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 47 TYR OH : rot -94:sc= 0.227 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -4.35! X(o=-4.1!,f=-4.1) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0309) USER MOD Single : A 29 HIS : no HD1:sc= -0.0219 X(o=-0.022,f=-0.0023) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.03) 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 84:sc= 0.832 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.964 -0.556 6.012 1.00 0.00 N ATOM 43 CA LEU A 3 -12.615 -0.807 5.515 1.00 0.00 C ATOM 44 C LEU A 3 -12.193 -2.246 5.791 1.00 0.00 C ATOM 45 O LEU A 3 -12.800 -2.937 6.610 1.00 0.00 O ATOM 46 CB LEU A 3 -11.623 0.161 6.164 1.00 0.00 C ATOM 47 CG LEU A 3 -11.980 1.645 6.077 1.00 0.00 C ATOM 48 CD1 LEU A 3 -10.980 2.480 6.862 1.00 0.00 C ATOM 49 CD2 LEU A 3 -12.031 2.097 4.625 1.00 0.00 C ATOM 0 HA LEU A 3 -12.616 -0.648 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.520 -0.106 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.647 0.015 5.701 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.967 1.789 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.249 3.534 6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.992 2.174 7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.981 2.332 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.287 3.156 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.058 1.940 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.786 1.520 4.091 1.00 0.00 H new ATOM 61 N VAL A 4 -11.146 -2.693 5.103 1.00 0.00 N ATOM 62 CA VAL A 4 -10.640 -4.049 5.276 1.00 0.00 C ATOM 63 C VAL A 4 -9.143 -4.117 4.997 1.00 0.00 C ATOM 64 O VAL A 4 -8.665 -3.590 3.993 1.00 0.00 O ATOM 65 CB VAL A 4 -11.369 -5.043 4.352 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.822 -5.199 4.776 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.274 -4.590 2.903 1.00 0.00 C ATOM 0 H VAL A 4 -10.632 -2.135 4.421 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.826 -4.326 6.314 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.884 -6.015 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.321 -5.905 4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.864 -5.572 5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.323 -4.233 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.794 -5.303 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.733 -3.607 2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.226 -4.534 2.607 1.00 0.00 H new ATOM 77 N GLU A 5 -8.408 -4.770 5.891 1.00 0.00 N ATOM 78 CA GLU A 5 -6.964 -4.906 5.740 1.00 0.00 C ATOM 79 C GLU A 5 -6.624 -5.812 4.560 1.00 0.00 C ATOM 80 O GLU A 5 -7.193 -6.893 4.410 1.00 0.00 O ATOM 81 CB GLU A 5 -6.345 -5.467 7.022 1.00 0.00 C ATOM 82 CG GLU A 5 -4.834 -5.605 6.959 1.00 0.00 C ATOM 83 CD GLU A 5 -4.253 -6.240 8.207 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.382 -5.640 9.294 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.669 -7.339 8.096 1.00 0.00 O ATOM 0 H GLU A 5 -8.788 -5.213 6.727 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.550 -3.916 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.607 -4.817 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.782 -6.444 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.564 -6.206 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.389 -4.620 6.816 1.00 0.00 H new ATOM 92 N ILE A 6 -5.693 -5.361 3.726 1.00 0.00 N ATOM 93 CA ILE A 6 -5.277 -6.130 2.560 1.00 0.00 C ATOM 94 C ILE A 6 -3.812 -6.541 2.667 1.00 0.00 C ATOM 95 O ILE A 6 -3.440 -7.653 2.294 1.00 0.00 O ATOM 96 CB ILE A 6 -5.480 -5.333 1.258 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.803 -3.965 1.360 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.964 -5.175 0.960 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.916 -3.138 0.099 1.00 0.00 C ATOM 0 H ILE A 6 -5.213 -4.468 3.836 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.902 -7.023 2.532 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.021 -5.884 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.245 -3.411 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.749 -4.107 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.092 -4.610 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.420 -6.159 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.445 -4.643 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.413 -2.182 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.449 -3.671 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.968 -2.964 -0.129 1.00 0.00 H new ATOM 111 N GLY A 7 -2.985 -5.637 3.182 1.00 0.00 N ATOM 112 CA GLY A 7 -1.570 -5.925 3.331 1.00 0.00 C ATOM 113 C GLY A 7 -0.899 -5.024 4.349 1.00 0.00 C ATOM 114 O GLY A 7 -1.537 -4.139 4.920 1.00 0.00 O ATOM 0 H GLY A 7 -3.269 -4.710 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.444 -6.965 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.075 -5.810 2.367 1.00 0.00 H new ATOM 118 N ARG A 8 0.390 -5.249 4.577 1.00 0.00 N ATOM 119 CA ARG A 8 1.147 -4.453 5.536 1.00 0.00 C ATOM 120 C ARG A 8 2.510 -4.068 4.967 1.00 0.00 C ATOM 121 O ARG A 8 3.068 -4.779 4.131 1.00 0.00 O ATOM 122 CB ARG A 8 1.328 -5.226 6.843 1.00 0.00 C ATOM 123 CG ARG A 8 2.270 -4.548 7.825 1.00 0.00 C ATOM 124 CD ARG A 8 2.721 -5.507 8.916 1.00 0.00 C ATOM 125 NE ARG A 8 3.818 -6.363 8.474 1.00 0.00 N ATOM 126 CZ ARG A 8 4.175 -7.481 9.096 1.00 0.00 C ATOM 127 NH1 ARG A 8 3.525 -7.876 10.182 1.00 0.00 N ATOM 128 NH2 ARG A 8 5.185 -8.207 8.633 1.00 0.00 N ATOM 0 H ARG A 8 0.933 -5.976 4.111 1.00 0.00 H new ATOM 0 HA ARG A 8 0.585 -3.541 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.355 -5.356 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.708 -6.222 6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.141 -4.166 7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.771 -3.690 8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.035 -4.938 9.791 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.879 -6.127 9.224 1.00 0.00 H new ATOM 0 HE ARG A 8 4.339 -6.087 7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.749 -7.321 10.542 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.801 -8.735 10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.688 -7.907 7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.458 -9.065 9.112 1.00 0.00 H new ATOM 142 N PHE A 9 3.039 -2.938 5.425 1.00 0.00 N ATOM 143 CA PHE A 9 4.335 -2.458 4.961 1.00 0.00 C ATOM 144 C PHE A 9 5.471 -3.226 5.630 1.00 0.00 C ATOM 145 O PHE A 9 5.416 -3.523 6.823 1.00 0.00 O ATOM 146 CB PHE A 9 4.479 -0.961 5.244 1.00 0.00 C ATOM 147 CG PHE A 9 3.584 -0.102 4.398 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.467 -0.330 3.037 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.859 0.934 4.965 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.644 0.460 2.256 1.00 0.00 C ATOM 151 CE2 PHE A 9 2.034 1.727 4.189 1.00 0.00 C ATOM 152 CZ PHE A 9 1.926 1.489 2.833 1.00 0.00 C ATOM 0 H PHE A 9 2.590 -2.338 6.117 1.00 0.00 H new ATOM 0 HA PHE A 9 4.392 -2.624 3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.259 -0.775 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.515 -0.666 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.025 -1.134 2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.939 1.124 6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.563 0.273 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.475 2.532 4.643 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.281 2.106 2.225 1.00 0.00 H new ATOM 162 N GLY A 10 6.501 -3.544 4.852 1.00 0.00 N ATOM 163 CA GLY A 10 7.636 -4.275 5.386 1.00 0.00 C ATOM 164 C GLY A 10 8.867 -3.404 5.538 1.00 0.00 C ATOM 165 O GLY A 10 9.057 -2.763 6.572 1.00 0.00 O ATOM 0 H GLY A 10 6.570 -3.309 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.370 -4.695 6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.867 -5.113 4.728 1.00 0.00 H new ATOM 169 N ALA A 11 9.705 -3.381 4.508 1.00 0.00 N ATOM 170 CA ALA A 11 10.924 -2.582 4.532 1.00 0.00 C ATOM 171 C ALA A 11 10.861 -1.454 3.508 1.00 0.00 C ATOM 172 O ALA A 11 10.215 -1.564 2.466 1.00 0.00 O ATOM 173 CB ALA A 11 12.138 -3.463 4.276 1.00 0.00 C ATOM 0 H ALA A 11 9.562 -3.907 3.646 1.00 0.00 H new ATOM 0 HA ALA A 11 11.016 -2.134 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.041 -2.853 4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.200 -4.230 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.043 -3.938 3.300 1.00 0.00 H new ATOM 179 N PRO A 12 11.548 -0.342 3.809 1.00 0.00 N ATOM 180 CA PRO A 12 11.585 0.829 2.927 1.00 0.00 C ATOM 181 C PRO A 12 12.378 0.567 1.650 1.00 0.00 C ATOM 182 O PRO A 12 13.591 0.365 1.692 1.00 0.00 O ATOM 183 CB PRO A 12 12.281 1.893 3.779 1.00 0.00 C ATOM 184 CG PRO A 12 13.107 1.122 4.749 1.00 0.00 C ATOM 185 CD PRO A 12 12.341 -0.141 5.033 1.00 0.00 C ATOM 0 HA PRO A 12 10.589 1.117 2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.899 2.549 3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.556 2.526 4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.089 0.898 4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.271 1.693 5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.008 -0.982 5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.704 -0.036 5.911 1.00 0.00 H new ATOM 193 N TYR A 13 11.684 0.573 0.518 1.00 0.00 N ATOM 194 CA TYR A 13 12.323 0.335 -0.771 1.00 0.00 C ATOM 195 C TYR A 13 13.475 1.310 -0.997 1.00 0.00 C ATOM 196 O TYR A 13 13.706 2.212 -0.192 1.00 0.00 O ATOM 197 CB TYR A 13 11.302 0.465 -1.902 1.00 0.00 C ATOM 198 CG TYR A 13 11.734 -0.202 -3.188 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.761 -1.587 -3.301 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.117 0.552 -4.291 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.157 -2.200 -4.474 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.512 -0.053 -5.468 1.00 0.00 C ATOM 203 CZ TYR A 13 12.531 -1.429 -5.554 1.00 0.00 C ATOM 204 OH TYR A 13 12.925 -2.036 -6.725 1.00 0.00 O ATOM 0 H TYR A 13 10.679 0.740 0.466 1.00 0.00 H new ATOM 0 HA TYR A 13 12.724 -0.679 -0.767 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.356 0.031 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.119 1.522 -2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.467 -2.194 -2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.106 1.630 -4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.174 -3.278 -4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.804 0.548 -6.316 1.00 0.00 H new ATOM 0 HH TYR A 13 13.155 -1.351 -7.387 1.00 0.00 H new ATOM 214 N ALA A 14 14.194 1.121 -2.098 1.00 0.00 N ATOM 215 CA ALA A 14 15.320 1.983 -2.433 1.00 0.00 C ATOM 216 C ALA A 14 15.002 3.444 -2.130 1.00 0.00 C ATOM 217 O ALA A 14 13.838 3.818 -1.981 1.00 0.00 O ATOM 218 CB ALA A 14 15.696 1.816 -3.898 1.00 0.00 C ATOM 0 H ALA A 14 14.016 0.378 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 14 16.168 1.687 -1.816 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.539 2.466 -4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.974 0.779 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.845 2.083 -4.525 1.00 0.00 H new ATOM 224 N LEU A 15 16.043 4.264 -2.038 1.00 0.00 N ATOM 225 CA LEU A 15 15.874 5.685 -1.752 1.00 0.00 C ATOM 226 C LEU A 15 14.752 6.281 -2.596 1.00 0.00 C ATOM 227 O LEU A 15 14.104 7.248 -2.194 1.00 0.00 O ATOM 228 CB LEU A 15 17.180 6.437 -2.014 1.00 0.00 C ATOM 229 CG LEU A 15 18.447 5.803 -1.437 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.664 6.656 -1.758 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.309 5.611 0.067 1.00 0.00 C ATOM 0 H LEU A 15 17.012 3.970 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 15 15.607 5.789 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.307 6.539 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.084 7.444 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 15 18.583 4.824 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.556 6.189 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.773 6.742 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.537 7.648 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.219 5.159 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.148 6.578 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.461 4.959 0.274 1.00 0.00 H new ATOM 243 N LYS A 16 14.527 5.697 -3.768 1.00 0.00 N ATOM 244 CA LYS A 16 13.481 6.168 -4.669 1.00 0.00 C ATOM 245 C LYS A 16 12.263 6.646 -3.886 1.00 0.00 C ATOM 246 O LYS A 16 11.551 7.551 -4.319 1.00 0.00 O ATOM 247 CB LYS A 16 13.074 5.054 -5.636 1.00 0.00 C ATOM 248 CG LYS A 16 14.154 4.697 -6.643 1.00 0.00 C ATOM 249 CD LYS A 16 14.169 5.666 -7.813 1.00 0.00 C ATOM 250 CE LYS A 16 13.144 5.281 -8.868 1.00 0.00 C ATOM 251 NZ LYS A 16 13.596 4.118 -9.682 1.00 0.00 N ATOM 0 H LYS A 16 15.055 4.897 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 16 13.877 7.009 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.815 4.164 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.176 5.360 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.127 4.704 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.989 3.684 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.963 6.674 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.163 5.684 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.198 5.040 -8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.959 6.133 -9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.967 4.002 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.568 4.282 -10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.569 3.256 -9.101 1.00 0.00 H new ATOM 265 N GLY A 17 12.030 6.033 -2.729 1.00 0.00 N ATOM 266 CA GLY A 17 10.898 6.411 -1.904 1.00 0.00 C ATOM 267 C GLY A 17 9.801 5.365 -1.910 1.00 0.00 C ATOM 268 O GLY A 17 8.697 5.611 -1.426 1.00 0.00 O ATOM 0 H GLY A 17 12.605 5.281 -2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.236 6.572 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.494 7.359 -2.259 1.00 0.00 H new ATOM 272 N GLY A 18 10.105 4.194 -2.461 1.00 0.00 N ATOM 273 CA GLY A 18 9.125 3.125 -2.519 1.00 0.00 C ATOM 274 C GLY A 18 9.013 2.369 -1.210 1.00 0.00 C ATOM 275 O GLY A 18 9.953 2.348 -0.414 1.00 0.00 O ATOM 0 H GLY A 18 11.012 3.966 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.152 3.542 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.396 2.430 -3.314 1.00 0.00 H new ATOM 279 N LEU A 19 7.860 1.749 -0.984 1.00 0.00 N ATOM 280 CA LEU A 19 7.627 0.990 0.240 1.00 0.00 C ATOM 281 C LEU A 19 7.173 -0.431 -0.079 1.00 0.00 C ATOM 282 O LEU A 19 6.229 -0.635 -0.842 1.00 0.00 O ATOM 283 CB LEU A 19 6.578 1.690 1.106 1.00 0.00 C ATOM 284 CG LEU A 19 7.077 2.870 1.941 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.911 3.737 2.389 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.869 2.376 3.143 1.00 0.00 C ATOM 0 H LEU A 19 7.072 1.757 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 19 8.567 0.937 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.777 2.043 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.141 0.953 1.780 1.00 0.00 H new ATOM 0 HG LEU A 19 7.737 3.476 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.285 4.572 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.385 4.120 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.226 3.142 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.216 3.229 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.232 1.747 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.727 1.797 2.801 1.00 0.00 H new ATOM 298 N ARG A 20 7.851 -1.410 0.512 1.00 0.00 N ATOM 299 CA ARG A 20 7.517 -2.812 0.292 1.00 0.00 C ATOM 300 C ARG A 20 6.172 -3.156 0.925 1.00 0.00 C ATOM 301 O ARG A 20 6.073 -3.332 2.140 1.00 0.00 O ATOM 302 CB ARG A 20 8.610 -3.715 0.866 1.00 0.00 C ATOM 303 CG ARG A 20 9.798 -3.900 -0.063 1.00 0.00 C ATOM 304 CD ARG A 20 10.948 -4.608 0.636 1.00 0.00 C ATOM 305 NE ARG A 20 10.603 -5.978 1.006 1.00 0.00 N ATOM 306 CZ ARG A 20 11.445 -6.812 1.606 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.676 -6.417 1.902 1.00 0.00 N ATOM 308 NH2 ARG A 20 11.057 -8.044 1.911 1.00 0.00 N ATOM 0 H ARG A 20 8.635 -1.258 1.147 1.00 0.00 H new ATOM 0 HA ARG A 20 7.446 -2.979 -0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.959 -3.294 1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.181 -4.691 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.492 -4.476 -0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.134 -2.928 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.819 -4.618 -0.019 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.227 -4.050 1.530 1.00 0.00 H new ATOM 0 HE ARG A 20 9.664 -6.313 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.978 -5.471 1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.321 -7.059 2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.111 -8.352 1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.705 -8.683 2.372 1.00 0.00 H new ATOM 322 N PHE A 21 5.139 -3.250 0.094 1.00 0.00 N ATOM 323 CA PHE A 21 3.800 -3.572 0.573 1.00 0.00 C ATOM 324 C PHE A 21 3.442 -5.021 0.255 1.00 0.00 C ATOM 325 O PHE A 21 3.464 -5.437 -0.904 1.00 0.00 O ATOM 326 CB PHE A 21 2.771 -2.631 -0.056 1.00 0.00 C ATOM 327 CG PHE A 21 1.360 -3.137 0.037 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.635 -2.996 1.210 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.758 -3.754 -1.047 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.663 -3.460 1.299 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.541 -4.220 -0.964 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.252 -4.074 0.211 1.00 0.00 C ATOM 0 H PHE A 21 5.204 -3.108 -0.914 1.00 0.00 H new ATOM 0 HA PHE A 21 3.787 -3.442 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.833 -1.659 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.025 -2.477 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.090 -2.518 2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.310 -3.872 -1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.217 -3.343 2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.999 -4.698 -1.817 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.266 -4.439 0.279 1.00 0.00 H new ATOM 342 N ARG A 22 3.114 -5.785 1.292 1.00 0.00 N ATOM 343 CA ARG A 22 2.753 -7.187 1.124 1.00 0.00 C ATOM 344 C ARG A 22 1.272 -7.406 1.416 1.00 0.00 C ATOM 345 O ARG A 22 0.872 -7.555 2.570 1.00 0.00 O ATOM 346 CB ARG A 22 3.602 -8.068 2.044 1.00 0.00 C ATOM 347 CG ARG A 22 3.736 -9.502 1.560 1.00 0.00 C ATOM 348 CD ARG A 22 4.657 -10.310 2.461 1.00 0.00 C ATOM 349 NE ARG A 22 4.299 -11.726 2.481 1.00 0.00 N ATOM 350 CZ ARG A 22 3.187 -12.195 3.036 1.00 0.00 C ATOM 351 NH1 ARG A 22 2.329 -11.365 3.612 1.00 0.00 N ATOM 352 NH2 ARG A 22 2.931 -13.497 3.014 1.00 0.00 N ATOM 0 H ARG A 22 3.091 -5.456 2.257 1.00 0.00 H new ATOM 0 HA ARG A 22 2.946 -7.464 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.596 -7.630 2.136 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.160 -8.070 3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.752 -9.970 1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.124 -9.509 0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.686 -10.201 2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.614 -9.911 3.474 1.00 0.00 H new ATOM 0 HE ARG A 22 4.938 -12.391 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.522 -10.364 3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.476 -11.728 4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.588 -14.139 2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.077 -13.856 3.440 1.00 0.00 H new ATOM 366 N GLY A 23 0.462 -7.424 0.362 1.00 0.00 N ATOM 367 CA GLY A 23 -0.966 -7.625 0.527 1.00 0.00 C ATOM 368 C GLY A 23 -1.562 -8.478 -0.575 1.00 0.00 C ATOM 369 O GLY A 23 -0.923 -8.717 -1.599 1.00 0.00 O ATOM 0 H GLY A 23 0.769 -7.303 -0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.154 -8.098 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.467 -6.657 0.544 1.00 0.00 H new ATOM 373 N GLU A 24 -2.791 -8.940 -0.364 1.00 0.00 N ATOM 374 CA GLU A 24 -3.472 -9.774 -1.347 1.00 0.00 C ATOM 375 C GLU A 24 -3.218 -9.264 -2.763 1.00 0.00 C ATOM 376 O GLU A 24 -2.894 -8.096 -2.980 1.00 0.00 O ATOM 377 CB GLU A 24 -4.976 -9.807 -1.068 1.00 0.00 C ATOM 378 CG GLU A 24 -5.549 -8.459 -0.663 1.00 0.00 C ATOM 379 CD GLU A 24 -7.034 -8.523 -0.361 1.00 0.00 C ATOM 380 OE1 GLU A 24 -7.545 -9.638 -0.129 1.00 0.00 O ATOM 381 OE2 GLU A 24 -7.684 -7.457 -0.358 1.00 0.00 O ATOM 0 H GLU A 24 -3.335 -8.751 0.478 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.073 -10.785 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.495 -10.160 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.175 -10.530 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.019 -8.092 0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.375 -7.739 -1.463 1.00 0.00 H new ATOM 388 N PRO A 25 -3.366 -10.160 -3.750 1.00 0.00 N ATOM 389 CA PRO A 25 -3.158 -9.824 -5.162 1.00 0.00 C ATOM 390 C PRO A 25 -4.243 -8.901 -5.704 1.00 0.00 C ATOM 391 O PRO A 25 -4.069 -8.266 -6.745 1.00 0.00 O ATOM 392 CB PRO A 25 -3.214 -11.185 -5.862 1.00 0.00 C ATOM 393 CG PRO A 25 -4.039 -12.039 -4.963 1.00 0.00 C ATOM 394 CD PRO A 25 -3.750 -11.570 -3.564 1.00 0.00 C ATOM 0 HA PRO A 25 -2.223 -9.286 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.663 -11.103 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.216 -11.602 -5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.099 -11.940 -5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.783 -13.092 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.623 -11.667 -2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.948 -12.148 -3.104 1.00 0.00 H new ATOM 402 N VAL A 26 -5.363 -8.829 -4.992 1.00 0.00 N ATOM 403 CA VAL A 26 -6.476 -7.981 -5.402 1.00 0.00 C ATOM 404 C VAL A 26 -6.109 -6.505 -5.300 1.00 0.00 C ATOM 405 O VAL A 26 -6.810 -5.641 -5.828 1.00 0.00 O ATOM 406 CB VAL A 26 -7.729 -8.247 -4.547 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.419 -8.052 -3.070 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.873 -7.346 -4.984 1.00 0.00 C ATOM 0 H VAL A 26 -5.524 -9.348 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.695 -8.227 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.036 -9.282 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.316 -8.244 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.632 -8.744 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.086 -7.028 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.750 -7.548 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.580 -6.303 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.110 -7.541 -6.030 1.00 0.00 H new ATOM 418 N VAL A 27 -5.005 -6.221 -4.616 1.00 0.00 N ATOM 419 CA VAL A 27 -4.542 -4.849 -4.445 1.00 0.00 C ATOM 420 C VAL A 27 -4.098 -4.249 -5.775 1.00 0.00 C ATOM 421 O VAL A 27 -3.957 -3.032 -5.903 1.00 0.00 O ATOM 422 CB VAL A 27 -3.375 -4.770 -3.444 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.191 -5.586 -3.939 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.973 -3.322 -3.207 1.00 0.00 C ATOM 0 H VAL A 27 -4.414 -6.924 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.384 -4.278 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.705 -5.191 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.376 -5.518 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.489 -6.628 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.858 -5.197 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.147 -3.285 -2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.662 -2.872 -4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.822 -2.770 -2.804 1.00 0.00 H new ATOM 434 N LEU A 28 -3.881 -5.110 -6.762 1.00 0.00 N ATOM 435 CA LEU A 28 -3.453 -4.666 -8.084 1.00 0.00 C ATOM 436 C LEU A 28 -4.600 -3.992 -8.830 1.00 0.00 C ATOM 437 O LEU A 28 -4.435 -3.531 -9.960 1.00 0.00 O ATOM 438 CB LEU A 28 -2.927 -5.850 -8.897 1.00 0.00 C ATOM 439 CG LEU A 28 -1.822 -6.678 -8.239 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.269 -7.703 -9.217 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.711 -5.773 -7.728 1.00 0.00 C ATOM 0 H LEU A 28 -3.994 -6.120 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.652 -3.939 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.764 -6.511 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.553 -5.474 -9.849 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.250 -7.210 -7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.484 -8.283 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.069 -8.371 -9.535 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.857 -7.191 -10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.067 -6.379 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.286 -5.213 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.117 -5.078 -6.993 1.00 0.00 H new ATOM 453 N HIS A 29 -5.764 -3.937 -8.190 1.00 0.00 N ATOM 454 CA HIS A 29 -6.939 -3.317 -8.792 1.00 0.00 C ATOM 455 C HIS A 29 -7.359 -2.076 -8.010 1.00 0.00 C ATOM 456 O HIS A 29 -8.438 -1.525 -8.232 1.00 0.00 O ATOM 457 CB HIS A 29 -8.096 -4.314 -8.848 1.00 0.00 C ATOM 458 CG HIS A 29 -7.876 -5.433 -9.820 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.661 -5.623 -10.938 1.00 0.00 N ATOM 460 CD2 HIS A 29 -6.953 -6.422 -9.837 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.230 -6.682 -11.600 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.194 -7.184 -10.953 1.00 0.00 N ATOM 0 H HIS A 29 -5.919 -4.314 -7.255 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.680 -3.015 -9.807 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.252 -4.733 -7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.009 -3.784 -9.118 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.172 -6.582 -9.108 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.653 -7.071 -12.515 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.659 -8.005 -11.237 1.00 0.00 H new ATOM 470 N LEU A 30 -6.501 -1.642 -7.093 1.00 0.00 N ATOM 471 CA LEU A 30 -6.784 -0.467 -6.276 1.00 0.00 C ATOM 472 C LEU A 30 -6.106 0.772 -6.853 1.00 0.00 C ATOM 473 O LEU A 30 -5.109 0.670 -7.567 1.00 0.00 O ATOM 474 CB LEU A 30 -6.315 -0.695 -4.838 1.00 0.00 C ATOM 475 CG LEU A 30 -7.176 -1.635 -3.993 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.521 -1.890 -2.644 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.572 -1.058 -3.810 1.00 0.00 C ATOM 0 H LEU A 30 -5.604 -2.086 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.862 -0.305 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.300 -1.091 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.266 0.271 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.264 -2.587 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.148 -2.561 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.543 -2.346 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.403 -0.946 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.171 -1.740 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.504 -0.093 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.042 -0.927 -4.785 1.00 0.00 H new ATOM 489 N GLU A 31 -6.654 1.942 -6.537 1.00 0.00 N ATOM 490 CA GLU A 31 -6.101 3.200 -7.023 1.00 0.00 C ATOM 491 C GLU A 31 -5.569 4.043 -5.868 1.00 0.00 C ATOM 492 O GLU A 31 -4.834 5.009 -6.077 1.00 0.00 O ATOM 493 CB GLU A 31 -7.163 3.985 -7.795 1.00 0.00 C ATOM 494 CG GLU A 31 -8.576 3.762 -7.284 1.00 0.00 C ATOM 495 CD GLU A 31 -9.615 4.514 -8.093 1.00 0.00 C ATOM 496 OE1 GLU A 31 -10.098 3.958 -9.102 1.00 0.00 O ATOM 497 OE2 GLU A 31 -9.945 5.659 -7.718 1.00 0.00 O ATOM 0 H GLU A 31 -7.480 2.044 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.273 2.968 -7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.929 5.048 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.118 3.704 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.803 2.696 -7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.635 4.076 -6.242 1.00 0.00 H new ATOM 504 N ARG A 32 -5.947 3.672 -4.649 1.00 0.00 N ATOM 505 CA ARG A 32 -5.510 4.394 -3.460 1.00 0.00 C ATOM 506 C ARG A 32 -5.333 3.443 -2.280 1.00 0.00 C ATOM 507 O ARG A 32 -5.608 2.247 -2.386 1.00 0.00 O ATOM 508 CB ARG A 32 -6.520 5.486 -3.101 1.00 0.00 C ATOM 509 CG ARG A 32 -7.805 4.950 -2.490 1.00 0.00 C ATOM 510 CD ARG A 32 -8.661 6.071 -1.922 1.00 0.00 C ATOM 511 NE ARG A 32 -9.245 6.900 -2.973 1.00 0.00 N ATOM 512 CZ ARG A 32 -9.829 8.072 -2.746 1.00 0.00 C ATOM 513 NH1 ARG A 32 -9.905 8.550 -1.512 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.337 8.768 -3.755 1.00 0.00 N ATOM 0 H ARG A 32 -6.555 2.875 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.547 4.856 -3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.057 6.181 -2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.764 6.053 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.370 4.407 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.565 4.238 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.457 5.645 -1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.054 6.693 -1.265 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.202 6.561 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.515 8.018 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.354 9.450 -1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.280 8.404 -4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.785 9.667 -3.580 1.00 0.00 H new ATOM 528 N VAL A 33 -4.871 3.982 -1.156 1.00 0.00 N ATOM 529 CA VAL A 33 -4.657 3.181 0.044 1.00 0.00 C ATOM 530 C VAL A 33 -4.877 4.011 1.304 1.00 0.00 C ATOM 531 O VAL A 33 -5.075 5.224 1.234 1.00 0.00 O ATOM 532 CB VAL A 33 -3.237 2.586 0.075 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.121 1.427 -0.903 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.203 3.659 -0.232 1.00 0.00 C ATOM 0 H VAL A 33 -4.638 4.969 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.383 2.368 0.017 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.044 2.204 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.111 1.020 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.835 0.650 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.334 1.780 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.205 3.221 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.392 4.073 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.270 4.453 0.512 1.00 0.00 H new ATOM 544 N TYR A 34 -4.840 3.349 2.455 1.00 0.00 N ATOM 545 CA TYR A 34 -5.037 4.025 3.732 1.00 0.00 C ATOM 546 C TYR A 34 -3.935 3.655 4.720 1.00 0.00 C ATOM 547 O TYR A 34 -3.772 2.488 5.078 1.00 0.00 O ATOM 548 CB TYR A 34 -6.404 3.666 4.317 1.00 0.00 C ATOM 549 CG TYR A 34 -6.641 4.238 5.696 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.971 5.378 6.122 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.537 3.638 6.573 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.184 5.903 7.382 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.757 4.157 7.834 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.078 5.289 8.234 1.00 0.00 C ATOM 555 OH TYR A 34 -7.295 5.810 9.489 1.00 0.00 O ATOM 0 H TYR A 34 -4.675 2.345 2.530 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.996 5.100 3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.183 4.025 3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.497 2.581 4.362 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.272 5.862 5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.070 2.751 6.263 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.654 6.789 7.698 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.457 3.679 8.503 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.954 5.260 9.962 1.00 0.00 H new ATOM 565 N VAL A 35 -3.181 4.658 5.158 1.00 0.00 N ATOM 566 CA VAL A 35 -2.095 4.440 6.106 1.00 0.00 C ATOM 567 C VAL A 35 -2.602 4.491 7.543 1.00 0.00 C ATOM 568 O VAL A 35 -2.724 5.566 8.130 1.00 0.00 O ATOM 569 CB VAL A 35 -0.977 5.485 5.930 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.173 5.203 6.884 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.492 5.507 4.488 1.00 0.00 C ATOM 0 H VAL A 35 -3.302 5.629 4.872 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.690 3.449 5.901 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.381 6.469 6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.953 5.952 6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.189 5.242 7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.580 4.213 6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.298 6.251 4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.104 4.524 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.322 5.762 3.829 1.00 0.00 H new ATOM 581 N GLU A 36 -2.894 3.322 8.104 1.00 0.00 N ATOM 582 CA GLU A 36 -3.388 3.235 9.473 1.00 0.00 C ATOM 583 C GLU A 36 -2.383 3.834 10.453 1.00 0.00 C ATOM 584 O GLU A 36 -1.404 3.189 10.827 1.00 0.00 O ATOM 585 CB GLU A 36 -3.673 1.778 9.845 1.00 0.00 C ATOM 586 CG GLU A 36 -3.631 1.512 11.340 1.00 0.00 C ATOM 587 CD GLU A 36 -4.336 0.225 11.723 1.00 0.00 C ATOM 588 OE1 GLU A 36 -3.710 -0.850 11.613 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.514 0.293 12.133 1.00 0.00 O ATOM 0 H GLU A 36 -2.797 2.423 7.632 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.314 3.806 9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.655 1.500 9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.944 1.136 9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.593 1.465 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.094 2.346 11.867 1.00 0.00 H new ATOM 596 N GLY A 37 -2.634 5.073 10.866 1.00 0.00 N ATOM 597 CA GLY A 37 -1.742 5.739 11.798 1.00 0.00 C ATOM 598 C GLY A 37 -1.608 7.222 11.513 1.00 0.00 C ATOM 599 O GLY A 37 -1.620 8.042 12.431 1.00 0.00 O ATOM 0 H GLY A 37 -3.438 5.627 10.572 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.112 5.599 12.814 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.758 5.273 11.751 1.00 0.00 H new ATOM 603 N HIS A 38 -1.479 7.568 10.236 1.00 0.00 N ATOM 604 CA HIS A 38 -1.341 8.963 9.832 1.00 0.00 C ATOM 605 C HIS A 38 -2.566 9.426 9.051 1.00 0.00 C ATOM 606 O HIS A 38 -3.436 10.110 9.589 1.00 0.00 O ATOM 607 CB HIS A 38 -0.081 9.148 8.985 1.00 0.00 C ATOM 608 CG HIS A 38 1.189 8.901 9.739 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.423 9.329 9.296 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.412 8.266 10.913 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.350 8.967 10.164 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.763 8.321 11.156 1.00 0.00 N ATOM 0 H HIS A 38 -1.467 6.902 9.464 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.256 9.570 10.733 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.124 8.472 8.131 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.066 10.163 8.587 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.667 7.802 11.542 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.408 9.165 10.078 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.236 7.927 11.970 1.00 0.00 H new ATOM 620 N GLY A 39 -2.628 9.050 7.777 1.00 0.00 N ATOM 621 CA GLY A 39 -3.750 9.437 6.942 1.00 0.00 C ATOM 622 C GLY A 39 -3.877 8.572 5.704 1.00 0.00 C ATOM 623 O GLY A 39 -3.084 7.653 5.497 1.00 0.00 O ATOM 0 H GLY A 39 -1.921 8.484 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.670 9.372 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.634 10.479 6.643 1.00 0.00 H new ATOM 627 N TRP A 40 -4.876 8.865 4.880 1.00 0.00 N ATOM 628 CA TRP A 40 -5.105 8.105 3.656 1.00 0.00 C ATOM 629 C TRP A 40 -4.119 8.516 2.568 1.00 0.00 C ATOM 630 O TRP A 40 -4.017 9.693 2.222 1.00 0.00 O ATOM 631 CB TRP A 40 -6.539 8.309 3.165 1.00 0.00 C ATOM 632 CG TRP A 40 -7.519 7.356 3.780 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.039 7.416 5.042 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.093 6.199 3.162 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.903 6.367 5.245 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.954 5.607 4.106 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.966 5.608 1.902 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.681 4.452 3.829 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.688 4.462 1.628 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.537 3.894 2.587 1.00 0.00 C ATOM 0 H TRP A 40 -5.540 9.623 5.037 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.952 7.049 3.880 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.849 9.330 3.386 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.564 8.195 2.081 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.805 8.176 5.773 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.422 6.184 6.104 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.315 6.039 1.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.335 4.012 4.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.596 3.996 0.658 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.089 2.998 2.342 1.00 0.00 H new ATOM 651 N ARG A 41 -3.395 7.539 2.032 1.00 0.00 N ATOM 652 CA ARG A 41 -2.416 7.800 0.983 1.00 0.00 C ATOM 653 C ARG A 41 -2.872 7.206 -0.346 1.00 0.00 C ATOM 654 O ARG A 41 -3.620 6.229 -0.377 1.00 0.00 O ATOM 655 CB ARG A 41 -1.054 7.222 1.372 1.00 0.00 C ATOM 656 CG ARG A 41 -0.294 8.075 2.374 1.00 0.00 C ATOM 657 CD ARG A 41 0.100 9.418 1.778 1.00 0.00 C ATOM 658 NE ARG A 41 0.988 10.169 2.660 1.00 0.00 N ATOM 659 CZ ARG A 41 1.483 11.365 2.359 1.00 0.00 C ATOM 660 NH1 ARG A 41 1.177 11.942 1.205 1.00 0.00 N ATOM 661 NH2 ARG A 41 2.285 11.987 3.215 1.00 0.00 N ATOM 0 H ARG A 41 -3.468 6.559 2.307 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.325 8.880 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.198 6.226 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.448 7.106 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.911 8.235 3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.600 7.544 2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.592 9.258 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.797 10.005 1.582 1.00 0.00 H new ATOM 0 HE ARG A 41 1.242 9.753 3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.560 11.468 0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.558 12.860 0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.522 11.547 4.104 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.665 12.905 2.983 1.00 0.00 H new ATOM 675 N ALA A 42 -2.416 7.803 -1.442 1.00 0.00 N ATOM 676 CA ALA A 42 -2.775 7.332 -2.774 1.00 0.00 C ATOM 677 C ALA A 42 -1.605 6.613 -3.437 1.00 0.00 C ATOM 678 O ALA A 42 -0.446 6.973 -3.229 1.00 0.00 O ATOM 679 CB ALA A 42 -3.240 8.495 -3.638 1.00 0.00 C ATOM 0 H ALA A 42 -1.797 8.614 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.594 6.620 -2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.505 8.128 -4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.111 8.963 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.438 9.228 -3.724 1.00 0.00 H new ATOM 685 N ILE A 43 -1.916 5.597 -4.234 1.00 0.00 N ATOM 686 CA ILE A 43 -0.889 4.828 -4.927 1.00 0.00 C ATOM 687 C ILE A 43 -0.507 5.487 -6.248 1.00 0.00 C ATOM 688 O ILE A 43 -1.371 5.828 -7.055 1.00 0.00 O ATOM 689 CB ILE A 43 -1.354 3.386 -5.201 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.769 2.704 -3.896 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.251 2.596 -5.890 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.041 1.224 -4.047 1.00 0.00 C ATOM 0 H ILE A 43 -2.870 5.287 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.018 4.802 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.219 3.419 -5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.982 2.847 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.664 3.192 -3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.595 1.579 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.002 3.074 -6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.631 2.569 -5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.330 0.807 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.848 1.074 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.141 0.723 -4.404 1.00 0.00 H new ATOM 704 N GLU A 44 0.793 5.662 -6.463 1.00 0.00 N ATOM 705 CA GLU A 44 1.289 6.279 -7.687 1.00 0.00 C ATOM 706 C GLU A 44 1.901 5.233 -8.614 1.00 0.00 C ATOM 707 O GLU A 44 1.724 5.287 -9.831 1.00 0.00 O ATOM 708 CB GLU A 44 2.326 7.355 -7.359 1.00 0.00 C ATOM 709 CG GLU A 44 1.721 8.638 -6.815 1.00 0.00 C ATOM 710 CD GLU A 44 1.381 9.632 -7.908 1.00 0.00 C ATOM 711 OE1 GLU A 44 0.561 9.291 -8.786 1.00 0.00 O ATOM 712 OE2 GLU A 44 1.936 10.750 -7.885 1.00 0.00 O ATOM 0 H GLU A 44 1.522 5.385 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 44 0.445 6.743 -8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.031 6.958 -6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.896 7.585 -8.259 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.818 8.400 -6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.420 9.097 -6.116 1.00 0.00 H new ATOM 719 N ASP A 45 2.622 4.282 -8.030 1.00 0.00 N ATOM 720 CA ASP A 45 3.261 3.223 -8.803 1.00 0.00 C ATOM 721 C ASP A 45 3.601 2.031 -7.913 1.00 0.00 C ATOM 722 O ASP A 45 4.221 2.186 -6.860 1.00 0.00 O ATOM 723 CB ASP A 45 4.527 3.749 -9.479 1.00 0.00 C ATOM 724 CG ASP A 45 4.223 4.619 -10.683 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.788 4.070 -11.717 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.418 5.848 -10.590 1.00 0.00 O ATOM 0 H ASP A 45 2.779 4.223 -7.024 1.00 0.00 H new ATOM 0 HA ASP A 45 2.560 2.893 -9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.109 4.323 -8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.146 2.907 -9.790 1.00 0.00 H new ATOM 731 N LEU A 46 3.191 0.843 -8.343 1.00 0.00 N ATOM 732 CA LEU A 46 3.452 -0.376 -7.585 1.00 0.00 C ATOM 733 C LEU A 46 3.633 -1.569 -8.518 1.00 0.00 C ATOM 734 O LEU A 46 3.078 -1.601 -9.616 1.00 0.00 O ATOM 735 CB LEU A 46 2.306 -0.647 -6.608 1.00 0.00 C ATOM 736 CG LEU A 46 1.054 -1.291 -7.204 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.266 -2.783 -7.408 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.152 -1.038 -6.312 1.00 0.00 C ATOM 0 H LEU A 46 2.677 0.698 -9.212 1.00 0.00 H new ATOM 0 HA LEU A 46 4.375 -0.235 -7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.678 -1.292 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.019 0.297 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 46 0.863 -0.837 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.364 -3.224 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.103 -2.942 -8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.483 -3.254 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.034 -1.504 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.029 -1.464 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.317 0.035 -6.219 1.00 0.00 H new ATOM 750 N TYR A 47 4.412 -2.549 -8.072 1.00 0.00 N ATOM 751 CA TYR A 47 4.667 -3.744 -8.867 1.00 0.00 C ATOM 752 C TYR A 47 5.160 -4.889 -7.987 1.00 0.00 C ATOM 753 O TYR A 47 5.890 -4.673 -7.020 1.00 0.00 O ATOM 754 CB TYR A 47 5.695 -3.446 -9.960 1.00 0.00 C ATOM 755 CG TYR A 47 6.751 -2.448 -9.541 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.723 -2.786 -8.606 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.779 -1.168 -10.080 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.689 -1.878 -8.220 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.742 -0.254 -9.701 1.00 0.00 C ATOM 760 CZ TYR A 47 8.695 -0.613 -8.770 1.00 0.00 C ATOM 761 OH TYR A 47 9.656 0.295 -8.389 1.00 0.00 O ATOM 0 H TYR A 47 4.877 -2.539 -7.164 1.00 0.00 H new ATOM 0 HA TYR A 47 3.729 -4.046 -9.333 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.182 -4.376 -10.253 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.177 -3.066 -10.841 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.722 -3.776 -8.174 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.034 -0.883 -10.808 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.436 -2.157 -7.491 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.749 0.737 -10.131 1.00 0.00 H new ATOM 0 HH TYR A 47 9.309 0.852 -7.661 1.00 0.00 H new ATOM 771 N ARG A 48 4.754 -6.107 -8.331 1.00 0.00 N ATOM 772 CA ARG A 48 5.154 -7.287 -7.573 1.00 0.00 C ATOM 773 C ARG A 48 6.563 -7.728 -7.956 1.00 0.00 C ATOM 774 O ARG A 48 6.761 -8.402 -8.967 1.00 0.00 O ATOM 775 CB ARG A 48 4.167 -8.431 -7.813 1.00 0.00 C ATOM 776 CG ARG A 48 4.080 -8.865 -9.267 1.00 0.00 C ATOM 777 CD ARG A 48 2.799 -9.637 -9.542 1.00 0.00 C ATOM 778 NE ARG A 48 2.944 -10.556 -10.667 1.00 0.00 N ATOM 779 CZ ARG A 48 2.790 -10.195 -11.936 1.00 0.00 C ATOM 780 NH1 ARG A 48 2.487 -8.941 -12.240 1.00 0.00 N ATOM 781 NH2 ARG A 48 2.939 -11.090 -12.905 1.00 0.00 N ATOM 0 H ARG A 48 4.149 -6.303 -9.129 1.00 0.00 H new ATOM 0 HA ARG A 48 5.149 -7.027 -6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.460 -9.286 -7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.178 -8.123 -7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.123 -7.988 -9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.941 -9.486 -9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.515 -10.197 -8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.991 -8.936 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 48 3.176 -11.529 -10.468 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.371 -8.250 -11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.369 -8.667 -13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.172 -12.056 -12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.820 -10.812 -13.879 1.00 0.00 H new ATOM 795 N VAL A 49 7.540 -7.342 -7.141 1.00 0.00 N ATOM 796 CA VAL A 49 8.932 -7.697 -7.394 1.00 0.00 C ATOM 797 C VAL A 49 9.221 -9.129 -6.958 1.00 0.00 C ATOM 798 O VAL A 49 9.315 -9.419 -5.766 1.00 0.00 O ATOM 799 CB VAL A 49 9.896 -6.745 -6.662 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.340 -7.161 -6.898 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.667 -5.309 -7.109 1.00 0.00 C ATOM 0 H VAL A 49 7.393 -6.784 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 49 9.091 -7.608 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 49 9.696 -6.805 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.006 -6.477 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.493 -8.174 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.557 -7.131 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.356 -4.650 -6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.839 -5.230 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.641 -5.017 -6.883 1.00 0.00 H new ATOM 811 N GLY A 50 9.361 -10.022 -7.933 1.00 0.00 N ATOM 812 CA GLY A 50 9.639 -11.414 -7.629 1.00 0.00 C ATOM 813 C GLY A 50 8.576 -12.038 -6.748 1.00 0.00 C ATOM 814 O GLY A 50 7.500 -12.399 -7.223 1.00 0.00 O ATOM 0 H GLY A 50 9.287 -9.807 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.713 -11.978 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.607 -11.488 -7.133 1.00 0.00 H new ATOM 818 N GLU A 51 8.879 -12.168 -5.460 1.00 0.00 N ATOM 819 CA GLU A 51 7.941 -12.757 -4.510 1.00 0.00 C ATOM 820 C GLU A 51 7.488 -11.724 -3.482 1.00 0.00 C ATOM 821 O GLU A 51 7.206 -12.061 -2.333 1.00 0.00 O ATOM 822 CB GLU A 51 8.581 -13.952 -3.801 1.00 0.00 C ATOM 823 CG GLU A 51 8.693 -15.190 -4.675 1.00 0.00 C ATOM 824 CD GLU A 51 7.367 -15.589 -5.293 1.00 0.00 C ATOM 825 OE1 GLU A 51 6.343 -15.550 -4.580 1.00 0.00 O ATOM 826 OE2 GLU A 51 7.353 -15.940 -6.492 1.00 0.00 O ATOM 0 H GLU A 51 9.766 -11.874 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 51 7.068 -13.099 -5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.576 -13.669 -3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.994 -14.195 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.418 -15.006 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.075 -16.018 -4.078 1.00 0.00 H new ATOM 833 N GLU A 52 7.423 -10.465 -3.905 1.00 0.00 N ATOM 834 CA GLU A 52 7.006 -9.384 -3.021 1.00 0.00 C ATOM 835 C GLU A 52 6.372 -8.245 -3.815 1.00 0.00 C ATOM 836 O GLU A 52 6.328 -8.280 -5.046 1.00 0.00 O ATOM 837 CB GLU A 52 8.201 -8.859 -2.222 1.00 0.00 C ATOM 838 CG GLU A 52 9.004 -9.954 -1.539 1.00 0.00 C ATOM 839 CD GLU A 52 10.074 -9.403 -0.616 1.00 0.00 C ATOM 840 OE1 GLU A 52 10.618 -8.320 -0.919 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.368 -10.055 0.407 1.00 0.00 O ATOM 0 H GLU A 52 7.654 -10.169 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 52 6.262 -9.781 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.857 -8.301 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.844 -8.158 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.329 -10.591 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.472 -10.583 -2.297 1.00 0.00 H new ATOM 848 N LEU A 53 5.882 -7.236 -3.103 1.00 0.00 N ATOM 849 CA LEU A 53 5.250 -6.086 -3.740 1.00 0.00 C ATOM 850 C LEU A 53 5.759 -4.781 -3.136 1.00 0.00 C ATOM 851 O LEU A 53 5.945 -4.677 -1.924 1.00 0.00 O ATOM 852 CB LEU A 53 3.729 -6.170 -3.595 1.00 0.00 C ATOM 853 CG LEU A 53 2.982 -6.848 -4.743 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.734 -7.548 -4.228 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.621 -5.832 -5.818 1.00 0.00 C ATOM 0 H LEU A 53 5.910 -7.191 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 53 5.509 -6.100 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.501 -6.705 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.339 -5.159 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 53 3.638 -7.598 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.215 -8.025 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.017 -8.304 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.074 -6.818 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.090 -6.332 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.984 -5.059 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.531 -5.376 -6.208 1.00 0.00 H new ATOM 867 N VAL A 54 5.981 -3.787 -3.990 1.00 0.00 N ATOM 868 CA VAL A 54 6.465 -2.487 -3.541 1.00 0.00 C ATOM 869 C VAL A 54 5.543 -1.366 -4.007 1.00 0.00 C ATOM 870 O VAL A 54 5.528 -1.008 -5.185 1.00 0.00 O ATOM 871 CB VAL A 54 7.890 -2.211 -4.055 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.376 -0.851 -3.577 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.840 -3.313 -3.609 1.00 0.00 C ATOM 0 H VAL A 54 5.833 -3.857 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 54 6.478 -2.513 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 54 7.869 -2.200 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.385 -0.673 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.709 -0.074 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.383 -0.830 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.843 -3.102 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.859 -3.358 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.500 -4.269 -4.006 1.00 0.00 H new ATOM 883 N VAL A 55 4.773 -0.815 -3.074 1.00 0.00 N ATOM 884 CA VAL A 55 3.848 0.268 -3.388 1.00 0.00 C ATOM 885 C VAL A 55 4.477 1.627 -3.106 1.00 0.00 C ATOM 886 O VAL A 55 5.070 1.842 -2.048 1.00 0.00 O ATOM 887 CB VAL A 55 2.542 0.142 -2.581 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.710 1.409 -2.709 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.750 -1.074 -3.037 1.00 0.00 C ATOM 0 H VAL A 55 4.771 -1.101 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 55 3.619 0.190 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 55 2.797 0.008 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.791 1.301 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.279 2.258 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.463 1.577 -3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.830 -1.148 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.505 -0.973 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.347 -1.974 -2.888 1.00 0.00 H new ATOM 899 N HIS A 56 4.344 2.544 -4.059 1.00 0.00 N ATOM 900 CA HIS A 56 4.898 3.885 -3.914 1.00 0.00 C ATOM 901 C HIS A 56 3.802 4.894 -3.587 1.00 0.00 C ATOM 902 O HIS A 56 3.060 5.328 -4.469 1.00 0.00 O ATOM 903 CB HIS A 56 5.626 4.301 -5.193 1.00 0.00 C ATOM 904 CG HIS A 56 6.895 3.543 -5.434 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.145 4.074 -5.195 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.102 2.287 -5.893 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.066 3.177 -5.499 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.460 2.084 -5.925 1.00 0.00 N ATOM 0 H HIS A 56 3.857 2.382 -4.941 1.00 0.00 H new ATOM 0 HA HIS A 56 5.610 3.869 -3.089 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.960 4.157 -6.044 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.853 5.366 -5.142 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.330 5.012 -4.839 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.341 1.577 -6.181 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.134 3.314 -5.414 1.00 0.00 H new ATOM 916 N LEU A 57 3.704 5.263 -2.314 1.00 0.00 N ATOM 917 CA LEU A 57 2.697 6.221 -1.871 1.00 0.00 C ATOM 918 C LEU A 57 3.020 7.623 -2.375 1.00 0.00 C ATOM 919 O LEU A 57 4.175 7.944 -2.651 1.00 0.00 O ATOM 920 CB LEU A 57 2.606 6.224 -0.344 1.00 0.00 C ATOM 921 CG LEU A 57 2.299 4.878 0.314 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.481 4.966 1.821 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.887 4.427 -0.029 1.00 0.00 C ATOM 0 H LEU A 57 4.309 4.913 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 57 1.736 5.919 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.550 6.594 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.835 6.935 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 57 3.000 4.138 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.258 3.999 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.511 5.243 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.805 5.719 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.686 3.468 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.172 5.167 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.791 4.323 -1.110 1.00 0.00 H new ATOM 935 N ALA A 58 1.990 8.456 -2.492 1.00 0.00 N ATOM 936 CA ALA A 58 2.165 9.825 -2.959 1.00 0.00 C ATOM 937 C ALA A 58 2.855 10.682 -1.903 1.00 0.00 C ATOM 938 O ALA A 58 2.465 10.680 -0.737 1.00 0.00 O ATOM 939 CB ALA A 58 0.820 10.430 -3.336 1.00 0.00 C ATOM 0 H ALA A 58 1.026 8.206 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 58 2.802 9.802 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.966 11.453 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.365 9.839 -4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.165 10.432 -2.465 1.00 0.00 H new ATOM 945 N GLY A 59 3.884 11.414 -2.321 1.00 0.00 N ATOM 946 CA GLY A 59 4.613 12.264 -1.398 1.00 0.00 C ATOM 947 C GLY A 59 5.923 11.646 -0.951 1.00 0.00 C ATOM 948 O GLY A 59 6.933 12.338 -0.826 1.00 0.00 O ATOM 0 H GLY A 59 4.225 11.433 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.812 13.225 -1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.992 12.463 -0.525 1.00 0.00 H new ATOM 952 N VAL A 60 5.907 10.339 -0.709 1.00 0.00 N ATOM 953 CA VAL A 60 7.103 9.628 -0.273 1.00 0.00 C ATOM 954 C VAL A 60 8.104 9.486 -1.413 1.00 0.00 C ATOM 955 O VAL A 60 7.962 8.619 -2.276 1.00 0.00 O ATOM 956 CB VAL A 60 6.757 8.228 0.269 1.00 0.00 C ATOM 957 CG1 VAL A 60 8.018 7.497 0.702 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.769 8.333 1.421 1.00 0.00 C ATOM 0 H VAL A 60 5.079 9.751 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 60 7.549 10.219 0.527 1.00 0.00 H new ATOM 0 HB VAL A 60 6.289 7.653 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.754 6.510 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.688 7.390 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.517 8.066 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.535 7.335 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.208 8.925 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.855 8.814 1.074 1.00 0.00 H new ATOM 968 N THR A 61 9.120 10.344 -1.412 1.00 0.00 N ATOM 969 CA THR A 61 10.146 10.316 -2.447 1.00 0.00 C ATOM 970 C THR A 61 11.538 10.192 -1.837 1.00 0.00 C ATOM 971 O THR A 61 12.541 10.473 -2.494 1.00 0.00 O ATOM 972 CB THR A 61 10.093 11.579 -3.326 1.00 0.00 C ATOM 973 OG1 THR A 61 10.277 12.747 -2.517 1.00 0.00 O ATOM 974 CG2 THR A 61 8.765 11.671 -4.062 1.00 0.00 C ATOM 0 H THR A 61 9.254 11.067 -0.705 1.00 0.00 H new ATOM 0 HA THR A 61 9.945 9.443 -3.068 1.00 0.00 H new ATOM 0 HB THR A 61 10.895 11.516 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.244 13.546 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.751 12.571 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.640 10.795 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.950 11.713 -3.339 1.00 0.00 H new ATOM 982 N ASP A 62 11.592 9.770 -0.579 1.00 0.00 N ATOM 983 CA ASP A 62 12.863 9.607 0.119 1.00 0.00 C ATOM 984 C ASP A 62 12.777 8.485 1.148 1.00 0.00 C ATOM 985 O ASP A 62 11.726 8.256 1.746 1.00 0.00 O ATOM 986 CB ASP A 62 13.264 10.915 0.803 1.00 0.00 C ATOM 987 CG ASP A 62 12.082 11.623 1.437 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.795 11.356 2.622 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.445 12.446 0.747 1.00 0.00 O ATOM 0 H ASP A 62 10.771 9.534 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 62 13.623 9.343 -0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.012 10.707 1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.730 11.576 0.072 1.00 0.00 H new ATOM 994 N ARG A 63 13.891 7.788 1.349 1.00 0.00 N ATOM 995 CA ARG A 63 13.941 6.688 2.305 1.00 0.00 C ATOM 996 C ARG A 63 13.359 7.109 3.651 1.00 0.00 C ATOM 997 O ARG A 63 12.680 6.329 4.319 1.00 0.00 O ATOM 998 CB ARG A 63 15.382 6.209 2.488 1.00 0.00 C ATOM 999 CG ARG A 63 15.490 4.769 2.965 1.00 0.00 C ATOM 1000 CD ARG A 63 16.875 4.467 3.514 1.00 0.00 C ATOM 1001 NE ARG A 63 16.917 3.188 4.219 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.038 2.630 4.663 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.203 3.235 4.476 1.00 0.00 N ATOM 1004 NH2 ARG A 63 17.995 1.465 5.295 1.00 0.00 N ATOM 0 H ARG A 63 14.770 7.965 0.863 1.00 0.00 H new ATOM 0 HA ARG A 63 13.340 5.869 1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.912 6.310 1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.884 6.859 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.743 4.583 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.270 4.093 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.595 4.454 2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.178 5.265 4.192 1.00 0.00 H new ATOM 0 HE ARG A 63 16.038 2.697 4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.240 4.131 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.062 2.804 4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.101 0.996 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.856 1.037 5.635 1.00 0.00 H new ATOM 1018 N THR A 64 13.630 8.350 4.044 1.00 0.00 N ATOM 1019 CA THR A 64 13.135 8.875 5.311 1.00 0.00 C ATOM 1020 C THR A 64 11.615 8.793 5.384 1.00 0.00 C ATOM 1021 O THR A 64 11.062 8.049 6.194 1.00 0.00 O ATOM 1022 CB THR A 64 13.570 10.338 5.520 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.985 10.460 5.339 1.00 0.00 O ATOM 1024 CG2 THR A 64 13.187 10.823 6.910 1.00 0.00 C ATOM 0 H THR A 64 14.189 9.010 3.503 1.00 0.00 H new ATOM 0 HA THR A 64 13.567 8.259 6.099 1.00 0.00 H new ATOM 0 HB THR A 64 13.056 10.955 4.783 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.253 11.393 5.472 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.504 11.858 7.034 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.106 10.757 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.676 10.201 7.660 1.00 0.00 H new ATOM 1032 N LEU A 65 10.944 9.561 4.532 1.00 0.00 N ATOM 1033 CA LEU A 65 9.486 9.574 4.500 1.00 0.00 C ATOM 1034 C LEU A 65 8.927 8.155 4.543 1.00 0.00 C ATOM 1035 O LEU A 65 7.941 7.887 5.229 1.00 0.00 O ATOM 1036 CB LEU A 65 8.991 10.291 3.242 1.00 0.00 C ATOM 1037 CG LEU A 65 9.067 11.818 3.266 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.970 12.379 1.856 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.968 12.393 4.148 1.00 0.00 C ATOM 0 H LEU A 65 11.386 10.182 3.855 1.00 0.00 H new ATOM 0 HA LEU A 65 9.133 10.111 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.570 9.932 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.955 10.001 3.067 1.00 0.00 H new ATOM 0 HG LEU A 65 10.030 12.108 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.026 13.467 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.793 11.994 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.022 12.079 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.037 13.481 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.995 12.093 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.083 12.017 5.165 1.00 0.00 H new ATOM 1051 N ALA A 66 9.566 7.251 3.808 1.00 0.00 N ATOM 1052 CA ALA A 66 9.135 5.859 3.766 1.00 0.00 C ATOM 1053 C ALA A 66 9.284 5.197 5.131 1.00 0.00 C ATOM 1054 O ALA A 66 8.328 4.635 5.666 1.00 0.00 O ATOM 1055 CB ALA A 66 9.928 5.093 2.717 1.00 0.00 C ATOM 0 H ALA A 66 10.383 7.457 3.234 1.00 0.00 H new ATOM 0 HA ALA A 66 8.079 5.839 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.596 4.055 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.768 5.545 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.989 5.130 2.964 1.00 0.00 H new ATOM 1061 N GLU A 67 10.488 5.267 5.690 1.00 0.00 N ATOM 1062 CA GLU A 67 10.760 4.673 6.994 1.00 0.00 C ATOM 1063 C GLU A 67 9.686 5.063 8.005 1.00 0.00 C ATOM 1064 O GLU A 67 9.340 4.282 8.891 1.00 0.00 O ATOM 1065 CB GLU A 67 12.137 5.109 7.500 1.00 0.00 C ATOM 1066 CG GLU A 67 13.272 4.221 7.020 1.00 0.00 C ATOM 1067 CD GLU A 67 14.450 4.213 7.974 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.268 3.803 9.139 1.00 0.00 O ATOM 1069 OE2 GLU A 67 15.555 4.617 7.555 1.00 0.00 O ATOM 0 H GLU A 67 11.290 5.729 5.261 1.00 0.00 H new ATOM 0 HA GLU A 67 10.749 3.589 6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.326 6.132 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.129 5.116 8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.904 3.203 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.605 4.562 6.040 1.00 0.00 H new ATOM 1076 N ALA A 68 9.165 6.277 7.866 1.00 0.00 N ATOM 1077 CA ALA A 68 8.130 6.771 8.766 1.00 0.00 C ATOM 1078 C ALA A 68 6.828 5.998 8.583 1.00 0.00 C ATOM 1079 O ALA A 68 6.071 5.803 9.535 1.00 0.00 O ATOM 1080 CB ALA A 68 7.898 8.258 8.538 1.00 0.00 C ATOM 0 H ALA A 68 9.442 6.937 7.139 1.00 0.00 H new ATOM 0 HA ALA A 68 8.472 6.620 9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.123 8.614 9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.823 8.804 8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.582 8.423 7.508 1.00 0.00 H new ATOM 1086 N LEU A 69 6.574 5.559 7.355 1.00 0.00 N ATOM 1087 CA LEU A 69 5.363 4.806 7.047 1.00 0.00 C ATOM 1088 C LEU A 69 5.641 3.307 7.040 1.00 0.00 C ATOM 1089 O LEU A 69 4.916 2.533 6.413 1.00 0.00 O ATOM 1090 CB LEU A 69 4.800 5.239 5.692 1.00 0.00 C ATOM 1091 CG LEU A 69 4.238 6.660 5.622 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.813 6.995 4.201 1.00 0.00 C ATOM 1093 CD2 LEU A 69 3.068 6.819 6.582 1.00 0.00 C ATOM 0 H LEU A 69 7.190 5.711 6.557 1.00 0.00 H new ATOM 0 HA LEU A 69 4.627 5.016 7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.589 5.145 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.010 4.543 5.410 1.00 0.00 H new ATOM 0 HG LEU A 69 5.022 7.356 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.416 8.010 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.674 6.922 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.044 6.294 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.681 7.836 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.281 6.114 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.403 6.621 7.600 1.00 0.00 H new ATOM 1105 N VAL A 70 6.694 2.901 7.742 1.00 0.00 N ATOM 1106 CA VAL A 70 7.066 1.494 7.819 1.00 0.00 C ATOM 1107 C VAL A 70 6.625 0.880 9.143 1.00 0.00 C ATOM 1108 O VAL A 70 6.997 1.357 10.214 1.00 0.00 O ATOM 1109 CB VAL A 70 8.587 1.306 7.660 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.011 -0.064 8.167 1.00 0.00 C ATOM 1111 CG2 VAL A 70 8.998 1.497 6.208 1.00 0.00 C ATOM 0 H VAL A 70 7.305 3.528 8.266 1.00 0.00 H new ATOM 0 HA VAL A 70 6.557 0.987 6.999 1.00 0.00 H new ATOM 0 HB VAL A 70 9.094 2.062 8.260 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.088 -0.179 8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.751 -0.158 9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.498 -0.838 7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.075 1.361 6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.484 0.765 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.730 2.502 5.883 1.00 0.00 H new ATOM 1121 N GLY A 71 5.828 -0.181 9.061 1.00 0.00 N ATOM 1122 CA GLY A 71 5.349 -0.844 10.260 1.00 0.00 C ATOM 1123 C GLY A 71 3.838 -0.824 10.368 1.00 0.00 C ATOM 1124 O GLY A 71 3.238 -1.725 10.957 1.00 0.00 O ATOM 0 H GLY A 71 5.505 -0.593 8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.697 -1.877 10.264 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.779 -0.359 11.136 1.00 0.00 H new ATOM 1128 N LEU A 72 3.219 0.205 9.801 1.00 0.00 N ATOM 1129 CA LEU A 72 1.766 0.340 9.838 1.00 0.00 C ATOM 1130 C LEU A 72 1.107 -0.598 8.831 1.00 0.00 C ATOM 1131 O LEU A 72 1.772 -1.149 7.954 1.00 0.00 O ATOM 1132 CB LEU A 72 1.361 1.786 9.547 1.00 0.00 C ATOM 1133 CG LEU A 72 1.895 2.840 10.517 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.595 4.240 10.002 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.299 2.641 11.903 1.00 0.00 C ATOM 0 H LEU A 72 3.700 0.959 9.310 1.00 0.00 H new ATOM 0 HA LEU A 72 1.425 0.068 10.837 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.698 2.042 8.542 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.273 1.844 9.542 1.00 0.00 H new ATOM 0 HG LEU A 72 2.977 2.725 10.589 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.982 4.977 10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.070 4.380 9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.517 4.367 9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.691 3.400 12.580 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.214 2.728 11.848 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.565 1.652 12.275 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.204 -0.771 8.962 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.953 -1.641 8.064 1.00 0.00 C ATOM 1149 C ARG A 73 -1.781 -0.821 7.078 1.00 0.00 C ATOM 1150 O ARG A 73 -2.290 0.248 7.418 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.867 -2.571 8.864 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.118 -3.650 9.629 1.00 0.00 C ATOM 1153 CD ARG A 73 -0.579 -3.124 10.949 1.00 0.00 C ATOM 1154 NE ARG A 73 0.209 -4.129 11.658 1.00 0.00 N ATOM 1155 CZ ARG A 73 -0.325 -5.156 12.310 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -1.642 -5.312 12.343 1.00 0.00 N ATOM 1157 NH2 ARG A 73 0.457 -6.029 12.931 1.00 0.00 N ATOM 0 H ARG A 73 -0.769 -0.320 9.681 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.238 -2.242 7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.450 -1.977 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.575 -3.045 8.184 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.783 -4.493 9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.294 -4.023 9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.037 -2.244 10.764 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.410 -2.805 11.578 1.00 0.00 H new ATOM 0 HE ARG A 73 1.225 -4.037 11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.247 -4.643 11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.050 -6.101 12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.470 -5.912 12.908 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.045 -6.817 13.431 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.911 -1.328 5.857 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.677 -0.643 4.822 1.00 0.00 C ATOM 1173 C VAL A 74 -4.096 -1.194 4.734 1.00 0.00 C ATOM 1174 O VAL A 74 -4.298 -2.401 4.602 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.002 -0.774 3.444 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.668 0.146 2.433 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.514 -0.474 3.551 1.00 0.00 C ATOM 0 H VAL A 74 -1.496 -2.211 5.560 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.715 0.410 5.101 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.119 -1.800 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.177 0.039 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.721 -0.120 2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.584 1.179 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.052 -0.571 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.373 0.542 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.050 -1.178 4.242 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.077 -0.301 4.808 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.478 -0.697 4.739 1.00 0.00 C ATOM 1189 C TYR A 75 -7.055 -0.419 3.354 1.00 0.00 C ATOM 1190 O TYR A 75 -6.524 0.396 2.601 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.293 0.043 5.802 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.036 -0.445 7.210 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.791 -0.286 7.805 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.039 -1.064 7.945 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.552 -0.730 9.091 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.810 -1.510 9.232 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.564 -1.342 9.800 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.331 -1.785 11.082 1.00 0.00 O ATOM 0 H TYR A 75 -4.927 0.702 4.916 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.536 -1.769 4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.064 1.107 5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.354 -0.067 5.576 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.996 0.193 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.015 -1.199 7.502 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.578 -0.599 9.539 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.602 -1.987 9.790 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.447 -1.042 11.711 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.148 -1.101 3.028 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.800 -0.926 1.736 1.00 0.00 C ATOM 1210 C ALA A 76 -10.241 -0.456 1.907 1.00 0.00 C ATOM 1211 O ALA A 76 -10.772 -0.449 3.017 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.757 -2.224 0.943 1.00 0.00 C ATOM 0 H ALA A 76 -8.600 -1.780 3.641 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.258 -0.158 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.247 -2.079 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.720 -2.517 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.273 -3.007 1.499 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.866 -0.064 0.802 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.245 0.410 0.832 1.00 0.00 C ATOM 1220 C GLU A 77 -13.141 -0.472 -0.033 1.00 0.00 C ATOM 1221 O GLU A 77 -12.747 -0.905 -1.116 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.320 1.860 0.351 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.545 2.605 0.854 1.00 0.00 C ATOM 1224 CD GLU A 77 -13.742 3.939 0.161 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.572 3.997 -1.075 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.067 4.926 0.855 1.00 0.00 O ATOM 0 H GLU A 77 -10.440 -0.065 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.598 0.359 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.424 2.389 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.319 1.873 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.430 1.987 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.451 2.768 1.928 1.00 0.00 H new ATOM 1233 N VAL A 78 -14.350 -0.734 0.453 1.00 0.00 N ATOM 1234 CA VAL A 78 -15.304 -1.563 -0.274 1.00 0.00 C ATOM 1235 C VAL A 78 -15.919 -0.798 -1.441 1.00 0.00 C ATOM 1236 O VAL A 78 -16.795 -1.308 -2.138 1.00 0.00 O ATOM 1237 CB VAL A 78 -16.432 -2.063 0.648 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -17.323 -3.052 -0.086 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.851 -2.688 1.907 1.00 0.00 C ATOM 0 H VAL A 78 -14.692 -0.384 1.348 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.750 -2.421 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 78 -17.044 -1.210 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -18.114 -3.394 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.767 -2.567 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.728 -3.906 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.661 -3.036 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.216 -3.531 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -15.259 -1.945 2.442 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.452 0.429 -1.649 1.00 0.00 N ATOM 1250 CA ALA A 79 -15.953 1.263 -2.734 1.00 0.00 C ATOM 1251 C ALA A 79 -15.008 1.236 -3.930 1.00 0.00 C ATOM 1252 O ALA A 79 -15.423 1.460 -5.067 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.155 2.692 -2.250 1.00 0.00 C ATOM 0 H ALA A 79 -14.727 0.867 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 79 -16.913 0.860 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.529 3.304 -3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.876 2.701 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.205 3.096 -1.900 1.00 0.00 H new ATOM 1259 N ASP A 80 -13.735 0.962 -3.666 1.00 0.00 N ATOM 1260 CA ASP A 80 -12.730 0.905 -4.721 1.00 0.00 C ATOM 1261 C ASP A 80 -12.496 -0.533 -5.172 1.00 0.00 C ATOM 1262 O ASP A 80 -11.744 -0.785 -6.114 1.00 0.00 O ATOM 1263 CB ASP A 80 -11.417 1.521 -4.237 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.376 3.024 -4.432 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.183 3.540 -5.233 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -10.536 3.684 -3.784 1.00 0.00 O ATOM 0 H ASP A 80 -13.375 0.776 -2.730 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.099 1.478 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.279 1.291 -3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.585 1.065 -4.774 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.144 -1.473 -4.493 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.006 -2.888 -4.822 1.00 0.00 C ATOM 1273 C LEU A 81 -14.222 -3.388 -5.595 1.00 0.00 C ATOM 1274 O LEU A 81 -15.333 -2.878 -5.450 1.00 0.00 O ATOM 1275 CB LEU A 81 -12.822 -3.713 -3.548 1.00 0.00 C ATOM 1276 CG LEU A 81 -11.586 -3.386 -2.708 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -11.678 -4.048 -1.342 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.320 -3.823 -3.431 1.00 0.00 C ATOM 0 H LEU A 81 -13.770 -1.281 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.125 -3.005 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.706 -3.582 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.780 -4.767 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.544 -2.307 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.790 -3.804 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.565 -3.686 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.745 -5.129 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.450 -3.583 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.354 -4.898 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.248 -3.301 -4.385 1.00 0.00 H new