047 -3.849 -3.987 1.00 0.00 N ATOM 868 CA VAL A 54 6.565 -2.546 -3.584 1.00 0.00 C ATOM 869 C VAL A 54 5.645 -1.423 -4.048 1.00 0.00 C ATOM 870 O VAL A 54 5.636 -1.058 -5.224 1.00 0.00 O ATOM 871 CB VAL A 54 7.977 -2.305 -4.149 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.470 -0.914 -3.779 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.940 -3.371 -3.649 1.00 0.00 C ATOM 0 H VAL A 54 5.877 -3.944 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 54 6.613 -2.546 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 54 7.931 -2.371 -5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.469 -0.762 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.792 -0.166 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.502 -0.816 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.933 -3.185 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.984 -3.339 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.594 -4.353 -3.970 1.00 0.00 H new ATOM 883 N VAL A 55 4.871 -0.876 -3.116 1.00 0.00 N ATOM 884 CA VAL A 55 3.948 0.209 -3.428 1.00 0.00 C ATOM 885 C VAL A 55 4.574 1.566 -3.129 1.00 0.00 C ATOM 886 O VAL A 55 5.163 1.771 -2.067 1.00 0.00 O ATOM 887 CB VAL A 55 2.635 0.075 -2.633 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.745 1.286 -2.864 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.912 -1.209 -3.011 1.00 0.00 C ATOM 0 H VAL A 55 4.865 -1.167 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 55 3.728 0.141 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 55 2.877 0.029 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.822 1.173 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.265 2.187 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.509 1.367 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.987 -1.287 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.681 -1.196 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.549 -2.065 -2.788 1.00 0.00 H new ATOM 899 N HIS A 56 4.442 2.493 -4.073 1.00 0.00 N ATOM 900 CA HIS A 56 4.994 3.833 -3.911 1.00 0.00 C ATOM 901 C HIS A 56 3.889 4.845 -3.624 1.00 0.00 C ATOM 902 O HIS A 56 3.197 5.300 -4.536 1.00 0.00 O ATOM 903 CB HIS A 56 5.766 4.245 -5.165 1.00 0.00 C ATOM 904 CG HIS A 56 7.016 3.450 -5.388 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.280 3.971 -5.213 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.190 2.164 -5.772 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.179 3.041 -5.481 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.543 1.935 -5.822 1.00 0.00 N ATOM 0 H HIS A 56 3.958 2.340 -4.958 1.00 0.00 H new ATOM 0 HA HIS A 56 5.677 3.817 -3.062 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.116 4.136 -6.034 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.025 5.301 -5.091 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.489 4.926 -4.922 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.410 1.451 -5.997 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.251 3.164 -5.430 1.00 0.00 H new ATOM 916 N LEU A 57 3.728 5.193 -2.352 1.00 0.00 N ATOM 917 CA LEU A 57 2.706 6.150 -1.945 1.00 0.00 C ATOM 918 C LEU A 57 3.057 7.557 -2.420 1.00 0.00 C ATOM 919 O LEU A 57 4.228 7.932 -2.470 1.00 0.00 O ATOM 920 CB LEU A 57 2.546 6.139 -0.424 1.00 0.00 C ATOM 921 CG LEU A 57 2.255 4.778 0.211 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.272 4.882 1.728 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.917 4.239 -0.274 1.00 0.00 C ATOM 0 H LEU A 57 4.292 4.827 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 57 1.763 5.855 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.458 6.537 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.738 6.821 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 57 3.037 4.082 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.063 3.904 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.253 5.223 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.512 5.593 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.726 3.270 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.124 4.934 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.942 4.126 -1.358 1.00 0.00 H new ATOM 935 N ALA A 58 2.034 8.331 -2.767 1.00 0.00 N ATOM 936 CA ALA A 58 2.234 9.697 -3.233 1.00 0.00 C ATOM 937 C ALA A 58 2.967 10.533 -2.189 1.00 0.00 C ATOM 938 O ALA A 58 2.651 10.477 -1.002 1.00 0.00 O ATOM 939 CB ALA A 58 0.898 10.337 -3.581 1.00 0.00 C ATOM 0 H ALA A 58 1.058 8.035 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 58 2.852 9.661 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.063 11.357 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.412 9.760 -4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.261 10.353 -2.697 1.00 0.00 H new ATOM 945 N GLY A 59 3.949 11.307 -2.641 1.00 0.00 N ATOM 946 CA GLY A 59 4.713 12.142 -1.732 1.00 0.00 C ATOM 947 C GLY A 59 5.999 11.481 -1.280 1.00 0.00 C ATOM 948 O GLY A 59 7.074 12.076 -1.362 1.00 0.00 O ATOM 0 H GLY A 59 4.229 11.371 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.947 13.087 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.103 12.377 -0.860 1.00 0.00 H new ATOM 952 N VAL A 60 5.892 10.247 -0.798 1.00 0.00 N ATOM 953 CA VAL A 60 7.056 9.504 -0.330 1.00 0.00 C ATOM 954 C VAL A 60 8.086 9.340 -1.442 1.00 0.00 C ATOM 955 O VAL A 60 7.956 8.469 -2.302 1.00 0.00 O ATOM 956 CB VAL A 60 6.659 8.112 0.196 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.889 7.345 0.658 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.644 8.238 1.322 1.00 0.00 C ATOM 0 H VAL A 60 5.010 9.740 -0.721 1.00 0.00 H new ATOM 0 HA VAL A 60 7.493 10.081 0.485 1.00 0.00 H new ATOM 0 HB VAL A 60 6.197 7.553 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.589 6.364 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.577 7.224 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.383 7.897 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.375 7.245 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.077 8.815 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.752 8.744 0.953 1.00 0.00 H new ATOM 968 N THR A 61 9.113 10.185 -1.418 1.00 0.00 N ATOM 969 CA THR A 61 10.167 10.135 -2.424 1.00 0.00 C ATOM 970 C THR A 61 11.545 10.089 -1.774 1.00 0.00 C ATOM 971 O THR A 61 12.548 10.439 -2.398 1.00 0.00 O ATOM 972 CB THR A 61 10.098 11.348 -3.371 1.00 0.00 C ATOM 973 OG1 THR A 61 10.204 12.562 -2.619 1.00 0.00 O ATOM 974 CG2 THR A 61 8.797 11.346 -4.159 1.00 0.00 C ATOM 0 H THR A 61 9.237 10.912 -0.713 1.00 0.00 H new ATOM 0 HA THR A 61 10.010 9.224 -3.001 1.00 0.00 H new ATOM 0 HB THR A 61 10.929 11.281 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.161 13.329 -3.228 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.771 12.212 -4.821 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.732 10.434 -4.752 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.954 11.391 -3.470 1.00 0.00 H new ATOM 982 N ASP A 62 11.588 9.657 -0.519 1.00 0.00 N ATOM 983 CA ASP A 62 12.845 9.564 0.215 1.00 0.00 C ATOM 984 C ASP A 62 12.775 8.469 1.276 1.00 0.00 C ATOM 985 O ASP A 62 11.707 8.183 1.817 1.00 0.00 O ATOM 986 CB ASP A 62 13.178 10.905 0.870 1.00 0.00 C ATOM 987 CG ASP A 62 11.960 11.571 1.477 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.188 12.198 0.722 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.778 11.468 2.709 1.00 0.00 O ATOM 0 H ASP A 62 10.767 9.366 0.012 1.00 0.00 H new ATOM 0 HA ASP A 62 13.633 9.309 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.928 10.751 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.619 11.569 0.127 1.00 0.00 H new ATOM 994 N ARG A 63 13.920 7.861 1.567 1.00 0.00 N ATOM 995 CA ARG A 63 13.989 6.796 2.561 1.00 0.00 C ATOM 996 C ARG A 63 13.403 7.258 3.892 1.00 0.00 C ATOM 997 O ARG A 63 12.751 6.487 4.597 1.00 0.00 O ATOM 998 CB ARG A 63 15.437 6.345 2.757 1.00 0.00 C ATOM 999 CG ARG A 63 15.566 4.931 3.300 1.00 0.00 C ATOM 1000 CD ARG A 63 16.971 4.384 3.101 1.00 0.00 C ATOM 1001 NE ARG A 63 17.088 3.000 3.551 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.119 2.216 3.254 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.116 2.678 2.513 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.154 0.967 3.701 1.00 0.00 N ATOM 0 H ARG A 63 14.813 8.087 1.129 1.00 0.00 H new ATOM 0 HA ARG A 63 13.401 5.954 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.961 6.408 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.934 7.034 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.318 4.924 4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.847 4.281 2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.238 4.446 2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.682 5.004 3.647 1.00 0.00 H new ATOM 0 HE ARG A 63 16.338 2.614 4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.093 3.638 2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.906 2.074 2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.389 0.608 4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.946 0.366 3.473 1.00 0.00 H new ATOM 1018 N THR A 64 13.642 8.521 4.232 1.00 0.00 N ATOM 1019 CA THR A 64 13.140 9.084 5.479 1.00 0.00 C ATOM 1020 C THR A 64 11.619 9.012 5.542 1.00 0.00 C ATOM 1021 O THR A 64 11.054 8.362 6.423 1.00 0.00 O ATOM 1022 CB THR A 64 13.581 10.550 5.650 1.00 0.00 C ATOM 1023 OG1 THR A 64 15.010 10.628 5.714 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.979 11.153 6.910 1.00 0.00 C ATOM 0 H THR A 64 14.180 9.173 3.661 1.00 0.00 H new ATOM 0 HA THR A 64 13.562 8.488 6.288 1.00 0.00 H new ATOM 0 HB THR A 64 13.225 11.116 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.282 11.563 5.821 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.305 12.188 7.009 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.891 11.119 6.846 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.309 10.584 7.779 1.00 0.00 H new ATOM 1032 N LEU A 65 10.960 9.683 4.604 1.00 0.00 N ATOM 1033 CA LEU A 65 9.502 9.694 4.552 1.00 0.00 C ATOM 1034 C LEU A 65 8.946 8.274 4.565 1.00 0.00 C ATOM 1035 O LEU A 65 8.016 7.968 5.311 1.00 0.00 O ATOM 1036 CB LEU A 65 9.022 10.431 3.301 1.00 0.00 C ATOM 1037 CG LEU A 65 9.062 11.958 3.364 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.909 12.554 1.973 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.976 12.482 4.293 1.00 0.00 C ATOM 0 H LEU A 65 11.412 10.227 3.869 1.00 0.00 H new ATOM 0 HA LEU A 65 9.135 10.216 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.630 10.106 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.997 10.123 3.093 1.00 0.00 H new ATOM 0 HG LEU A 65 10.030 12.261 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.940 13.642 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.722 12.205 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.955 12.243 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.019 13.571 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.999 12.169 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.131 12.082 5.295 1.00 0.00 H new ATOM 1051 N ALA A 66 9.523 7.410 3.737 1.00 0.00 N ATOM 1052 CA ALA A 66 9.088 6.021 3.656 1.00 0.00 C ATOM 1053 C ALA A 66 9.236 5.321 5.002 1.00 0.00 C ATOM 1054 O ALA A 66 8.299 4.689 5.489 1.00 0.00 O ATOM 1055 CB ALA A 66 9.876 5.283 2.584 1.00 0.00 C ATOM 0 H ALA A 66 10.293 7.647 3.112 1.00 0.00 H new ATOM 0 HA ALA A 66 8.032 6.011 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.541 4.247 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.715 5.763 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.938 5.309 2.830 1.00 0.00 H new ATOM 1061 N GLU A 67 10.419 5.436 5.597 1.00 0.00 N ATOM 1062 CA GLU A 67 10.689 4.811 6.886 1.00 0.00 C ATOM 1063 C GLU A 67 9.629 5.201 7.912 1.00 0.00 C ATOM 1064 O GLU A 67 9.276 4.410 8.787 1.00 0.00 O ATOM 1065 CB GLU A 67 12.076 5.212 7.392 1.00 0.00 C ATOM 1066 CG GLU A 67 13.192 4.310 6.892 1.00 0.00 C ATOM 1067 CD GLU A 67 14.508 4.560 7.602 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.887 5.741 7.750 1.00 0.00 O ATOM 1069 OE2 GLU A 67 15.159 3.575 8.010 1.00 0.00 O ATOM 0 H GLU A 67 11.205 5.956 5.207 1.00 0.00 H new ATOM 0 HA GLU A 67 10.658 3.730 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.283 6.237 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.073 5.201 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.901 3.269 7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.326 4.464 5.821 1.00 0.00 H new ATOM 1076 N ALA A 68 9.126 6.426 7.798 1.00 0.00 N ATOM 1077 CA ALA A 68 8.106 6.921 8.714 1.00 0.00 C ATOM 1078 C ALA A 68 6.809 6.131 8.570 1.00 0.00 C ATOM 1079 O ALA A 68 6.057 5.972 9.533 1.00 0.00 O ATOM 1080 CB ALA A 68 7.854 8.402 8.472 1.00 0.00 C ATOM 0 H ALA A 68 9.408 7.094 7.080 1.00 0.00 H new ATOM 0 HA ALA A 68 8.471 6.787 9.732 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.090 8.759 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.777 8.959 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.514 8.551 7.447 1.00 0.00 H new ATOM 1086 N LEU A 69 6.553 5.638 7.364 1.00 0.00 N ATOM 1087 CA LEU A 69 5.346 4.865 7.094 1.00 0.00 C ATOM 1088 C LEU A 69 5.653 3.372 7.054 1.00 0.00 C ATOM 1089 O LEU A 69 4.928 2.594 6.434 1.00 0.00 O ATOM 1090 CB LEU A 69 4.721 5.304 5.768 1.00 0.00 C ATOM 1091 CG LEU A 69 4.229 6.751 5.705 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.797 7.106 4.290 1.00 0.00 C ATOM 1093 CD2 LEU A 69 3.085 6.969 6.684 1.00 0.00 C ATOM 0 H LEU A 69 7.165 5.760 6.557 1.00 0.00 H new ATOM 0 HA LEU A 69 4.638 5.050 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.456 5.156 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.880 4.645 5.550 1.00 0.00 H new ATOM 0 HG LEU A 69 5.052 7.407 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.450 8.139 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.642 6.990 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.989 6.444 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.748 8.004 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.259 6.304 6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.427 6.756 7.697 1.00 0.00 H new ATOM 1105 N VAL A 70 6.733 2.977 7.721 1.00 0.00 N ATOM 1106 CA VAL A 70 7.135 1.576 7.765 1.00 0.00 C ATOM 1107 C VAL A 70 6.702 0.921 9.072 1.00 0.00 C ATOM 1108 O VAL A 70 7.060 1.378 10.156 1.00 0.00 O ATOM 1109 CB VAL A 70 8.660 1.425 7.608 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.113 0.056 8.091 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.072 1.652 6.162 1.00 0.00 C ATOM 0 H VAL A 70 7.345 3.608 8.238 1.00 0.00 H new ATOM 0 HA VAL A 70 6.640 1.078 6.931 1.00 0.00 H new ATOM 0 HB VAL A 70 9.148 2.181 8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.193 -0.033 7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.852 -0.063 9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.619 -0.719 7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.152 1.541 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.577 0.921 5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.783 2.657 5.855 1.00 0.00 H new ATOM 1121 N GLY A 71 5.929 -0.155 8.960 1.00 0.00 N ATOM 1122 CA GLY A 71 5.459 -0.857 10.141 1.00 0.00 C ATOM 1123 C GLY A 71 3.948 -0.857 10.252 1.00 0.00 C ATOM 1124 O GLY A 71 3.361 -1.769 10.836 1.00 0.00 O ATOM 0 H GLY A 71 5.620 -0.553 8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.818 -1.886 10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.886 -0.392 11.030 1.00 0.00 H new ATOM 1128 N LEU A 72 3.315 0.169 9.694 1.00 0.00 N ATOM 1129 CA LEU A 72 1.861 0.285 9.734 1.00 0.00 C ATOM 1130 C LEU A 72 1.214 -0.603 8.676 1.00 0.00 C ATOM 1131 O LEU A 72 1.879 -1.066 7.750 1.00 0.00 O ATOM 1132 CB LEU A 72 1.440 1.740 9.522 1.00 0.00 C ATOM 1133 CG LEU A 72 1.924 2.739 10.574 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.663 4.166 10.116 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.248 2.475 11.912 1.00 0.00 C ATOM 0 H LEU A 72 3.786 0.933 9.208 1.00 0.00 H new ATOM 0 HA LEU A 72 1.522 -0.046 10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.804 2.064 8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.351 1.781 9.485 1.00 0.00 H new ATOM 0 HG LEU A 72 2.999 2.611 10.701 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.014 4.862 10.877 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.194 4.351 9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.594 4.308 9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.605 3.195 12.648 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.168 2.575 11.800 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.486 1.466 12.247 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.087 -0.834 8.820 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.824 -1.665 7.876 1.00 0.00 C ATOM 1149 C ARG A 73 -1.711 -0.810 6.976 1.00 0.00 C ATOM 1150 O ARG A 73 -2.152 0.271 7.368 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.677 -2.691 8.625 1.00 0.00 C ATOM 1152 CG ARG A 73 -0.877 -3.577 9.567 1.00 0.00 C ATOM 1153 CD ARG A 73 -1.715 -4.030 10.752 1.00 0.00 C ATOM 1154 NE ARG A 73 -2.105 -2.911 11.606 1.00 0.00 N ATOM 1155 CZ ARG A 73 -3.133 -2.952 12.447 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -3.870 -4.049 12.545 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -3.425 -1.893 13.191 1.00 0.00 N ATOM 0 H ARG A 73 -0.652 -0.457 9.581 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.101 -2.190 7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.443 -2.166 9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.194 -3.320 7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.510 -4.449 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.003 -3.033 9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.609 -4.539 10.391 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.151 -4.755 11.339 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.558 -2.051 11.554 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.649 -4.865 11.974 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.658 -4.078 13.191 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.860 -1.047 13.118 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.214 -1.925 13.836 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.968 -1.301 5.768 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.802 -0.583 4.812 1.00 0.00 C ATOM 1173 C VAL A 74 -4.186 -1.214 4.708 1.00 0.00 C ATOM 1174 O VAL A 74 -4.320 -2.437 4.661 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.157 -0.554 3.414 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -3.016 0.244 2.445 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.750 0.020 3.489 1.00 0.00 C ATOM 0 H VAL A 74 -1.610 -2.194 5.428 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.898 0.438 5.181 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.089 -1.577 3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.544 0.253 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.002 -0.215 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.119 1.267 2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.309 0.033 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.792 1.036 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.140 -0.598 4.148 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.213 -0.372 4.672 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.588 -0.847 4.575 1.00 0.00 C ATOM 1189 C TYR A 75 -7.147 -0.615 3.174 1.00 0.00 C ATOM 1190 O TYR A 75 -6.550 0.094 2.365 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.467 -0.143 5.610 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.223 -0.608 7.028 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.958 -0.534 7.597 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.260 -1.121 7.799 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.731 -0.959 8.892 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -8.042 -1.547 9.095 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.776 -1.464 9.637 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.555 -1.887 10.927 1.00 0.00 O ATOM 0 H TYR A 75 -5.119 0.643 4.709 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.590 -1.919 4.775 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.291 0.931 5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.514 -0.308 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.138 -0.137 7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.252 -1.188 7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.741 -0.896 9.318 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.858 -1.943 9.681 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.395 -2.214 11.313 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.298 -1.218 2.897 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.941 -1.076 1.596 1.00 0.00 C ATOM 1210 C ALA A 76 -10.432 -0.794 1.748 1.00 0.00 C ATOM 1211 O ALA A 76 -11.037 -1.137 2.764 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.721 -2.328 0.760 1.00 0.00 C ATOM 0 H ALA A 76 -8.805 -1.810 3.556 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.488 -0.226 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.206 -2.209 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.652 -2.485 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.147 -3.189 1.275 1.00 0.00 H new ATOM 1218 N GLU A 77 -11.017 -0.167 0.733 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.438 0.162 0.756 1.00 0.00 C ATOM 1220 C GLU A 77 -13.200 -0.643 -0.292 1.00 0.00 C ATOM 1221 O GLU A 77 -12.810 -0.693 -1.458 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.641 1.659 0.512 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.877 2.224 1.192 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.267 3.587 0.654 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.404 4.490 0.644 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.435 3.751 0.242 1.00 0.00 O ATOM 0 H GLU A 77 -10.530 0.123 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.828 -0.095 1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.763 2.199 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.713 1.837 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.709 1.533 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.695 2.299 2.264 1.00 0.00 H new ATOM 1233 N VAL A 78 -14.290 -1.275 0.133 1.00 0.00 N ATOM 1234 CA VAL A 78 -15.108 -2.078 -0.767 1.00 0.00 C ATOM 1235 C VAL A 78 -15.807 -1.203 -1.803 1.00 0.00 C ATOM 1236 O VAL A 78 -16.439 -1.707 -2.731 1.00 0.00 O ATOM 1237 CB VAL A 78 -16.168 -2.884 0.006 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.789 -3.947 -0.888 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.557 -3.513 1.249 1.00 0.00 C ATOM 0 H VAL A 78 -14.626 -1.246 1.095 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.435 -2.769 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.958 -2.202 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.536 -4.506 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.264 -3.469 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.013 -4.628 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.320 -4.079 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.747 -4.182 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -15.165 -2.730 1.898 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.687 0.110 -1.637 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.305 1.055 -2.559 1.00 0.00 C ATOM 1251 C ALA A 79 -15.425 1.282 -3.784 1.00 0.00 C ATOM 1252 O ALA A 79 -15.838 1.933 -4.744 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.583 2.374 -1.854 1.00 0.00 C ATOM 0 H ALA A 79 -15.168 0.543 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.250 0.630 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -17.044 3.071 -2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.257 2.203 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.647 2.795 -1.487 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.212 0.743 -3.743 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.273 0.887 -4.849 1.00 0.00 C ATOM 1261 C ASP A 80 -12.956 -0.468 -5.472 1.00 0.00 C ATOM 1262 O ASP A 80 -12.302 -0.548 -6.514 1.00 0.00 O ATOM 1263 CB ASP A 80 -11.984 1.557 -4.370 1.00 0.00 C ATOM 1264 CG ASP A 80 -12.139 3.055 -4.200 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -13.025 3.477 -3.428 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -11.372 3.806 -4.839 1.00 0.00 O ATOM 0 H ASP A 80 -13.856 0.202 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.738 1.516 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.680 1.116 -3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.186 1.356 -5.085 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.421 -1.533 -4.829 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.186 -2.887 -5.319 1.00 0.00 C ATOM 1273 C LEU A 81 -14.165 -3.240 -6.434 1.00 0.00 C ATOM 1274 O LEU A 81 -15.318 -2.809 -6.440 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.314 -3.894 -4.174 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.338 -3.715 -3.011 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.670 -4.679 -1.882 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.905 -3.915 -3.481 1.00 0.00 C ATOM 0 H LEU A 81 -13.963 -1.485 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.174 -2.931 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.329 -3.840 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.182 -4.896 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.436 -2.697 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.965 -4.537 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.682 -4.488 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.601 -5.704 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.224 -3.784 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.792 -4.921 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.671 -3.184 -4.255 1.00 0.00 H new