USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 687 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 7 LYS NZ :NH3+ -147:sc= 0.202 (180deg=-0.807) USER MOD Set 1.2: A 9 TYR OH : rot 180:sc= 0.229 USER MOD Single : A 3 SER OG : rot -26:sc= 0.0406 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.788 USER MOD Single : A 47 SER OG : rot 97:sc= 0.0351 USER MOD Single : A 62 GLN : amide:sc= -3.29! C(o=-3.3!,f=-6!) USER MOD Single : A 64 HIS : no HD1:sc= -2.8! C(o=-2.8!,f=-4.1!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 32:sc= 0.341 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -26:sc= 0.00258 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.447 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 3.196 -5.753 -1.488 1.00 61.50 N ATOM 36 CA SER A 3 2.532 -6.665 -2.413 1.00 3.13 C ATOM 37 C SER A 3 2.864 -8.116 -2.077 1.00 40.24 C ATOM 38 O SER A 3 3.978 -8.429 -1.655 1.00 41.22 O ATOM 39 CB SER A 3 2.946 -6.355 -3.853 1.00 11.14 C ATOM 40 OG SER A 3 4.344 -6.510 -4.026 1.00 53.13 O ATOM 0 HA SER A 3 1.456 -6.525 -2.314 1.00 3.13 H new ATOM 0 HB2 SER A 3 2.416 -7.017 -4.538 1.00 11.14 H new ATOM 0 HB3 SER A 3 2.656 -5.335 -4.107 1.00 11.14 H new ATOM 0 HG SER A 3 4.797 -6.369 -3.169 1.00 53.13 H new ATOM 46 N LEU A 4 1.889 -8.998 -2.268 1.00 64.03 N ATOM 47 CA LEU A 4 2.076 -10.417 -1.987 1.00 30.23 C ATOM 48 C LEU A 4 1.506 -11.275 -3.112 1.00 20.13 C ATOM 49 O LEU A 4 0.371 -11.076 -3.546 1.00 32.03 O ATOM 50 CB LEU A 4 1.409 -10.786 -0.661 1.00 31.25 C ATOM 51 CG LEU A 4 1.684 -9.846 0.513 1.00 15.35 C ATOM 52 CD1 LEU A 4 0.626 -8.755 0.582 1.00 31.15 C ATOM 53 CD2 LEU A 4 1.735 -10.624 1.820 1.00 63.42 C ATOM 0 H LEU A 4 0.961 -8.756 -2.616 1.00 64.03 H new ATOM 0 HA LEU A 4 3.146 -10.610 -1.915 1.00 30.23 H new ATOM 0 HB2 LEU A 4 0.332 -10.831 -0.820 1.00 31.25 H new ATOM 0 HB3 LEU A 4 1.732 -11.789 -0.381 1.00 31.25 H new ATOM 0 HG LEU A 4 2.654 -9.375 0.356 1.00 15.35 H new ATOM 0 HD11 LEU A 4 0.838 -8.095 1.424 1.00 31.15 H new ATOM 0 HD12 LEU A 4 0.637 -8.178 -0.343 1.00 31.15 H new ATOM 0 HD13 LEU A 4 -0.356 -9.209 0.715 1.00 31.15 H new ATOM 0 HD21 LEU A 4 1.932 -9.938 2.644 1.00 63.42 H new ATOM 0 HD22 LEU A 4 0.780 -11.124 1.984 1.00 63.42 H new ATOM 0 HD23 LEU A 4 2.530 -11.368 1.770 1.00 63.42 H new ATOM 65 N THR A 5 2.301 -12.233 -3.580 1.00 12.33 N ATOM 66 CA THR A 5 1.876 -13.122 -4.653 1.00 74.11 C ATOM 67 C THR A 5 1.045 -14.280 -4.111 1.00 54.45 C ATOM 68 O THR A 5 1.516 -15.064 -3.288 1.00 3.20 O ATOM 69 CB THR A 5 3.083 -13.689 -5.425 1.00 14.55 C ATOM 70 OG1 THR A 5 4.300 -13.161 -4.886 1.00 12.32 O ATOM 71 CG2 THR A 5 2.987 -13.348 -6.904 1.00 63.11 C ATOM 0 H THR A 5 3.243 -12.412 -3.232 1.00 12.33 H new ATOM 0 HA THR A 5 1.266 -12.527 -5.333 1.00 74.11 H new ATOM 0 HB THR A 5 3.079 -14.774 -5.318 1.00 14.55 H new ATOM 0 HG1 THR A 5 5.063 -13.527 -5.381 1.00 12.32 H new ATOM 0 HG21 THR A 5 3.850 -13.758 -7.429 1.00 63.11 H new ATOM 0 HG22 THR A 5 2.074 -13.776 -7.317 1.00 63.11 H new ATOM 0 HG23 THR A 5 2.969 -12.265 -7.027 1.00 63.11 H new ATOM 79 N VAL A 6 -0.195 -14.382 -4.579 1.00 54.44 N ATOM 80 CA VAL A 6 -1.092 -15.445 -4.143 1.00 71.20 C ATOM 81 C VAL A 6 -1.194 -16.544 -5.195 1.00 31.12 C ATOM 82 O VAL A 6 -1.636 -16.304 -6.319 1.00 24.31 O ATOM 83 CB VAL A 6 -2.503 -14.903 -3.844 1.00 64.04 C ATOM 84 CG1 VAL A 6 -3.043 -14.132 -5.039 1.00 65.24 C ATOM 85 CG2 VAL A 6 -3.440 -16.039 -3.464 1.00 72.14 C ATOM 0 H VAL A 6 -0.601 -13.741 -5.260 1.00 54.44 H new ATOM 0 HA VAL A 6 -0.669 -15.860 -3.228 1.00 71.20 H new ATOM 0 HB VAL A 6 -2.439 -14.218 -2.999 1.00 64.04 H new ATOM 0 HG11 VAL A 6 -4.040 -13.757 -4.809 1.00 65.24 H new ATOM 0 HG12 VAL A 6 -2.382 -13.294 -5.260 1.00 65.24 H new ATOM 0 HG13 VAL A 6 -3.094 -14.792 -5.905 1.00 65.24 H new ATOM 0 HG21 VAL A 6 -4.432 -15.638 -3.256 1.00 72.14 H new ATOM 0 HG22 VAL A 6 -3.501 -16.751 -4.287 1.00 72.14 H new ATOM 0 HG23 VAL A 6 -3.059 -16.543 -2.576 1.00 72.14 H new ATOM 95 N LYS A 7 -0.783 -17.752 -4.823 1.00 13.44 N ATOM 96 CA LYS A 7 -0.829 -18.890 -5.732 1.00 73.13 C ATOM 97 C LYS A 7 -2.107 -19.698 -5.529 1.00 12.22 C ATOM 98 O LYS A 7 -2.382 -20.176 -4.429 1.00 1.34 O ATOM 99 CB LYS A 7 0.393 -19.787 -5.522 1.00 35.23 C ATOM 100 CG LYS A 7 1.694 -19.163 -5.994 1.00 60.05 C ATOM 101 CD LYS A 7 2.825 -20.178 -6.012 1.00 50.32 C ATOM 102 CE LYS A 7 2.929 -20.873 -7.361 1.00 43.51 C ATOM 103 NZ LYS A 7 2.071 -22.088 -7.427 1.00 52.51 N ATOM 0 H LYS A 7 -0.414 -17.967 -3.897 1.00 13.44 H new ATOM 0 HA LYS A 7 -0.820 -18.508 -6.753 1.00 73.13 H new ATOM 0 HB2 LYS A 7 0.479 -20.028 -4.462 1.00 35.23 H new ATOM 0 HB3 LYS A 7 0.238 -20.727 -6.051 1.00 35.23 H new ATOM 0 HG2 LYS A 7 1.559 -18.750 -6.994 1.00 60.05 H new ATOM 0 HG3 LYS A 7 1.959 -18.333 -5.339 1.00 60.05 H new ATOM 0 HD2 LYS A 7 3.767 -19.679 -5.785 1.00 50.32 H new ATOM 0 HD3 LYS A 7 2.662 -20.920 -5.231 1.00 50.32 H new ATOM 0 HE2 LYS A 7 2.638 -20.180 -8.150 1.00 43.51 H new ATOM 0 HE3 LYS A 7 3.966 -21.151 -7.547 1.00 43.51 H new ATOM 0 HZ1 LYS A 7 2.527 -22.802 -8.030 1.00 52.51 H new ATOM 0 HZ2 LYS A 7 1.942 -22.474 -6.470 1.00 52.51 H new ATOM 0 HZ3 LYS A 7 1.144 -21.837 -7.827 1.00 52.51 H new ATOM 117 N ALA A 8 -2.884 -19.847 -6.597 1.00 21.01 N ATOM 118 CA ALA A 8 -4.131 -20.600 -6.536 1.00 5.13 C ATOM 119 C ALA A 8 -3.944 -22.015 -7.071 1.00 22.50 C ATOM 120 O ALA A 8 -3.158 -22.243 -7.992 1.00 15.14 O ATOM 121 CB ALA A 8 -5.221 -19.879 -7.314 1.00 12.10 C ATOM 0 H ALA A 8 -2.672 -19.456 -7.515 1.00 21.01 H new ATOM 0 HA ALA A 8 -4.433 -20.672 -5.491 1.00 5.13 H new ATOM 0 HB1 ALA A 8 -6.146 -20.452 -7.260 1.00 12.10 H new ATOM 0 HB2 ALA A 8 -5.381 -18.890 -6.884 1.00 12.10 H new ATOM 0 HB3 ALA A 8 -4.918 -19.777 -8.356 1.00 12.10 H new ATOM 127 N TYR A 9 -4.669 -22.964 -6.488 1.00 52.55 N ATOM 128 CA TYR A 9 -4.581 -24.358 -6.905 1.00 62.01 C ATOM 129 C TYR A 9 -5.965 -24.928 -7.199 1.00 13.34 C ATOM 130 O TYR A 9 -6.802 -25.050 -6.303 1.00 54.32 O ATOM 131 CB TYR A 9 -3.892 -25.193 -5.824 1.00 15.43 C ATOM 132 CG TYR A 9 -2.480 -24.746 -5.522 1.00 23.20 C ATOM 133 CD1 TYR A 9 -1.451 -24.968 -6.429 1.00 52.13 C ATOM 134 CD2 TYR A 9 -2.174 -24.102 -4.330 1.00 2.34 C ATOM 135 CE1 TYR A 9 -0.159 -24.562 -6.157 1.00 60.52 C ATOM 136 CE2 TYR A 9 -0.885 -23.691 -4.050 1.00 24.43 C ATOM 137 CZ TYR A 9 0.119 -23.924 -4.966 1.00 63.54 C ATOM 138 OH TYR A 9 1.405 -23.518 -4.692 1.00 50.23 O ATOM 0 H TYR A 9 -5.324 -22.793 -5.725 1.00 52.55 H new ATOM 0 HA TYR A 9 -3.990 -24.400 -7.820 1.00 62.01 H new ATOM 0 HB2 TYR A 9 -4.483 -25.146 -4.909 1.00 15.43 H new ATOM 0 HB3 TYR A 9 -3.874 -26.236 -6.139 1.00 15.43 H new ATOM 0 HD1 TYR A 9 -1.665 -25.467 -7.363 1.00 52.13 H new ATOM 0 HD2 TYR A 9 -2.957 -23.919 -3.609 1.00 2.34 H new ATOM 0 HE1 TYR A 9 0.629 -24.743 -6.873 1.00 60.52 H new ATOM 0 HE2 TYR A 9 -0.665 -23.190 -3.119 1.00 24.43 H new ATOM 0 HH TYR A 9 1.431 -23.084 -3.814 1.00 50.23 H new ATOM 148 N LEU A 10 -6.199 -25.276 -8.459 1.00 54.31 N ATOM 149 CA LEU A 10 -7.482 -25.834 -8.873 1.00 40.12 C ATOM 150 C LEU A 10 -7.539 -27.333 -8.596 1.00 4.32 C ATOM 151 O LEU A 10 -6.565 -28.053 -8.819 1.00 21.52 O ATOM 152 CB LEU A 10 -7.719 -25.570 -10.361 1.00 40.31 C ATOM 153 CG LEU A 10 -8.981 -26.191 -10.960 1.00 53.33 C ATOM 154 CD1 LEU A 10 -10.203 -25.820 -10.134 1.00 23.14 C ATOM 155 CD2 LEU A 10 -9.159 -25.748 -12.405 1.00 61.35 C ATOM 0 H LEU A 10 -5.517 -25.182 -9.212 1.00 54.31 H new ATOM 0 HA LEU A 10 -8.266 -25.346 -8.294 1.00 40.12 H new ATOM 0 HB2 LEU A 10 -7.760 -24.492 -10.516 1.00 40.31 H new ATOM 0 HB3 LEU A 10 -6.857 -25.940 -10.917 1.00 40.31 H new ATOM 0 HG LEU A 10 -8.872 -27.275 -10.943 1.00 53.33 H new ATOM 0 HD11 LEU A 10 -11.091 -26.271 -10.576 1.00 23.14 H new ATOM 0 HD12 LEU A 10 -10.078 -26.187 -9.115 1.00 23.14 H new ATOM 0 HD13 LEU A 10 -10.316 -24.736 -10.118 1.00 23.14 H new ATOM 0 HD21 LEU A 10 -10.062 -26.200 -12.815 1.00 61.35 H new ATOM 0 HD22 LEU A 10 -9.246 -24.662 -12.445 1.00 61.35 H new ATOM 0 HD23 LEU A 10 -8.296 -26.064 -12.991 1.00 61.35 H new ATOM 167 N LEU A 11 -8.685 -27.796 -8.110 1.00 61.35 N ATOM 168 CA LEU A 11 -8.870 -29.211 -7.805 1.00 11.33 C ATOM 169 C LEU A 11 -9.999 -29.805 -8.641 1.00 31.25 C ATOM 170 O LEU A 11 -11.130 -29.321 -8.609 1.00 44.15 O ATOM 171 CB LEU A 11 -9.170 -29.396 -6.316 1.00 52.12 C ATOM 172 CG LEU A 11 -8.423 -28.466 -5.360 1.00 42.31 C ATOM 173 CD1 LEU A 11 -8.702 -28.849 -3.915 1.00 63.31 C ATOM 174 CD2 LEU A 11 -6.928 -28.499 -5.644 1.00 10.45 C ATOM 0 H LEU A 11 -9.500 -27.213 -7.919 1.00 61.35 H new ATOM 0 HA LEU A 11 -7.947 -29.735 -8.051 1.00 11.33 H new ATOM 0 HB2 LEU A 11 -10.240 -29.259 -6.162 1.00 52.12 H new ATOM 0 HB3 LEU A 11 -8.938 -30.426 -6.044 1.00 52.12 H new ATOM 0 HG LEU A 11 -8.781 -27.449 -5.519 1.00 42.31 H new ATOM 0 HD11 LEU A 11 -8.162 -28.176 -3.249 1.00 63.31 H new ATOM 0 HD12 LEU A 11 -9.771 -28.773 -3.718 1.00 63.31 H new ATOM 0 HD13 LEU A 11 -8.373 -29.873 -3.740 1.00 63.31 H new ATOM 0 HD21 LEU A 11 -6.412 -27.831 -4.954 1.00 10.45 H new ATOM 0 HD22 LEU A 11 -6.555 -29.515 -5.513 1.00 10.45 H new ATOM 0 HD23 LEU A 11 -6.745 -28.175 -6.668 1.00 10.45 H new ATOM 186 N GLY A 12 -9.684 -30.860 -9.386 1.00 74.22 N ATOM 187 CA GLY A 12 -10.683 -31.505 -10.218 1.00 73.12 C ATOM 188 C GLY A 12 -11.522 -32.505 -9.447 1.00 54.32 C ATOM 189 O GLY A 12 -12.176 -32.152 -8.466 1.00 15.15 O ATOM 0 H GLY A 12 -8.755 -31.279 -9.428 1.00 74.22 H new ATOM 0 HA2 GLY A 12 -11.335 -30.747 -10.652 1.00 73.12 H new ATOM 0 HA3 GLY A 12 -10.189 -32.012 -11.047 1.00 73.12 H new ATOM 193 N LYS A 13 -11.506 -33.757 -9.892 1.00 52.54 N ATOM 194 CA LYS A 13 -12.271 -34.812 -9.239 1.00 13.43 C ATOM 195 C LYS A 13 -11.389 -35.614 -8.287 1.00 53.51 C ATOM 196 O LYS A 13 -11.866 -36.147 -7.286 1.00 13.31 O ATOM 197 CB LYS A 13 -12.891 -35.743 -10.283 1.00 40.43 C ATOM 198 CG LYS A 13 -13.545 -36.977 -9.687 1.00 2.24 C ATOM 199 CD LYS A 13 -12.662 -38.204 -9.839 1.00 32.30 C ATOM 200 CE LYS A 13 -13.204 -39.152 -10.898 1.00 62.20 C ATOM 201 NZ LYS A 13 -12.710 -38.804 -12.259 1.00 41.20 N ATOM 0 H LYS A 13 -10.971 -34.066 -10.703 1.00 52.54 H new ATOM 0 HA LYS A 13 -13.068 -34.343 -8.661 1.00 13.43 H new ATOM 0 HB2 LYS A 13 -13.635 -35.189 -10.855 1.00 40.43 H new ATOM 0 HB3 LYS A 13 -12.117 -36.055 -10.984 1.00 40.43 H new ATOM 0 HG2 LYS A 13 -13.753 -36.806 -8.631 1.00 2.24 H new ATOM 0 HG3 LYS A 13 -14.503 -37.154 -10.176 1.00 2.24 H new ATOM 0 HD2 LYS A 13 -11.652 -37.896 -10.108 1.00 32.30 H new ATOM 0 HD3 LYS A 13 -12.593 -38.725 -8.884 1.00 32.30 H new ATOM 0 HE2 LYS A 13 -12.911 -40.173 -10.655 1.00 62.20 H new ATOM 0 HE3 LYS A 13 -14.294 -39.122 -10.889 1.00 62.20 H new ATOM 0 HZ1 LYS A 13 -13.102 -39.473 -12.952 1.00 41.20 H new ATOM 0 HZ2 LYS A 13 -13.011 -37.839 -12.501 1.00 41.20 H new ATOM 0 HZ3 LYS A 13 -11.671 -38.857 -12.275 1.00 41.20 H new ATOM 215 N GLU A 14 -10.101 -35.693 -8.606 1.00 52.13 N ATOM 216 CA GLU A 14 -9.154 -36.430 -7.778 1.00 43.52 C ATOM 217 C GLU A 14 -8.444 -35.496 -6.801 1.00 53.05 C ATOM 218 O GLU A 14 -7.398 -35.837 -6.250 1.00 75.21 O ATOM 219 CB GLU A 14 -8.124 -37.145 -8.655 1.00 75.35 C ATOM 220 CG GLU A 14 -8.736 -38.163 -9.604 1.00 42.31 C ATOM 221 CD GLU A 14 -7.689 -38.966 -10.351 1.00 71.32 C ATOM 222 OE1 GLU A 14 -6.867 -38.352 -11.063 1.00 72.02 O ATOM 223 OE2 GLU A 14 -7.692 -40.208 -10.224 1.00 61.43 O ATOM 0 H GLU A 14 -9.690 -35.256 -9.431 1.00 52.13 H new ATOM 0 HA GLU A 14 -9.712 -37.172 -7.206 1.00 43.52 H new ATOM 0 HB2 GLU A 14 -7.576 -36.403 -9.235 1.00 75.35 H new ATOM 0 HB3 GLU A 14 -7.399 -37.647 -8.014 1.00 75.35 H new ATOM 0 HG2 GLU A 14 -9.375 -38.842 -9.040 1.00 42.31 H new ATOM 0 HG3 GLU A 14 -9.374 -37.648 -10.322 1.00 42.31 H new ATOM 230 N GLU A 15 -9.022 -34.317 -6.594 1.00 5.41 N ATOM 231 CA GLU A 15 -8.444 -33.333 -5.685 1.00 63.42 C ATOM 232 C GLU A 15 -6.975 -33.084 -6.016 1.00 51.32 C ATOM 233 O GLU A 15 -6.173 -32.774 -5.135 1.00 73.44 O ATOM 234 CB GLU A 15 -8.578 -33.805 -4.236 1.00 11.13 C ATOM 235 CG GLU A 15 -10.006 -34.131 -3.832 1.00 11.45 C ATOM 236 CD GLU A 15 -10.147 -34.390 -2.344 1.00 43.11 C ATOM 237 OE1 GLU A 15 -10.124 -33.412 -1.567 1.00 72.14 O ATOM 238 OE2 GLU A 15 -10.279 -35.570 -1.957 1.00 2.52 O ATOM 0 H GLU A 15 -9.889 -34.020 -7.042 1.00 5.41 H new ATOM 0 HA GLU A 15 -8.990 -32.398 -5.807 1.00 63.42 H new ATOM 0 HB2 GLU A 15 -7.958 -34.690 -4.092 1.00 11.13 H new ATOM 0 HB3 GLU A 15 -8.189 -33.032 -3.573 1.00 11.13 H new ATOM 0 HG2 GLU A 15 -10.658 -33.305 -4.117 1.00 11.45 H new ATOM 0 HG3 GLU A 15 -10.344 -35.008 -4.383 1.00 11.45 H new ATOM 245 N ALA A 16 -6.631 -33.221 -7.292 1.00 43.15 N ATOM 246 CA ALA A 16 -5.260 -33.009 -7.741 1.00 31.11 C ATOM 247 C ALA A 16 -5.126 -31.689 -8.492 1.00 0.44 C ATOM 248 O ALA A 16 -6.103 -31.167 -9.029 1.00 24.31 O ATOM 249 CB ALA A 16 -4.807 -34.166 -8.619 1.00 74.12 C ATOM 0 H ALA A 16 -7.283 -33.478 -8.033 1.00 43.15 H new ATOM 0 HA ALA A 16 -4.619 -32.963 -6.861 1.00 31.11 H new ATOM 0 HB1 ALA A 16 -3.782 -33.994 -8.947 1.00 74.12 H new ATOM 0 HB2 ALA A 16 -4.855 -35.095 -8.051 1.00 74.12 H new ATOM 0 HB3 ALA A 16 -5.459 -34.239 -9.490 1.00 74.12 H new ATOM 255 N ALA A 17 -3.910 -31.152 -8.524 1.00 34.43 N ATOM 256 CA ALA A 17 -3.649 -29.893 -9.210 1.00 22.22 C ATOM 257 C ALA A 17 -4.106 -29.955 -10.663 1.00 44.33 C ATOM 258 O ALA A 17 -3.528 -30.678 -11.475 1.00 73.21 O ATOM 259 CB ALA A 17 -2.169 -29.548 -9.134 1.00 22.33 C ATOM 0 H ALA A 17 -3.091 -31.570 -8.083 1.00 34.43 H new ATOM 0 HA ALA A 17 -4.219 -29.110 -8.710 1.00 22.22 H new ATOM 0 HB1 ALA A 17 -1.988 -28.605 -9.650 1.00 22.33 H new ATOM 0 HB2 ALA A 17 -1.871 -29.453 -8.090 1.00 22.33 H new ATOM 0 HB3 ALA A 17 -1.586 -30.338 -9.607 1.00 22.33 H new ATOM 265 N ARG A 18 -5.145 -29.192 -10.985 1.00 35.12 N ATOM 266 CA ARG A 18 -5.681 -29.162 -12.341 1.00 3.15 C ATOM 267 C ARG A 18 -5.205 -27.918 -13.085 1.00 63.14 C ATOM 268 O ARG A 18 -5.002 -27.950 -14.299 1.00 0.24 O ATOM 269 CB ARG A 18 -7.210 -29.196 -12.309 1.00 22.51 C ATOM 270 CG ARG A 18 -7.789 -30.598 -12.408 1.00 35.00 C ATOM 271 CD ARG A 18 -8.125 -30.962 -13.846 1.00 5.01 C ATOM 272 NE ARG A 18 -6.984 -31.552 -14.541 1.00 43.33 N ATOM 273 CZ ARG A 18 -6.483 -32.747 -14.250 1.00 31.13 C ATOM 274 NH1 ARG A 18 -7.020 -33.476 -13.281 1.00 73.23 N ATOM 275 NH2 ARG A 18 -5.443 -33.216 -14.928 1.00 11.43 N ATOM 0 H ARG A 18 -5.633 -28.586 -10.325 1.00 35.12 H new ATOM 0 HA ARG A 18 -5.316 -30.043 -12.869 1.00 3.15 H new ATOM 0 HB2 ARG A 18 -7.556 -28.733 -11.385 1.00 22.51 H new ATOM 0 HB3 ARG A 18 -7.596 -28.593 -13.131 1.00 22.51 H new ATOM 0 HG2 ARG A 18 -7.075 -31.317 -12.007 1.00 35.00 H new ATOM 0 HG3 ARG A 18 -8.688 -30.666 -11.795 1.00 35.00 H new ATOM 0 HD2 ARG A 18 -8.959 -31.664 -13.857 1.00 5.01 H new ATOM 0 HD3 ARG A 18 -8.452 -30.069 -14.379 1.00 5.01 H new ATOM 0 HE ARG A 18 -6.548 -31.017 -15.292 1.00 43.33 H new ATOM 0 HH11 ARG A 18 -7.819 -33.119 -12.758 1.00 73.23 H new ATOM 0 HH12 ARG A 18 -6.634 -34.394 -13.059 1.00 73.23 H new ATOM 0 HH21 ARG A 18 -5.027 -32.658 -15.674 1.00 11.43 H new ATOM 0 HH22 ARG A 18 -5.060 -34.134 -14.703 1.00 11.43 H new ATOM 289 N GLU A 19 -5.029 -26.825 -12.350 1.00 12.13 N ATOM 290 CA GLU A 19 -4.579 -25.571 -12.942 1.00 4.23 C ATOM 291 C GLU A 19 -3.895 -24.691 -11.899 1.00 21.44 C ATOM 292 O GLU A 19 -4.230 -24.740 -10.715 1.00 30.33 O ATOM 293 CB GLU A 19 -5.759 -24.821 -13.562 1.00 51.23 C ATOM 294 CG GLU A 19 -5.384 -23.466 -14.139 1.00 51.00 C ATOM 295 CD GLU A 19 -4.363 -23.569 -15.256 1.00 35.53 C ATOM 296 OE1 GLU A 19 -4.603 -24.342 -16.207 1.00 63.14 O ATOM 297 OE2 GLU A 19 -3.326 -22.879 -15.178 1.00 52.22 O ATOM 0 H GLU A 19 -5.191 -26.782 -11.344 1.00 12.13 H new ATOM 0 HA GLU A 19 -3.857 -25.807 -13.723 1.00 4.23 H new ATOM 0 HB2 GLU A 19 -6.194 -25.434 -14.351 1.00 51.23 H new ATOM 0 HB3 GLU A 19 -6.530 -24.683 -12.804 1.00 51.23 H new ATOM 0 HG2 GLU A 19 -6.281 -22.975 -14.516 1.00 51.00 H new ATOM 0 HG3 GLU A 19 -4.985 -22.835 -13.345 1.00 51.00 H new ATOM 304 N ILE A 20 -2.935 -23.889 -12.347 1.00 34.20 N ATOM 305 CA ILE A 20 -2.205 -22.999 -11.453 1.00 51.13 C ATOM 306 C ILE A 20 -2.204 -21.569 -11.982 1.00 43.35 C ATOM 307 O ILE A 20 -1.830 -21.321 -13.129 1.00 1.41 O ATOM 308 CB ILE A 20 -0.750 -23.464 -11.261 1.00 23.43 C ATOM 309 CG1 ILE A 20 -0.716 -24.906 -10.750 1.00 62.30 C ATOM 310 CG2 ILE A 20 -0.020 -22.539 -10.298 1.00 55.34 C ATOM 311 CD1 ILE A 20 0.682 -25.471 -10.625 1.00 42.54 C ATOM 0 H ILE A 20 -2.645 -23.837 -13.323 1.00 34.20 H new ATOM 0 HA ILE A 20 -2.717 -23.028 -10.491 1.00 51.13 H new ATOM 0 HB ILE A 20 -0.243 -23.427 -12.225 1.00 23.43 H new ATOM 0 HG12 ILE A 20 -1.205 -24.949 -9.777 1.00 62.30 H new ATOM 0 HG13 ILE A 20 -1.295 -25.536 -11.426 1.00 62.30 H new ATOM 0 HG21 ILE A 20 1.007 -22.881 -10.173 1.00 55.34 H new ATOM 0 HG22 ILE A 20 -0.018 -21.525 -10.698 1.00 55.34 H new ATOM 0 HG23 ILE A 20 -0.525 -22.547 -9.332 1.00 55.34 H new ATOM 0 HD11 ILE A 20 0.629 -26.496 -10.258 1.00 42.54 H new ATOM 0 HD12 ILE A 20 1.167 -25.460 -11.601 1.00 42.54 H new ATOM 0 HD13 ILE A 20 1.258 -24.865 -9.926 1.00 42.54 H new ATOM 323 N ARG A 21 -2.623 -20.631 -11.139 1.00 23.11 N ATOM 324 CA ARG A 21 -2.669 -19.225 -11.521 1.00 73.03 C ATOM 325 C ARG A 21 -2.483 -18.324 -10.304 1.00 22.10 C ATOM 326 O ARG A 21 -3.182 -18.466 -9.301 1.00 75.41 O ATOM 327 CB ARG A 21 -3.999 -18.905 -12.207 1.00 43.22 C ATOM 328 CG ARG A 21 -3.984 -19.147 -13.708 1.00 22.03 C ATOM 329 CD ARG A 21 -3.038 -18.190 -14.417 1.00 34.20 C ATOM 330 NE ARG A 21 -3.375 -18.035 -15.830 1.00 23.23 N ATOM 331 CZ ARG A 21 -3.014 -18.901 -16.770 1.00 60.13 C ATOM 332 NH1 ARG A 21 -2.310 -19.978 -16.450 1.00 3.21 N ATOM 333 NH2 ARG A 21 -3.358 -18.691 -18.034 1.00 52.14 N ATOM 0 H ARG A 21 -2.936 -20.820 -10.187 1.00 23.11 H new ATOM 0 HA ARG A 21 -1.853 -19.037 -12.218 1.00 73.03 H new ATOM 0 HB2 ARG A 21 -4.785 -19.512 -11.758 1.00 43.22 H new ATOM 0 HB3 ARG A 21 -4.254 -17.862 -12.018 1.00 43.22 H new ATOM 0 HG2 ARG A 21 -3.682 -20.175 -13.909 1.00 22.03 H new ATOM 0 HG3 ARG A 21 -4.991 -19.027 -14.107 1.00 22.03 H new ATOM 0 HD2 ARG A 21 -3.072 -17.217 -13.927 1.00 34.20 H new ATOM 0 HD3 ARG A 21 -2.016 -18.557 -14.326 1.00 34.20 H new ATOM 0 HE ARG A 21 -3.917 -17.217 -16.110 1.00 23.23 H new ATOM 0 HH11 ARG A 21 -2.044 -20.144 -15.479 1.00 3.21 H new ATOM 0 HH12 ARG A 21 -2.034 -20.641 -17.175 1.00 3.21 H new ATOM 0 HH21 ARG A 21 -3.900 -17.864 -18.284 1.00 52.14 H new ATOM 0 HH22 ARG A 21 -3.080 -19.357 -18.755 1.00 52.14 H new ATOM 347 N ARG A 22 -1.535 -17.398 -10.400 1.00 3.34 N ATOM 348 CA ARG A 22 -1.255 -16.475 -9.306 1.00 70.00 C ATOM 349 C ARG A 22 -1.273 -15.030 -9.796 1.00 25.01 C ATOM 350 O ARG A 22 -1.148 -14.768 -10.992 1.00 43.53 O ATOM 351 CB ARG A 22 0.102 -16.795 -8.675 1.00 54.53 C ATOM 352 CG ARG A 22 1.285 -16.392 -9.540 1.00 1.54 C ATOM 353 CD ARG A 22 2.593 -16.923 -8.976 1.00 24.34 C ATOM 354 NE ARG A 22 3.748 -16.456 -9.738 1.00 61.31 N ATOM 355 CZ ARG A 22 4.122 -16.980 -10.900 1.00 25.52 C ATOM 356 NH1 ARG A 22 3.436 -17.984 -11.430 1.00 45.51 N ATOM 357 NH2 ARG A 22 5.185 -16.501 -11.534 1.00 11.11 N ATOM 0 H ARG A 22 -0.948 -17.267 -11.224 1.00 3.34 H new ATOM 0 HA ARG A 22 -2.035 -16.595 -8.554 1.00 70.00 H new ATOM 0 HB2 ARG A 22 0.175 -16.286 -7.714 1.00 54.53 H new ATOM 0 HB3 ARG A 22 0.157 -17.865 -8.474 1.00 54.53 H new ATOM 0 HG2 ARG A 22 1.143 -16.771 -10.552 1.00 1.54 H new ATOM 0 HG3 ARG A 22 1.332 -15.305 -9.610 1.00 1.54 H new ATOM 0 HD2 ARG A 22 2.693 -16.609 -7.937 1.00 24.34 H new ATOM 0 HD3 ARG A 22 2.573 -18.013 -8.979 1.00 24.34 H new ATOM 0 HE ARG A 22 4.297 -15.686 -9.357 1.00 61.31 H new ATOM 0 HH11 ARG A 22 2.619 -18.356 -10.945 1.00 45.51 H new ATOM 0 HH12 ARG A 22 3.725 -18.384 -12.322 1.00 45.51 H new ATOM 0 HH21 ARG A 22 5.716 -15.730 -11.129 1.00 11.11 H new ATOM 0 HH22 ARG A 22 5.471 -16.904 -12.426 1.00 11.11 H new ATOM 371 N PHE A 23 -1.429 -14.096 -8.863 1.00 61.43 N ATOM 372 CA PHE A 23 -1.464 -12.678 -9.200 1.00 14.11 C ATOM 373 C PHE A 23 -1.010 -11.827 -8.018 1.00 11.13 C ATOM 374 O PHE A 23 -1.075 -12.259 -6.867 1.00 13.42 O ATOM 375 CB PHE A 23 -2.876 -12.268 -9.625 1.00 61.22 C ATOM 376 CG PHE A 23 -3.878 -12.323 -8.508 1.00 73.10 C ATOM 377 CD1 PHE A 23 -4.099 -11.217 -7.703 1.00 22.45 C ATOM 378 CD2 PHE A 23 -4.600 -13.480 -8.264 1.00 14.03 C ATOM 379 CE1 PHE A 23 -5.020 -11.266 -6.673 1.00 40.34 C ATOM 380 CE2 PHE A 23 -5.523 -13.534 -7.236 1.00 74.01 C ATOM 381 CZ PHE A 23 -5.734 -12.425 -6.441 1.00 11.14 C ATOM 0 H PHE A 23 -1.533 -14.296 -7.868 1.00 61.43 H new ATOM 0 HA PHE A 23 -0.778 -12.510 -10.031 1.00 14.11 H new ATOM 0 HB2 PHE A 23 -2.846 -11.255 -10.026 1.00 61.22 H new ATOM 0 HB3 PHE A 23 -3.208 -12.921 -10.432 1.00 61.22 H new ATOM 0 HD1 PHE A 23 -3.546 -10.307 -7.882 1.00 22.45 H new ATOM 0 HD2 PHE A 23 -4.440 -14.350 -8.884 1.00 14.03 H new ATOM 0 HE1 PHE A 23 -5.181 -10.398 -6.050 1.00 40.34 H new ATOM 0 HE2 PHE A 23 -6.078 -14.442 -7.055 1.00 74.01 H new ATOM 0 HZ PHE A 23 -6.456 -12.464 -5.639 1.00 11.14 H new ATOM 391 N SER A 24 -0.549 -10.615 -8.311 1.00 72.10 N ATOM 392 CA SER A 24 -0.080 -9.704 -7.274 1.00 25.12 C ATOM 393 C SER A 24 -1.250 -9.144 -6.472 1.00 14.10 C ATOM 394 O SER A 24 -2.217 -8.632 -7.038 1.00 22.14 O ATOM 395 CB SER A 24 0.722 -8.559 -7.896 1.00 12.12 C ATOM 396 OG SER A 24 0.132 -8.124 -9.109 1.00 23.11 O ATOM 0 H SER A 24 -0.490 -10.241 -9.258 1.00 72.10 H new ATOM 0 HA SER A 24 0.565 -10.265 -6.598 1.00 25.12 H new ATOM 0 HB2 SER A 24 0.776 -7.726 -7.195 1.00 12.12 H new ATOM 0 HB3 SER A 24 1.745 -8.886 -8.082 1.00 12.12 H new ATOM 0 HG SER A 24 0.662 -7.391 -9.486 1.00 23.11 H new ATOM 402 N PHE A 25 -1.156 -9.245 -5.150 1.00 53.32 N ATOM 403 CA PHE A 25 -2.207 -8.750 -4.269 1.00 13.50 C ATOM 404 C PHE A 25 -1.662 -7.694 -3.311 1.00 64.42 C ATOM 405 O PHE A 25 -0.499 -7.749 -2.907 1.00 54.13 O ATOM 406 CB PHE A 25 -2.824 -9.904 -3.476 1.00 64.13 C ATOM 407 CG PHE A 25 -4.035 -9.507 -2.682 1.00 41.41 C ATOM 408 CD1 PHE A 25 -5.232 -9.219 -3.317 1.00 52.54 C ATOM 409 CD2 PHE A 25 -3.977 -9.422 -1.300 1.00 44.45 C ATOM 410 CE1 PHE A 25 -6.348 -8.852 -2.589 1.00 0.21 C ATOM 411 CE2 PHE A 25 -5.089 -9.056 -0.567 1.00 13.24 C ATOM 412 CZ PHE A 25 -6.277 -8.772 -1.212 1.00 1.42 C ATOM 0 H PHE A 25 -0.363 -9.665 -4.666 1.00 53.32 H new ATOM 0 HA PHE A 25 -2.978 -8.291 -4.888 1.00 13.50 H new ATOM 0 HB2 PHE A 25 -3.098 -10.702 -4.166 1.00 64.13 H new ATOM 0 HB3 PHE A 25 -2.073 -10.311 -2.799 1.00 64.13 H new ATOM 0 HD1 PHE A 25 -5.294 -9.282 -4.393 1.00 52.54 H new ATOM 0 HD2 PHE A 25 -3.051 -9.645 -0.790 1.00 44.45 H new ATOM 0 HE1 PHE A 25 -7.275 -8.628 -3.096 1.00 0.21 H new ATOM 0 HE2 PHE A 25 -5.030 -8.992 0.509 1.00 13.24 H new ATOM 0 HZ PHE A 25 -7.148 -8.488 -0.641 1.00 1.42 H new ATOM 598 N GLY A 40 -13.955 -6.509 0.693 1.00 20.53 N ATOM 599 CA GLY A 40 -12.800 -5.800 0.174 1.00 74.00 C ATOM 600 C GLY A 40 -11.729 -6.738 -0.345 1.00 43.00 C ATOM 601 O GLY A 40 -11.569 -6.926 -1.551 1.00 74.23 O ATOM 0 HA2 GLY A 40 -13.117 -5.135 -0.630 1.00 74.00 H new ATOM 0 HA3 GLY A 40 -12.379 -5.173 0.960 1.00 74.00 H new ATOM 605 N PRO A 41 -10.969 -7.345 0.579 1.00 14.54 N ATOM 606 CA PRO A 41 -9.893 -8.277 0.232 1.00 31.20 C ATOM 607 C PRO A 41 -10.424 -9.590 -0.335 1.00 3.42 C ATOM 608 O PRO A 41 -9.960 -10.060 -1.375 1.00 15.15 O ATOM 609 CB PRO A 41 -9.188 -8.519 1.569 1.00 44.51 C ATOM 610 CG PRO A 41 -10.229 -8.252 2.600 1.00 0.13 C ATOM 611 CD PRO A 41 -11.103 -7.167 2.035 1.00 35.01 C ATOM 0 HA PRO A 41 -9.240 -7.875 -0.543 1.00 31.20 H new ATOM 0 HB2 PRO A 41 -8.813 -9.540 1.640 1.00 44.51 H new ATOM 0 HB3 PRO A 41 -8.331 -7.856 1.690 1.00 44.51 H new ATOM 0 HG2 PRO A 41 -10.809 -9.150 2.810 1.00 0.13 H new ATOM 0 HG3 PRO A 41 -9.776 -7.938 3.540 1.00 0.13 H new ATOM 0 HD2 PRO A 41 -12.138 -7.275 2.360 1.00 35.01 H new ATOM 0 HD3 PRO A 41 -10.771 -6.178 2.351 1.00 35.01 H new ATOM 619 N CYS A 42 -11.397 -10.175 0.354 1.00 62.42 N ATOM 620 CA CYS A 42 -11.990 -11.435 -0.081 1.00 55.35 C ATOM 621 C CYS A 42 -12.588 -11.300 -1.478 1.00 64.14 C ATOM 622 O CYS A 42 -12.231 -12.045 -2.390 1.00 65.04 O ATOM 623 CB CYS A 42 -13.069 -11.883 0.906 1.00 2.53 C ATOM 624 SG CYS A 42 -13.931 -13.396 0.422 1.00 64.40 S ATOM 0 H CYS A 42 -11.792 -9.798 1.215 1.00 62.42 H new ATOM 0 HA CYS A 42 -11.202 -12.187 -0.113 1.00 55.35 H new ATOM 0 HB2 CYS A 42 -12.611 -12.035 1.883 1.00 2.53 H new ATOM 0 HB3 CYS A 42 -13.799 -11.082 1.018 1.00 2.53 H new ATOM 0 HG CYS A 42 -15.197 -13.281 0.695 1.00 64.40 H new ATOM 630 N GLU A 43 -13.500 -10.346 -1.637 1.00 44.02 N ATOM 631 CA GLU A 43 -14.148 -10.116 -2.923 1.00 20.20 C ATOM 632 C GLU A 43 -13.119 -9.779 -3.998 1.00 72.15 C ATOM 633 O GLU A 43 -13.349 -10.010 -5.186 1.00 4.22 O ATOM 634 CB GLU A 43 -15.172 -8.985 -2.808 1.00 45.32 C ATOM 635 CG GLU A 43 -14.549 -7.628 -2.524 1.00 15.11 C ATOM 636 CD GLU A 43 -15.515 -6.482 -2.761 1.00 24.53 C ATOM 637 OE1 GLU A 43 -16.468 -6.662 -3.546 1.00 74.41 O ATOM 638 OE2 GLU A 43 -15.316 -5.406 -2.160 1.00 5.14 O ATOM 0 H GLU A 43 -13.807 -9.720 -0.892 1.00 44.02 H new ATOM 0 HA GLU A 43 -14.662 -11.033 -3.212 1.00 20.20 H new ATOM 0 HB2 GLU A 43 -15.743 -8.927 -3.735 1.00 45.32 H new ATOM 0 HB3 GLU A 43 -15.878 -9.225 -2.013 1.00 45.32 H new ATOM 0 HG2 GLU A 43 -14.204 -7.600 -1.490 1.00 15.11 H new ATOM 0 HG3 GLU A 43 -13.671 -7.495 -3.157 1.00 15.11 H new ATOM 645 N ARG A 44 -11.985 -9.231 -3.573 1.00 74.45 N ATOM 646 CA ARG A 44 -10.922 -8.861 -4.499 1.00 40.53 C ATOM 647 C ARG A 44 -10.197 -10.099 -5.019 1.00 53.30 C ATOM 648 O ARG A 44 -9.758 -10.137 -6.169 1.00 72.32 O ATOM 649 CB ARG A 44 -9.925 -7.923 -3.816 1.00 15.35 C ATOM 650 CG ARG A 44 -10.196 -6.450 -4.078 1.00 34.23 C ATOM 651 CD ARG A 44 -9.237 -5.561 -3.303 1.00 43.41 C ATOM 652 NE ARG A 44 -7.903 -5.546 -3.898 1.00 22.44 N ATOM 653 CZ ARG A 44 -7.604 -4.896 -5.016 1.00 42.25 C ATOM 654 NH1 ARG A 44 -8.539 -4.210 -5.658 1.00 51.34 N ATOM 655 NH2 ARG A 44 -6.367 -4.930 -5.495 1.00 64.40 N ATOM 0 H ARG A 44 -11.779 -9.034 -2.594 1.00 74.45 H new ATOM 0 HA ARG A 44 -11.376 -8.345 -5.345 1.00 40.53 H new ATOM 0 HB2 ARG A 44 -9.948 -8.102 -2.741 1.00 15.35 H new ATOM 0 HB3 ARG A 44 -8.919 -8.165 -4.158 1.00 15.35 H new ATOM 0 HG2 ARG A 44 -10.102 -6.246 -5.145 1.00 34.23 H new ATOM 0 HG3 ARG A 44 -11.222 -6.212 -3.797 1.00 34.23 H new ATOM 0 HD2 ARG A 44 -9.631 -4.545 -3.270 1.00 43.41 H new ATOM 0 HD3 ARG A 44 -9.171 -5.911 -2.273 1.00 43.41 H new ATOM 0 HE ARG A 44 -7.160 -6.064 -3.428 1.00 22.44 H new ATOM 0 HH11 ARG A 44 -9.491 -4.181 -5.293 1.00 51.34 H new ATOM 0 HH12 ARG A 44 -8.306 -3.711 -6.517 1.00 51.34 H new ATOM 0 HH21 ARG A 44 -5.644 -5.456 -5.004 1.00 64.40 H new ATOM 0 HH22 ARG A 44 -6.139 -4.430 -6.354 1.00 64.40 H new ATOM 669 N LEU A 45 -10.075 -11.108 -4.164 1.00 71.45 N ATOM 670 CA LEU A 45 -9.403 -12.349 -4.537 1.00 11.44 C ATOM 671 C LEU A 45 -10.340 -13.261 -5.323 1.00 5.33 C ATOM 672 O LEU A 45 -10.005 -13.717 -6.417 1.00 13.01 O ATOM 673 CB LEU A 45 -8.897 -13.072 -3.288 1.00 35.55 C ATOM 674 CG LEU A 45 -8.523 -14.544 -3.470 1.00 12.24 C ATOM 675 CD1 LEU A 45 -7.504 -14.701 -4.587 1.00 42.11 C ATOM 676 CD2 LEU A 45 -7.985 -15.122 -2.169 1.00 70.20 C ATOM 0 H LEU A 45 -10.432 -11.092 -3.209 1.00 71.45 H new ATOM 0 HA LEU A 45 -8.554 -12.097 -5.173 1.00 11.44 H new ATOM 0 HB2 LEU A 45 -8.023 -12.539 -2.913 1.00 35.55 H new ATOM 0 HB3 LEU A 45 -9.665 -13.006 -2.518 1.00 35.55 H new ATOM 0 HG LEU A 45 -9.421 -15.096 -3.746 1.00 12.24 H new ATOM 0 HD11 LEU A 45 -7.250 -15.755 -4.702 1.00 42.11 H new ATOM 0 HD12 LEU A 45 -7.925 -14.325 -5.519 1.00 42.11 H new ATOM 0 HD13 LEU A 45 -6.605 -14.136 -4.342 1.00 42.11 H new ATOM 0 HD21 LEU A 45 -7.724 -16.170 -2.317 1.00 70.20 H new ATOM 0 HD22 LEU A 45 -7.098 -14.567 -1.863 1.00 70.20 H new ATOM 0 HD23 LEU A 45 -8.747 -15.044 -1.394 1.00 70.20 H new ATOM 688 N LEU A 46 -11.514 -13.521 -4.759 1.00 51.13 N ATOM 689 CA LEU A 46 -12.501 -14.377 -5.408 1.00 51.14 C ATOM 690 C LEU A 46 -12.852 -13.848 -6.795 1.00 73.23 C ATOM 691 O LEU A 46 -13.319 -14.595 -7.655 1.00 60.04 O ATOM 692 CB LEU A 46 -13.765 -14.472 -4.551 1.00 64.34 C ATOM 693 CG LEU A 46 -13.733 -15.502 -3.421 1.00 42.41 C ATOM 694 CD1 LEU A 46 -13.632 -16.910 -3.985 1.00 22.53 C ATOM 695 CD2 LEU A 46 -12.575 -15.219 -2.475 1.00 62.31 C ATOM 0 H LEU A 46 -11.806 -13.152 -3.854 1.00 51.13 H new ATOM 0 HA LEU A 46 -12.068 -15.371 -5.517 1.00 51.14 H new ATOM 0 HB2 LEU A 46 -13.960 -13.491 -4.117 1.00 64.34 H new ATOM 0 HB3 LEU A 46 -14.606 -14.704 -5.204 1.00 64.34 H new ATOM 0 HG LEU A 46 -14.663 -15.425 -2.858 1.00 42.41 H new ATOM 0 HD11 LEU A 46 -13.610 -17.629 -3.166 1.00 22.53 H new ATOM 0 HD12 LEU A 46 -14.494 -17.110 -4.621 1.00 22.53 H new ATOM 0 HD13 LEU A 46 -12.719 -17.002 -4.573 1.00 22.53 H new ATOM 0 HD21 LEU A 46 -12.567 -15.961 -1.677 1.00 62.31 H new ATOM 0 HD22 LEU A 46 -11.635 -15.268 -3.025 1.00 62.31 H new ATOM 0 HD23 LEU A 46 -12.692 -14.225 -2.044 1.00 62.31 H new ATOM 707 N SER A 47 -12.623 -12.556 -7.006 1.00 62.11 N ATOM 708 CA SER A 47 -12.916 -11.927 -8.288 1.00 54.24 C ATOM 709 C SER A 47 -11.958 -12.421 -9.368 1.00 11.40 C ATOM 710 O SER A 47 -12.377 -12.781 -10.468 1.00 14.20 O ATOM 711 CB SER A 47 -12.824 -10.405 -8.166 1.00 53.53 C ATOM 712 OG SER A 47 -14.113 -9.816 -8.135 1.00 72.54 O ATOM 0 H SER A 47 -12.235 -11.924 -6.305 1.00 62.11 H new ATOM 0 HA SER A 47 -13.931 -12.201 -8.575 1.00 54.24 H new ATOM 0 HB2 SER A 47 -12.279 -10.142 -7.259 1.00 53.53 H new ATOM 0 HB3 SER A 47 -12.258 -10.003 -9.006 1.00 53.53 H new ATOM 0 HG SER A 47 -14.375 -9.650 -7.205 1.00 72.54 H new ATOM 718 N ARG A 48 -10.669 -12.434 -9.045 1.00 31.22 N ATOM 719 CA ARG A 48 -9.650 -12.882 -9.986 1.00 71.34 C ATOM 720 C ARG A 48 -9.756 -14.385 -10.228 1.00 74.11 C ATOM 721 O ARG A 48 -9.734 -14.844 -11.370 1.00 64.12 O ATOM 722 CB ARG A 48 -8.255 -12.536 -9.463 1.00 63.53 C ATOM 723 CG ARG A 48 -8.157 -11.143 -8.865 1.00 4.30 C ATOM 724 CD ARG A 48 -8.682 -10.086 -9.824 1.00 61.35 C ATOM 725 NE ARG A 48 -7.922 -10.053 -11.071 1.00 43.30 N ATOM 726 CZ ARG A 48 -8.375 -9.506 -12.194 1.00 3.34 C ATOM 727 NH1 ARG A 48 -9.578 -8.949 -12.225 1.00 63.23 N ATOM 728 NH2 ARG A 48 -7.624 -9.514 -13.287 1.00 64.24 N ATOM 0 H ARG A 48 -10.306 -12.139 -8.139 1.00 31.22 H new ATOM 0 HA ARG A 48 -9.814 -12.367 -10.932 1.00 71.34 H new ATOM 0 HB2 ARG A 48 -7.968 -13.267 -8.708 1.00 63.53 H new ATOM 0 HB3 ARG A 48 -7.538 -12.623 -10.280 1.00 63.53 H new ATOM 0 HG2 ARG A 48 -8.723 -11.105 -7.934 1.00 4.30 H new ATOM 0 HG3 ARG A 48 -7.119 -10.925 -8.615 1.00 4.30 H new ATOM 0 HD2 ARG A 48 -9.731 -10.285 -10.044 1.00 61.35 H new ATOM 0 HD3 ARG A 48 -8.636 -9.108 -9.346 1.00 61.35 H new ATOM 0 HE ARG A 48 -6.992 -10.473 -11.080 1.00 43.30 H new ATOM 0 HH11 ARG A 48 -10.158 -8.940 -11.386 1.00 63.23 H new ATOM 0 HH12 ARG A 48 -9.924 -8.530 -13.088 1.00 63.23 H new ATOM 0 HH21 ARG A 48 -6.698 -9.940 -13.266 1.00 64.24 H new ATOM 0 HH22 ARG A 48 -7.973 -9.094 -14.149 1.00 64.24 H new ATOM 742 N VAL A 49 -9.872 -15.147 -9.145 1.00 11.22 N ATOM 743 CA VAL A 49 -9.982 -16.598 -9.239 1.00 15.44 C ATOM 744 C VAL A 49 -11.044 -17.003 -10.255 1.00 63.51 C ATOM 745 O VAL A 49 -10.925 -18.037 -10.912 1.00 51.15 O ATOM 746 CB VAL A 49 -10.328 -17.224 -7.874 1.00 50.44 C ATOM 747 CG1 VAL A 49 -10.372 -18.740 -7.978 1.00 61.54 C ATOM 748 CG2 VAL A 49 -9.327 -16.782 -6.817 1.00 71.23 C ATOM 0 H VAL A 49 -9.892 -14.784 -8.192 1.00 11.22 H new ATOM 0 HA VAL A 49 -9.010 -16.969 -9.565 1.00 15.44 H new ATOM 0 HB VAL A 49 -11.316 -16.876 -7.574 1.00 50.44 H new ATOM 0 HG11 VAL A 49 -10.618 -19.164 -7.005 1.00 61.54 H new ATOM 0 HG12 VAL A 49 -11.131 -19.033 -8.704 1.00 61.54 H new ATOM 0 HG13 VAL A 49 -9.399 -19.111 -8.300 1.00 61.54 H new ATOM 0 HG21 VAL A 49 -9.586 -17.233 -5.859 1.00 71.23 H new ATOM 0 HG22 VAL A 49 -8.326 -17.099 -7.109 1.00 71.23 H new ATOM 0 HG23 VAL A 49 -9.351 -15.696 -6.725 1.00 71.23 H new ATOM 758 N ALA A 50 -12.081 -16.182 -10.379 1.00 33.20 N ATOM 759 CA ALA A 50 -13.163 -16.454 -11.317 1.00 61.14 C ATOM 760 C ALA A 50 -12.696 -16.279 -12.759 1.00 32.44 C ATOM 761 O ALA A 50 -12.867 -17.172 -13.590 1.00 11.54 O ATOM 762 CB ALA A 50 -14.350 -15.547 -11.032 1.00 13.45 C ATOM 0 H ALA A 50 -12.195 -15.323 -9.841 1.00 33.20 H new ATOM 0 HA ALA A 50 -13.472 -17.491 -11.185 1.00 61.14 H new ATOM 0 HB1 ALA A 50 -15.150 -15.762 -11.740 1.00 13.45 H new ATOM 0 HB2 ALA A 50 -14.707 -15.723 -10.017 1.00 13.45 H new ATOM 0 HB3 ALA A 50 -14.045 -14.506 -11.134 1.00 13.45 H new ATOM 768 N VAL A 51 -12.106 -15.124 -13.049 1.00 55.00 N ATOM 769 CA VAL A 51 -11.615 -14.833 -14.390 1.00 43.52 C ATOM 770 C VAL A 51 -10.380 -15.665 -14.716 1.00 5.14 C ATOM 771 O VAL A 51 -10.048 -15.874 -15.883 1.00 74.44 O ATOM 772 CB VAL A 51 -11.271 -13.340 -14.550 1.00 2.31 C ATOM 773 CG1 VAL A 51 -10.316 -12.891 -13.454 1.00 63.42 C ATOM 774 CG2 VAL A 51 -10.679 -13.074 -15.926 1.00 12.21 C ATOM 0 H VAL A 51 -11.957 -14.375 -12.373 1.00 55.00 H new ATOM 0 HA VAL A 51 -12.416 -15.090 -15.083 1.00 43.52 H new ATOM 0 HB VAL A 51 -12.190 -12.762 -14.457 1.00 2.31 H new ATOM 0 HG11 VAL A 51 -10.085 -11.834 -13.584 1.00 63.42 H new ATOM 0 HG12 VAL A 51 -10.782 -13.044 -12.480 1.00 63.42 H new ATOM 0 HG13 VAL A 51 -9.396 -13.473 -13.512 1.00 63.42 H new ATOM 0 HG21 VAL A 51 -10.442 -12.014 -16.021 1.00 12.21 H new ATOM 0 HG22 VAL A 51 -9.770 -13.662 -16.051 1.00 12.21 H new ATOM 0 HG23 VAL A 51 -11.401 -13.355 -16.693 1.00 12.21 H new ATOM 784 N LEU A 52 -9.701 -16.138 -13.676 1.00 12.00 N ATOM 785 CA LEU A 52 -8.501 -16.949 -13.850 1.00 74.24 C ATOM 786 C LEU A 52 -8.861 -18.419 -14.042 1.00 70.05 C ATOM 787 O LEU A 52 -8.188 -19.143 -14.777 1.00 54.32 O ATOM 788 CB LEU A 52 -7.576 -16.793 -12.642 1.00 40.55 C ATOM 789 CG LEU A 52 -6.970 -15.404 -12.437 1.00 42.21 C ATOM 790 CD1 LEU A 52 -6.282 -15.316 -11.083 1.00 71.55 C ATOM 791 CD2 LEU A 52 -5.992 -15.078 -13.556 1.00 44.03 C ATOM 0 H LEU A 52 -9.961 -15.974 -12.704 1.00 12.00 H new ATOM 0 HA LEU A 52 -7.983 -16.600 -14.744 1.00 74.24 H new ATOM 0 HB2 LEU A 52 -8.134 -17.060 -11.745 1.00 40.55 H new ATOM 0 HB3 LEU A 52 -6.762 -17.512 -12.737 1.00 40.55 H new ATOM 0 HG LEU A 52 -7.776 -14.670 -12.461 1.00 42.21 H new ATOM 0 HD11 LEU A 52 -5.857 -14.321 -10.955 1.00 71.55 H new ATOM 0 HD12 LEU A 52 -7.009 -15.505 -10.293 1.00 71.55 H new ATOM 0 HD13 LEU A 52 -5.487 -16.060 -11.030 1.00 71.55 H new ATOM 0 HD21 LEU A 52 -5.571 -14.086 -13.393 1.00 44.03 H new ATOM 0 HD22 LEU A 52 -5.190 -15.816 -13.565 1.00 44.03 H new ATOM 0 HD23 LEU A 52 -6.514 -15.098 -14.513 1.00 44.03 H new ATOM 803 N PHE A 53 -9.927 -18.854 -13.379 1.00 13.41 N ATOM 804 CA PHE A 53 -10.378 -20.237 -13.477 1.00 64.05 C ATOM 805 C PHE A 53 -11.774 -20.312 -14.089 1.00 65.32 C ATOM 806 O PHE A 53 -12.753 -20.652 -13.425 1.00 24.15 O ATOM 807 CB PHE A 53 -10.378 -20.895 -12.096 1.00 64.32 C ATOM 808 CG PHE A 53 -9.005 -21.048 -11.505 1.00 13.21 C ATOM 809 CD1 PHE A 53 -8.168 -22.072 -11.918 1.00 15.12 C ATOM 810 CD2 PHE A 53 -8.553 -20.167 -10.536 1.00 25.24 C ATOM 811 CE1 PHE A 53 -6.905 -22.215 -11.376 1.00 1.10 C ATOM 812 CE2 PHE A 53 -7.290 -20.305 -9.991 1.00 0.14 C ATOM 813 CZ PHE A 53 -6.466 -21.331 -10.410 1.00 43.33 C ATOM 0 H PHE A 53 -10.495 -18.268 -12.767 1.00 13.41 H new ATOM 0 HA PHE A 53 -9.686 -20.773 -14.127 1.00 64.05 H new ATOM 0 HB2 PHE A 53 -10.992 -20.301 -11.419 1.00 64.32 H new ATOM 0 HB3 PHE A 53 -10.844 -21.877 -12.170 1.00 64.32 H new ATOM 0 HD1 PHE A 53 -8.507 -22.767 -12.672 1.00 15.12 H new ATOM 0 HD2 PHE A 53 -9.194 -19.364 -10.203 1.00 25.24 H new ATOM 0 HE1 PHE A 53 -6.262 -23.017 -11.707 1.00 1.10 H new ATOM 0 HE2 PHE A 53 -6.948 -19.611 -9.238 1.00 0.14 H new ATOM 0 HZ PHE A 53 -5.480 -21.442 -9.983 1.00 43.33 H new ATOM 823 N PRO A 54 -11.869 -19.987 -15.387 1.00 65.30 N ATOM 824 CA PRO A 54 -13.139 -20.010 -16.118 1.00 11.02 C ATOM 825 C PRO A 54 -13.658 -21.427 -16.334 1.00 33.31 C ATOM 826 O PRO A 54 -14.804 -21.624 -16.737 1.00 51.13 O ATOM 827 CB PRO A 54 -12.789 -19.358 -17.458 1.00 71.50 C ATOM 828 CG PRO A 54 -11.328 -19.598 -17.626 1.00 34.41 C ATOM 829 CD PRO A 54 -10.743 -19.573 -16.241 1.00 62.01 C ATOM 0 HA PRO A 54 -13.932 -19.497 -15.573 1.00 11.02 H new ATOM 0 HB2 PRO A 54 -13.359 -19.801 -18.275 1.00 71.50 H new ATOM 0 HB3 PRO A 54 -13.017 -18.292 -17.451 1.00 71.50 H new ATOM 0 HG2 PRO A 54 -11.143 -20.557 -18.111 1.00 34.41 H new ATOM 0 HG3 PRO A 54 -10.876 -18.831 -18.255 1.00 34.41 H new ATOM 0 HD2 PRO A 54 -9.898 -20.255 -16.150 1.00 62.01 H new ATOM 0 HD3 PRO A 54 -10.381 -18.580 -15.975 1.00 62.01 H new ATOM 837 N ALA A 55 -12.808 -22.412 -16.063 1.00 2.14 N ATOM 838 CA ALA A 55 -13.182 -23.811 -16.225 1.00 72.21 C ATOM 839 C ALA A 55 -14.433 -24.142 -15.418 1.00 70.21 C ATOM 840 O ALA A 55 -15.164 -25.079 -15.743 1.00 54.52 O ATOM 841 CB ALA A 55 -12.031 -24.717 -15.813 1.00 40.21 C ATOM 0 H ALA A 55 -11.855 -22.266 -15.730 1.00 2.14 H new ATOM 0 HA ALA A 55 -13.405 -23.982 -17.278 1.00 72.21 H new ATOM 0 HB1 ALA A 55 -12.325 -25.759 -15.939 1.00 40.21 H new ATOM 0 HB2 ALA A 55 -11.162 -24.507 -16.436 1.00 40.21 H new ATOM 0 HB3 ALA A 55 -11.781 -24.535 -14.768 1.00 40.21 H new ATOM 847 N LEU A 56 -14.673 -23.369 -14.365 1.00 33.43 N ATOM 848 CA LEU A 56 -15.836 -23.581 -13.510 1.00 34.00 C ATOM 849 C LEU A 56 -16.702 -22.327 -13.449 1.00 15.13 C ATOM 850 O LEU A 56 -16.438 -21.344 -14.141 1.00 13.31 O ATOM 851 CB LEU A 56 -15.393 -23.978 -12.101 1.00 1.22 C ATOM 852 CG LEU A 56 -14.365 -23.061 -11.438 1.00 4.24 C ATOM 853 CD1 LEU A 56 -15.007 -22.263 -10.313 1.00 60.42 C ATOM 854 CD2 LEU A 56 -13.187 -23.870 -10.915 1.00 20.34 C ATOM 0 H LEU A 56 -14.078 -22.590 -14.083 1.00 33.43 H new ATOM 0 HA LEU A 56 -16.429 -24.389 -13.938 1.00 34.00 H new ATOM 0 HB2 LEU A 56 -16.276 -24.022 -11.463 1.00 1.22 H new ATOM 0 HB3 LEU A 56 -14.979 -24.985 -12.142 1.00 1.22 H new ATOM 0 HG LEU A 56 -13.996 -22.361 -12.187 1.00 4.24 H new ATOM 0 HD11 LEU A 56 -14.260 -21.616 -9.853 1.00 60.42 H new ATOM 0 HD12 LEU A 56 -15.816 -21.654 -10.715 1.00 60.42 H new ATOM 0 HD13 LEU A 56 -15.406 -22.947 -9.563 1.00 60.42 H new ATOM 0 HD21 LEU A 56 -12.465 -23.201 -10.446 1.00 20.34 H new ATOM 0 HD22 LEU A 56 -13.540 -24.594 -10.181 1.00 20.34 H new ATOM 0 HD23 LEU A 56 -12.710 -24.395 -11.743 1.00 20.34 H new ATOM 866 N ARG A 57 -17.736 -22.368 -12.614 1.00 71.12 N ATOM 867 CA ARG A 57 -18.640 -21.235 -12.462 1.00 14.34 C ATOM 868 C ARG A 57 -17.881 -19.989 -12.015 1.00 25.34 C ATOM 869 O ARG A 57 -16.794 -20.067 -11.441 1.00 62.53 O ATOM 870 CB ARG A 57 -19.740 -21.565 -11.450 1.00 42.24 C ATOM 871 CG ARG A 57 -20.845 -22.442 -12.016 1.00 44.15 C ATOM 872 CD ARG A 57 -21.729 -23.004 -10.915 1.00 30.33 C ATOM 873 NE ARG A 57 -22.613 -24.057 -11.407 1.00 32.44 N ATOM 874 CZ ARG A 57 -23.553 -24.634 -10.665 1.00 43.13 C ATOM 875 NH1 ARG A 57 -23.730 -24.261 -9.405 1.00 45.14 N ATOM 876 NH2 ARG A 57 -24.318 -25.585 -11.184 1.00 72.54 N ATOM 0 H ARG A 57 -17.968 -23.174 -12.033 1.00 71.12 H new ATOM 0 HA ARG A 57 -19.095 -21.034 -13.432 1.00 14.34 H new ATOM 0 HB2 ARG A 57 -19.294 -22.067 -10.591 1.00 42.24 H new ATOM 0 HB3 ARG A 57 -20.177 -20.635 -11.085 1.00 42.24 H new ATOM 0 HG2 ARG A 57 -21.452 -21.861 -12.711 1.00 44.15 H new ATOM 0 HG3 ARG A 57 -20.405 -23.261 -12.585 1.00 44.15 H new ATOM 0 HD2 ARG A 57 -21.104 -23.400 -10.115 1.00 30.33 H new ATOM 0 HD3 ARG A 57 -22.327 -22.201 -10.484 1.00 30.33 H new ATOM 0 HE ARG A 57 -22.503 -24.367 -12.373 1.00 32.44 H new ATOM 0 HH11 ARG A 57 -23.144 -23.529 -9.003 1.00 45.14 H new ATOM 0 HH12 ARG A 57 -24.452 -24.706 -8.838 1.00 45.14 H new ATOM 0 HH21 ARG A 57 -24.185 -25.874 -12.153 1.00 72.54 H new ATOM 0 HH22 ARG A 57 -25.039 -26.027 -10.614 1.00 72.54 H new ATOM 890 N PRO A 58 -18.464 -18.812 -12.283 1.00 11.32 N ATOM 891 CA PRO A 58 -17.860 -17.527 -11.917 1.00 23.21 C ATOM 892 C PRO A 58 -17.859 -17.295 -10.410 1.00 34.11 C ATOM 893 O PRO A 58 -16.837 -16.937 -9.827 1.00 63.03 O ATOM 894 CB PRO A 58 -18.756 -16.502 -12.616 1.00 1.32 C ATOM 895 CG PRO A 58 -20.071 -17.186 -12.764 1.00 21.14 C ATOM 896 CD PRO A 58 -19.759 -18.644 -12.963 1.00 51.53 C ATOM 0 HA PRO A 58 -16.813 -17.470 -12.213 1.00 23.21 H new ATOM 0 HB2 PRO A 58 -18.848 -15.590 -12.026 1.00 1.32 H new ATOM 0 HB3 PRO A 58 -18.348 -16.215 -13.585 1.00 1.32 H new ATOM 0 HG2 PRO A 58 -20.690 -17.037 -11.880 1.00 21.14 H new ATOM 0 HG3 PRO A 58 -20.626 -16.786 -13.613 1.00 21.14 H new ATOM 0 HD2 PRO A 58 -20.527 -19.282 -12.527 1.00 51.53 H new ATOM 0 HD3 PRO A 58 -19.694 -18.900 -14.020 1.00 51.53 H new ATOM 904 N GLY A 59 -19.014 -17.502 -9.783 1.00 41.14 N ATOM 905 CA GLY A 59 -19.124 -17.310 -8.349 1.00 73.41 C ATOM 906 C GLY A 59 -19.643 -18.544 -7.638 1.00 32.23 C ATOM 907 O GLY A 59 -20.152 -18.458 -6.521 1.00 5.33 O ATOM 0 H GLY A 59 -19.875 -17.799 -10.243 1.00 41.14 H new ATOM 0 HA2 GLY A 59 -18.147 -17.045 -7.945 1.00 73.41 H new ATOM 0 HA3 GLY A 59 -19.790 -16.471 -8.148 1.00 73.41 H new ATOM 911 N GLY A 60 -19.516 -19.698 -8.287 1.00 54.52 N ATOM 912 CA GLY A 60 -19.983 -20.938 -7.695 1.00 42.40 C ATOM 913 C GLY A 60 -18.843 -21.832 -7.250 1.00 30.14 C ATOM 914 O GLY A 60 -18.787 -23.007 -7.614 1.00 52.20 O ATOM 0 H GLY A 60 -19.098 -19.796 -9.212 1.00 54.52 H new ATOM 0 HA2 GLY A 60 -20.619 -20.712 -6.839 1.00 42.40 H new ATOM 0 HA3 GLY A 60 -20.599 -21.473 -8.418 1.00 42.40 H new ATOM 918 N PHE A 61 -17.930 -21.276 -6.460 1.00 52.21 N ATOM 919 CA PHE A 61 -16.784 -22.031 -5.966 1.00 52.55 C ATOM 920 C PHE A 61 -16.349 -21.524 -4.595 1.00 12.44 C ATOM 921 O PHE A 61 -16.624 -20.381 -4.228 1.00 74.44 O ATOM 922 CB PHE A 61 -15.618 -21.931 -6.952 1.00 74.55 C ATOM 923 CG PHE A 61 -14.942 -20.590 -6.949 1.00 34.23 C ATOM 924 CD1 PHE A 61 -15.474 -19.530 -7.664 1.00 51.43 C ATOM 925 CD2 PHE A 61 -13.775 -20.390 -6.230 1.00 22.21 C ATOM 926 CE1 PHE A 61 -14.855 -18.294 -7.663 1.00 2.13 C ATOM 927 CE2 PHE A 61 -13.151 -19.157 -6.224 1.00 54.32 C ATOM 928 CZ PHE A 61 -13.691 -18.108 -6.942 1.00 53.34 C ATOM 0 H PHE A 61 -17.961 -20.305 -6.148 1.00 52.21 H new ATOM 0 HA PHE A 61 -17.082 -23.075 -5.870 1.00 52.55 H new ATOM 0 HB2 PHE A 61 -14.883 -22.700 -6.712 1.00 74.55 H new ATOM 0 HB3 PHE A 61 -15.984 -22.142 -7.957 1.00 74.55 H new ATOM 0 HD1 PHE A 61 -16.383 -19.671 -8.229 1.00 51.43 H new ATOM 0 HD2 PHE A 61 -13.348 -21.207 -5.668 1.00 22.21 H new ATOM 0 HE1 PHE A 61 -15.280 -17.475 -8.225 1.00 2.13 H new ATOM 0 HE2 PHE A 61 -12.242 -19.014 -5.658 1.00 54.32 H new ATOM 0 HZ PHE A 61 -13.204 -17.144 -6.940 1.00 53.34 H new ATOM 938 N GLN A 62 -15.669 -22.382 -3.841 1.00 74.14 N ATOM 939 CA GLN A 62 -15.198 -22.022 -2.510 1.00 4.14 C ATOM 940 C GLN A 62 -13.690 -22.224 -2.393 1.00 14.01 C ATOM 941 O GLN A 62 -13.178 -23.313 -2.652 1.00 55.52 O ATOM 942 CB GLN A 62 -15.919 -22.853 -1.448 1.00 33.34 C ATOM 943 CG GLN A 62 -16.861 -22.040 -0.574 1.00 41.13 C ATOM 944 CD GLN A 62 -16.196 -20.811 0.014 1.00 21.32 C ATOM 945 OE1 GLN A 62 -16.767 -19.721 0.012 1.00 53.55 O ATOM 946 NE2 GLN A 62 -14.981 -20.982 0.523 1.00 14.25 N ATOM 0 H GLN A 62 -15.432 -23.331 -4.130 1.00 74.14 H new ATOM 0 HA GLN A 62 -15.419 -20.967 -2.347 1.00 4.14 H new ATOM 0 HB2 GLN A 62 -16.485 -23.644 -1.940 1.00 33.34 H new ATOM 0 HB3 GLN A 62 -15.178 -23.339 -0.814 1.00 33.34 H new ATOM 0 HG2 GLN A 62 -17.725 -21.734 -1.164 1.00 41.13 H new ATOM 0 HG3 GLN A 62 -17.234 -22.669 0.235 1.00 41.13 H new ATOM 0 HE21 GLN A 62 -14.545 -21.904 0.503 1.00 14.25 H new ATOM 0 HE22 GLN A 62 -14.484 -20.191 0.933 1.00 14.25 H new ATOM 955 N ALA A 63 -12.985 -21.168 -2.001 1.00 53.44 N ATOM 956 CA ALA A 63 -11.537 -21.230 -1.849 1.00 10.21 C ATOM 957 C ALA A 63 -11.150 -21.565 -0.412 1.00 52.25 C ATOM 958 O ALA A 63 -11.735 -21.041 0.537 1.00 63.53 O ATOM 959 CB ALA A 63 -10.905 -19.913 -2.275 1.00 25.05 C ATOM 0 H ALA A 63 -13.393 -20.259 -1.783 1.00 53.44 H new ATOM 0 HA ALA A 63 -11.162 -22.025 -2.493 1.00 10.21 H new ATOM 0 HB1 ALA A 63 -9.823 -19.973 -2.156 1.00 25.05 H new ATOM 0 HB2 ALA A 63 -11.145 -19.715 -3.320 1.00 25.05 H new ATOM 0 HB3 ALA A 63 -11.294 -19.105 -1.655 1.00 25.05 H new ATOM 965 N HIS A 64 -10.162 -22.441 -0.259 1.00 50.35 N ATOM 966 CA HIS A 64 -9.697 -22.846 1.062 1.00 12.45 C ATOM 967 C HIS A 64 -8.260 -22.389 1.296 1.00 32.54 C ATOM 968 O HIS A 64 -7.555 -22.020 0.357 1.00 11.01 O ATOM 969 CB HIS A 64 -9.794 -24.364 1.218 1.00 54.45 C ATOM 970 CG HIS A 64 -11.171 -24.903 0.980 1.00 13.03 C ATOM 971 ND1 HIS A 64 -11.769 -24.920 -0.262 1.00 53.31 N ATOM 972 CD2 HIS A 64 -12.068 -25.449 1.835 1.00 2.21 C ATOM 973 CE1 HIS A 64 -12.975 -25.451 -0.161 1.00 3.21 C ATOM 974 NE2 HIS A 64 -13.180 -25.781 1.101 1.00 11.35 N ATOM 0 H HIS A 64 -9.668 -22.884 -1.034 1.00 50.35 H new ATOM 0 HA HIS A 64 -10.336 -22.371 1.806 1.00 12.45 H new ATOM 0 HB2 HIS A 64 -9.102 -24.838 0.522 1.00 54.45 H new ATOM 0 HB3 HIS A 64 -9.474 -24.639 2.223 1.00 54.45 H new ATOM 0 HD2 HIS A 64 -11.934 -25.596 2.897 1.00 2.21 H new ATOM 0 HE1 HIS A 64 -13.674 -25.591 -0.972 1.00 3.21 H new ATOM 0 HE2 HIS A 64 -14.027 -26.213 1.471 1.00 11.35 H new ATOM 982 N TYR A 65 -7.833 -22.417 2.554 1.00 72.21 N ATOM 983 CA TYR A 65 -6.482 -22.004 2.911 1.00 4.54 C ATOM 984 C TYR A 65 -5.887 -22.935 3.964 1.00 53.41 C ATOM 985 O TYR A 65 -6.567 -23.336 4.908 1.00 33.52 O ATOM 986 CB TYR A 65 -6.487 -20.565 3.432 1.00 63.15 C ATOM 987 CG TYR A 65 -7.034 -20.430 4.835 1.00 71.45 C ATOM 988 CD1 TYR A 65 -6.206 -20.571 5.941 1.00 1.21 C ATOM 989 CD2 TYR A 65 -8.380 -20.162 5.053 1.00 3.43 C ATOM 990 CE1 TYR A 65 -6.702 -20.449 7.225 1.00 71.44 C ATOM 991 CE2 TYR A 65 -8.884 -20.037 6.333 1.00 14.03 C ATOM 992 CZ TYR A 65 -8.042 -20.182 7.416 1.00 63.24 C ATOM 993 OH TYR A 65 -8.540 -20.059 8.693 1.00 65.05 O ATOM 0 H TYR A 65 -8.403 -22.721 3.343 1.00 72.21 H new ATOM 0 HA TYR A 65 -5.865 -22.058 2.014 1.00 4.54 H new ATOM 0 HB2 TYR A 65 -5.469 -20.176 3.409 1.00 63.15 H new ATOM 0 HB3 TYR A 65 -7.080 -19.946 2.759 1.00 63.15 H new ATOM 0 HD1 TYR A 65 -5.156 -20.780 5.795 1.00 1.21 H new ATOM 0 HD2 TYR A 65 -9.043 -20.050 4.208 1.00 3.43 H new ATOM 0 HE1 TYR A 65 -6.044 -20.562 8.074 1.00 71.44 H new ATOM 0 HE2 TYR A 65 -9.932 -19.827 6.485 1.00 14.03 H new ATOM 0 HH TYR A 65 -9.501 -19.870 8.653 1.00 65.05 H new ATOM 1003 N ARG A 66 -4.613 -23.273 3.794 1.00 54.24 N ATOM 1004 CA ARG A 66 -3.926 -24.157 4.727 1.00 12.34 C ATOM 1005 C ARG A 66 -3.596 -23.426 6.025 1.00 13.44 C ATOM 1006 O ARG A 66 -2.805 -22.483 6.035 1.00 63.52 O ATOM 1007 CB ARG A 66 -2.644 -24.702 4.097 1.00 63.24 C ATOM 1008 CG ARG A 66 -2.875 -25.891 3.178 1.00 24.01 C ATOM 1009 CD ARG A 66 -3.216 -27.146 3.966 1.00 11.13 C ATOM 1010 NE ARG A 66 -3.777 -28.191 3.115 1.00 73.22 N ATOM 1011 CZ ARG A 66 -3.050 -28.935 2.288 1.00 15.13 C ATOM 1012 NH1 ARG A 66 -1.740 -28.749 2.203 1.00 74.43 N ATOM 1013 NH2 ARG A 66 -3.634 -29.867 1.546 1.00 41.15 N ATOM 0 H ARG A 66 -4.036 -22.948 3.018 1.00 54.24 H new ATOM 0 HA ARG A 66 -4.592 -24.989 4.957 1.00 12.34 H new ATOM 0 HB2 ARG A 66 -2.160 -23.906 3.532 1.00 63.24 H new ATOM 0 HB3 ARG A 66 -1.955 -24.995 4.890 1.00 63.24 H new ATOM 0 HG2 ARG A 66 -3.685 -25.664 2.484 1.00 24.01 H new ATOM 0 HG3 ARG A 66 -1.982 -26.068 2.579 1.00 24.01 H new ATOM 0 HD2 ARG A 66 -2.318 -27.521 4.456 1.00 11.13 H new ATOM 0 HD3 ARG A 66 -3.929 -26.898 4.753 1.00 11.13 H new ATOM 0 HE ARG A 66 -4.782 -28.359 3.157 1.00 73.22 H new ATOM 0 HH11 ARG A 66 -1.288 -28.034 2.773 1.00 74.43 H new ATOM 0 HH12 ARG A 66 -1.184 -29.321 1.568 1.00 74.43 H new ATOM 0 HH21 ARG A 66 -4.641 -30.013 1.610 1.00 41.15 H new ATOM 0 HH22 ARG A 66 -3.075 -30.438 0.911 1.00 41.15 H new ATOM 1027 N ALA A 67 -4.209 -23.866 7.119 1.00 34.41 N ATOM 1028 CA ALA A 67 -3.980 -23.255 8.422 1.00 22.34 C ATOM 1029 C ALA A 67 -2.801 -23.909 9.135 1.00 4.30 C ATOM 1030 O ALA A 67 -2.127 -24.773 8.575 1.00 74.11 O ATOM 1031 CB ALA A 67 -5.234 -23.350 9.278 1.00 74.00 C ATOM 0 H ALA A 67 -4.869 -24.644 7.128 1.00 34.41 H new ATOM 0 HA ALA A 67 -3.739 -22.204 8.265 1.00 22.34 H new ATOM 0 HB1 ALA A 67 -5.048 -22.890 10.248 1.00 74.00 H new ATOM 0 HB2 ALA A 67 -6.054 -22.831 8.781 1.00 74.00 H new ATOM 0 HB3 ALA A 67 -5.500 -24.398 9.419 1.00 74.00 H new ATOM 1037 N GLU A 68 -2.557 -23.489 10.373 1.00 45.04 N ATOM 1038 CA GLU A 68 -1.457 -24.033 11.160 1.00 23.51 C ATOM 1039 C GLU A 68 -1.641 -25.531 11.390 1.00 13.31 C ATOM 1040 O GLU A 68 -0.672 -26.263 11.588 1.00 62.21 O ATOM 1041 CB GLU A 68 -1.355 -23.309 12.504 1.00 44.32 C ATOM 1042 CG GLU A 68 -2.632 -23.365 13.325 1.00 70.54 C ATOM 1043 CD GLU A 68 -2.594 -22.443 14.527 1.00 13.42 C ATOM 1044 OE1 GLU A 68 -1.501 -22.259 15.101 1.00 24.30 O ATOM 1045 OE2 GLU A 68 -3.659 -21.903 14.894 1.00 34.30 O ATOM 0 H GLU A 68 -3.106 -22.775 10.852 1.00 45.04 H new ATOM 0 HA GLU A 68 -0.534 -23.879 10.601 1.00 23.51 H new ATOM 0 HB2 GLU A 68 -0.542 -23.748 13.082 1.00 44.32 H new ATOM 0 HB3 GLU A 68 -1.093 -22.266 12.326 1.00 44.32 H new ATOM 0 HG2 GLU A 68 -3.478 -23.096 12.692 1.00 70.54 H new ATOM 0 HG3 GLU A 68 -2.798 -24.388 13.662 1.00 70.54 H new ATOM 1052 N ARG A 69 -2.893 -25.978 11.363 1.00 4.42 N ATOM 1053 CA ARG A 69 -3.205 -27.386 11.570 1.00 34.44 C ATOM 1054 C ARG A 69 -2.909 -28.200 10.314 1.00 41.32 C ATOM 1055 O ARG A 69 -2.656 -29.401 10.385 1.00 22.51 O ATOM 1056 CB ARG A 69 -4.675 -27.552 11.963 1.00 25.33 C ATOM 1057 CG ARG A 69 -4.926 -27.408 13.455 1.00 21.14 C ATOM 1058 CD ARG A 69 -5.241 -28.749 14.099 1.00 32.23 C ATOM 1059 NE ARG A 69 -4.213 -29.153 15.054 1.00 22.13 N ATOM 1060 CZ ARG A 69 -3.076 -29.743 14.704 1.00 65.32 C ATOM 1061 NH1 ARG A 69 -2.822 -29.997 13.427 1.00 13.42 N ATOM 1062 NH2 ARG A 69 -2.189 -30.081 15.631 1.00 4.01 N ATOM 0 H ARG A 69 -3.707 -25.385 11.200 1.00 4.42 H new ATOM 0 HA ARG A 69 -2.575 -27.756 12.379 1.00 34.44 H new ATOM 0 HB2 ARG A 69 -5.271 -26.811 11.430 1.00 25.33 H new ATOM 0 HB3 ARG A 69 -5.021 -28.533 11.638 1.00 25.33 H new ATOM 0 HG2 ARG A 69 -4.049 -26.971 13.932 1.00 21.14 H new ATOM 0 HG3 ARG A 69 -5.755 -26.720 13.621 1.00 21.14 H new ATOM 0 HD2 ARG A 69 -6.204 -28.690 14.606 1.00 32.23 H new ATOM 0 HD3 ARG A 69 -5.335 -29.510 13.324 1.00 32.23 H new ATOM 0 HE ARG A 69 -4.377 -28.972 16.044 1.00 22.13 H new ATOM 0 HH11 ARG A 69 -3.501 -29.739 12.711 1.00 13.42 H new ATOM 0 HH12 ARG A 69 -1.948 -30.450 13.161 1.00 13.42 H new ATOM 0 HH21 ARG A 69 -2.380 -29.888 16.614 1.00 4.01 H new ATOM 0 HH22 ARG A 69 -1.316 -30.534 15.361 1.00 4.01 H new ATOM 1076 N GLY A 70 -2.943 -27.535 9.163 1.00 41.32 N ATOM 1077 CA GLY A 70 -2.677 -28.212 7.907 1.00 42.40 C ATOM 1078 C GLY A 70 -3.932 -28.788 7.282 1.00 64.02 C ATOM 1079 O GLY A 70 -3.902 -29.874 6.703 1.00 71.13 O ATOM 0 H GLY A 70 -3.150 -26.540 9.078 1.00 41.32 H new ATOM 0 HA2 GLY A 70 -2.217 -27.511 7.210 1.00 42.40 H new ATOM 0 HA3 GLY A 70 -1.958 -29.014 8.075 1.00 42.40 H new ATOM 1083 N ASP A 71 -5.037 -28.061 7.400 1.00 51.01 N ATOM 1084 CA ASP A 71 -6.309 -28.507 6.842 1.00 4.31 C ATOM 1085 C ASP A 71 -6.850 -27.489 5.843 1.00 35.03 C ATOM 1086 O ASP A 71 -6.234 -26.450 5.604 1.00 54.44 O ATOM 1087 CB ASP A 71 -7.328 -28.736 7.959 1.00 3.34 C ATOM 1088 CG ASP A 71 -7.118 -30.057 8.673 1.00 43.13 C ATOM 1089 OD1 ASP A 71 -6.022 -30.639 8.533 1.00 24.32 O ATOM 1090 OD2 ASP A 71 -8.049 -30.508 9.371 1.00 32.12 O ATOM 0 H ASP A 71 -5.078 -27.160 7.877 1.00 51.01 H new ATOM 0 HA ASP A 71 -6.139 -29.448 6.319 1.00 4.31 H new ATOM 0 HB2 ASP A 71 -7.261 -27.922 8.681 1.00 3.34 H new ATOM 0 HB3 ASP A 71 -8.334 -28.709 7.540 1.00 3.34 H new ATOM 1095 N LEU A 72 -8.005 -27.795 5.263 1.00 54.15 N ATOM 1096 CA LEU A 72 -8.630 -26.907 4.288 1.00 35.30 C ATOM 1097 C LEU A 72 -9.823 -26.179 4.901 1.00 64.23 C ATOM 1098 O LEU A 72 -10.822 -26.799 5.265 1.00 62.20 O ATOM 1099 CB LEU A 72 -9.079 -27.701 3.060 1.00 34.30 C ATOM 1100 CG LEU A 72 -7.964 -28.321 2.217 1.00 34.42 C ATOM 1101 CD1 LEU A 72 -8.544 -29.022 0.998 1.00 24.31 C ATOM 1102 CD2 LEU A 72 -6.960 -27.259 1.797 1.00 41.44 C ATOM 0 H LEU A 72 -8.528 -28.651 5.450 1.00 54.15 H new ATOM 0 HA LEU A 72 -7.892 -26.165 3.983 1.00 35.30 H new ATOM 0 HB2 LEU A 72 -9.743 -28.499 3.391 1.00 34.30 H new ATOM 0 HB3 LEU A 72 -9.667 -27.042 2.421 1.00 34.30 H new ATOM 0 HG LEU A 72 -7.445 -29.063 2.824 1.00 34.42 H new ATOM 0 HD11 LEU A 72 -7.736 -29.457 0.410 1.00 24.31 H new ATOM 0 HD12 LEU A 72 -9.223 -29.811 1.321 1.00 24.31 H new ATOM 0 HD13 LEU A 72 -9.089 -28.301 0.389 1.00 24.31 H new ATOM 0 HD21 LEU A 72 -6.174 -27.718 1.198 1.00 41.44 H new ATOM 0 HD22 LEU A 72 -7.465 -26.494 1.208 1.00 41.44 H new ATOM 0 HD23 LEU A 72 -6.521 -26.803 2.684 1.00 41.44 H new ATOM 1114 N VAL A 73 -9.711 -24.859 5.009 1.00 30.15 N ATOM 1115 CA VAL A 73 -10.781 -24.045 5.575 1.00 62.53 C ATOM 1116 C VAL A 73 -11.367 -23.104 4.528 1.00 21.42 C ATOM 1117 O VAL A 73 -10.746 -22.109 4.157 1.00 70.15 O ATOM 1118 CB VAL A 73 -10.282 -23.216 6.773 1.00 60.30 C ATOM 1119 CG1 VAL A 73 -11.405 -22.355 7.331 1.00 22.31 C ATOM 1120 CG2 VAL A 73 -9.712 -24.127 7.850 1.00 45.22 C ATOM 0 H VAL A 73 -8.891 -24.330 4.712 1.00 30.15 H new ATOM 0 HA VAL A 73 -11.555 -24.732 5.916 1.00 62.53 H new ATOM 0 HB VAL A 73 -9.486 -22.555 6.430 1.00 60.30 H new ATOM 0 HG11 VAL A 73 -11.034 -21.776 8.177 1.00 22.31 H new ATOM 0 HG12 VAL A 73 -11.763 -21.677 6.556 1.00 22.31 H new ATOM 0 HG13 VAL A 73 -12.224 -22.994 7.660 1.00 22.31 H new ATOM 0 HG21 VAL A 73 -9.364 -23.525 8.689 1.00 45.22 H new ATOM 0 HG22 VAL A 73 -10.486 -24.814 8.193 1.00 45.22 H new ATOM 0 HG23 VAL A 73 -8.877 -24.696 7.441 1.00 45.22 H new ATOM 1130 N ALA A 74 -12.567 -23.426 4.057 1.00 32.30 N ATOM 1131 CA ALA A 74 -13.239 -22.608 3.055 1.00 30.20 C ATOM 1132 C ALA A 74 -13.472 -21.192 3.569 1.00 14.33 C ATOM 1133 O ALA A 74 -14.353 -20.958 4.397 1.00 75.30 O ATOM 1134 CB ALA A 74 -14.558 -23.248 2.649 1.00 32.41 C ATOM 0 H ALA A 74 -13.094 -24.248 4.353 1.00 32.30 H new ATOM 0 HA ALA A 74 -12.593 -22.547 2.179 1.00 30.20 H new ATOM 0 HB1 ALA A 74 -15.049 -22.626 1.900 1.00 32.41 H new ATOM 0 HB2 ALA A 74 -14.369 -24.237 2.232 1.00 32.41 H new ATOM 0 HB3 ALA A 74 -15.202 -23.340 3.523 1.00 32.41 H new ATOM 1140 N PHE A 75 -12.677 -20.249 3.074 1.00 31.04 N ATOM 1141 CA PHE A 75 -12.796 -18.855 3.486 1.00 73.05 C ATOM 1142 C PHE A 75 -13.689 -18.078 2.523 1.00 75.45 C ATOM 1143 O PHE A 75 -13.819 -18.438 1.352 1.00 2.43 O ATOM 1144 CB PHE A 75 -11.414 -18.202 3.556 1.00 33.11 C ATOM 1145 CG PHE A 75 -10.733 -18.094 2.222 1.00 74.23 C ATOM 1146 CD1 PHE A 75 -9.932 -19.122 1.753 1.00 64.31 C ATOM 1147 CD2 PHE A 75 -10.895 -16.964 1.436 1.00 21.22 C ATOM 1148 CE1 PHE A 75 -9.304 -19.026 0.525 1.00 21.42 C ATOM 1149 CE2 PHE A 75 -10.270 -16.863 0.208 1.00 51.24 C ATOM 1150 CZ PHE A 75 -9.473 -17.895 -0.248 1.00 3.50 C ATOM 0 H PHE A 75 -11.944 -20.425 2.387 1.00 31.04 H new ATOM 0 HA PHE A 75 -13.252 -18.832 4.476 1.00 73.05 H new ATOM 0 HB2 PHE A 75 -11.513 -17.205 3.986 1.00 33.11 H new ATOM 0 HB3 PHE A 75 -10.782 -18.779 4.232 1.00 33.11 H new ATOM 0 HD1 PHE A 75 -9.796 -20.009 2.354 1.00 64.31 H new ATOM 0 HD2 PHE A 75 -11.517 -16.154 1.787 1.00 21.22 H new ATOM 0 HE1 PHE A 75 -8.682 -19.835 0.171 1.00 21.42 H new ATOM 0 HE2 PHE A 75 -10.405 -15.977 -0.395 1.00 51.24 H new ATOM 0 HZ PHE A 75 -8.983 -17.817 -1.207 1.00 3.50 H new ATOM 1160 N SER A 76 -14.304 -17.012 3.024 1.00 32.14 N ATOM 1161 CA SER A 76 -15.189 -16.186 2.211 1.00 71.51 C ATOM 1162 C SER A 76 -15.535 -14.887 2.932 1.00 21.20 C ATOM 1163 O SER A 76 -16.649 -14.377 2.815 1.00 41.10 O ATOM 1164 CB SER A 76 -16.470 -16.953 1.874 1.00 2.34 C ATOM 1165 OG SER A 76 -17.009 -17.576 3.027 1.00 22.31 O ATOM 0 H SER A 76 -14.206 -16.700 3.990 1.00 32.14 H new ATOM 0 HA SER A 76 -14.667 -15.939 1.286 1.00 71.51 H new ATOM 0 HB2 SER A 76 -17.205 -16.270 1.448 1.00 2.34 H new ATOM 0 HB3 SER A 76 -16.258 -17.706 1.115 1.00 2.34 H new ATOM 0 HG SER A 76 -17.828 -18.058 2.786 1.00 22.31 H new ATOM 1171 N SER A 77 -14.571 -14.357 3.678 1.00 21.32 N ATOM 1172 CA SER A 77 -14.773 -13.120 4.422 1.00 12.52 C ATOM 1173 C SER A 77 -13.445 -12.410 4.668 1.00 70.04 C ATOM 1174 O SER A 77 -12.400 -13.050 4.788 1.00 10.44 O ATOM 1175 CB SER A 77 -15.464 -13.409 5.756 1.00 12.42 C ATOM 1176 OG SER A 77 -16.874 -13.384 5.616 1.00 31.30 O ATOM 0 H SER A 77 -13.642 -14.765 3.783 1.00 21.32 H new ATOM 0 HA SER A 77 -15.409 -12.467 3.825 1.00 12.52 H new ATOM 0 HB2 SER A 77 -15.150 -14.384 6.128 1.00 12.42 H new ATOM 0 HB3 SER A 77 -15.156 -12.671 6.496 1.00 12.42 H new ATOM 0 HG SER A 77 -17.119 -13.685 4.716 1.00 31.30 H new ATOM 1182 N ASP A 78 -13.494 -11.085 4.740 1.00 14.51 N ATOM 1183 CA ASP A 78 -12.296 -10.286 4.972 1.00 31.42 C ATOM 1184 C ASP A 78 -11.589 -10.726 6.251 1.00 74.25 C ATOM 1185 O ASP A 78 -10.364 -10.833 6.288 1.00 71.13 O ATOM 1186 CB ASP A 78 -12.655 -8.802 5.058 1.00 61.01 C ATOM 1187 CG ASP A 78 -13.656 -8.386 3.998 1.00 33.33 C ATOM 1188 OD1 ASP A 78 -13.669 -9.010 2.917 1.00 64.41 O ATOM 1189 OD2 ASP A 78 -14.427 -7.436 4.250 1.00 32.30 O ATOM 0 H ASP A 78 -14.351 -10.541 4.641 1.00 14.51 H new ATOM 0 HA ASP A 78 -11.619 -10.439 4.132 1.00 31.42 H new ATOM 0 HB2 ASP A 78 -13.065 -8.587 6.045 1.00 61.01 H new ATOM 0 HB3 ASP A 78 -11.749 -8.205 4.952 1.00 61.01 H new ATOM 1194 N GLU A 79 -12.371 -10.979 7.296 1.00 42.40 N ATOM 1195 CA GLU A 79 -11.818 -11.405 8.576 1.00 14.24 C ATOM 1196 C GLU A 79 -11.012 -12.691 8.420 1.00 1.21 C ATOM 1197 O GLU A 79 -10.112 -12.971 9.211 1.00 11.33 O ATOM 1198 CB GLU A 79 -12.940 -11.614 9.597 1.00 44.25 C ATOM 1199 CG GLU A 79 -13.835 -12.801 9.282 1.00 1.53 C ATOM 1200 CD GLU A 79 -14.861 -13.061 10.368 1.00 24.23 C ATOM 1201 OE1 GLU A 79 -15.731 -12.191 10.583 1.00 64.21 O ATOM 1202 OE2 GLU A 79 -14.793 -14.134 11.003 1.00 34.14 O ATOM 0 H GLU A 79 -13.388 -10.896 7.281 1.00 42.40 H new ATOM 0 HA GLU A 79 -11.151 -10.620 8.934 1.00 14.24 H new ATOM 0 HB2 GLU A 79 -12.500 -11.753 10.585 1.00 44.25 H new ATOM 0 HB3 GLU A 79 -13.550 -10.712 9.644 1.00 44.25 H new ATOM 0 HG2 GLU A 79 -14.348 -12.624 8.337 1.00 1.53 H new ATOM 0 HG3 GLU A 79 -13.219 -13.690 9.148 1.00 1.53 H new ATOM 1209 N GLU A 80 -11.343 -13.469 7.394 1.00 4.20 N ATOM 1210 CA GLU A 80 -10.650 -14.726 7.135 1.00 51.41 C ATOM 1211 C GLU A 80 -9.324 -14.479 6.422 1.00 43.03 C ATOM 1212 O GLU A 80 -8.339 -15.180 6.658 1.00 61.10 O ATOM 1213 CB GLU A 80 -11.529 -15.654 6.294 1.00 0.11 C ATOM 1214 CG GLU A 80 -12.144 -16.794 7.088 1.00 23.30 C ATOM 1215 CD GLU A 80 -13.462 -17.267 6.505 1.00 5.24 C ATOM 1216 OE1 GLU A 80 -14.167 -16.441 5.889 1.00 11.21 O ATOM 1217 OE2 GLU A 80 -13.787 -18.461 6.666 1.00 74.42 O ATOM 0 H GLU A 80 -12.086 -13.251 6.729 1.00 4.20 H new ATOM 0 HA GLU A 80 -10.444 -15.202 8.093 1.00 51.41 H new ATOM 0 HB2 GLU A 80 -12.327 -15.069 5.837 1.00 0.11 H new ATOM 0 HB3 GLU A 80 -10.932 -16.069 5.482 1.00 0.11 H new ATOM 0 HG2 GLU A 80 -11.444 -17.629 7.119 1.00 23.30 H new ATOM 0 HG3 GLU A 80 -12.301 -16.472 8.117 1.00 23.30 H new ATOM 1224 N LEU A 81 -9.306 -13.479 5.548 1.00 40.32 N ATOM 1225 CA LEU A 81 -8.101 -13.139 4.799 1.00 53.54 C ATOM 1226 C LEU A 81 -7.031 -12.564 5.721 1.00 65.42 C ATOM 1227 O LEU A 81 -5.887 -13.022 5.724 1.00 50.35 O ATOM 1228 CB LEU A 81 -8.431 -12.134 3.693 1.00 0.34 C ATOM 1229 CG LEU A 81 -9.004 -12.720 2.403 1.00 55.33 C ATOM 1230 CD1 LEU A 81 -8.060 -13.762 1.824 1.00 34.22 C ATOM 1231 CD2 LEU A 81 -10.378 -13.323 2.655 1.00 33.34 C ATOM 0 H LEU A 81 -10.112 -12.889 5.340 1.00 40.32 H new ATOM 0 HA LEU A 81 -7.713 -14.052 4.348 1.00 53.54 H new ATOM 0 HB2 LEU A 81 -9.144 -11.411 4.088 1.00 0.34 H new ATOM 0 HB3 LEU A 81 -7.523 -11.584 3.447 1.00 0.34 H new ATOM 0 HG LEU A 81 -9.111 -11.914 1.677 1.00 55.33 H new ATOM 0 HD11 LEU A 81 -8.485 -14.168 0.906 1.00 34.22 H new ATOM 0 HD12 LEU A 81 -7.098 -13.299 1.605 1.00 34.22 H new ATOM 0 HD13 LEU A 81 -7.920 -14.567 2.546 1.00 34.22 H new ATOM 0 HD21 LEU A 81 -10.770 -13.735 1.725 1.00 33.34 H new ATOM 0 HD22 LEU A 81 -10.296 -14.116 3.398 1.00 33.34 H new ATOM 0 HD23 LEU A 81 -11.053 -12.550 3.022 1.00 33.34 H new ATOM 1243 N THR A 82 -7.409 -11.560 6.505 1.00 1.04 N ATOM 1244 CA THR A 82 -6.482 -10.924 7.433 1.00 12.20 C ATOM 1245 C THR A 82 -5.825 -11.953 8.345 1.00 5.34 C ATOM 1246 O THR A 82 -4.696 -11.763 8.798 1.00 31.12 O ATOM 1247 CB THR A 82 -7.192 -9.866 8.299 1.00 42.31 C ATOM 1248 OG1 THR A 82 -6.224 -9.013 8.921 1.00 53.43 O ATOM 1249 CG2 THR A 82 -8.052 -10.527 9.365 1.00 22.31 C ATOM 0 H THR A 82 -8.351 -11.169 6.516 1.00 1.04 H new ATOM 0 HA THR A 82 -5.716 -10.435 6.830 1.00 12.20 H new ATOM 0 HB THR A 82 -7.837 -9.272 7.652 1.00 42.31 H new ATOM 0 HG1 THR A 82 -6.683 -8.342 9.469 1.00 53.43 H new ATOM 0 HG21 THR A 82 -8.543 -9.760 9.964 1.00 22.31 H new ATOM 0 HG22 THR A 82 -8.806 -11.153 8.888 1.00 22.31 H new ATOM 0 HG23 THR A 82 -7.424 -11.143 10.009 1.00 22.31 H new ATOM 1257 N MET A 83 -6.537 -13.043 8.611 1.00 52.31 N ATOM 1258 CA MET A 83 -6.020 -14.103 9.468 1.00 15.05 C ATOM 1259 C MET A 83 -5.121 -15.050 8.680 1.00 2.34 C ATOM 1260 O MET A 83 -4.054 -15.444 9.152 1.00 55.53 O ATOM 1261 CB MET A 83 -7.174 -14.885 10.100 1.00 1.44 C ATOM 1262 CG MET A 83 -6.877 -15.374 11.509 1.00 40.43 C ATOM 1263 SD MET A 83 -7.999 -16.681 12.041 1.00 1.10 S ATOM 1264 CE MET A 83 -9.450 -15.725 12.476 1.00 30.30 C ATOM 0 H MET A 83 -7.474 -13.215 8.245 1.00 52.31 H new ATOM 0 HA MET A 83 -5.427 -13.641 10.258 1.00 15.05 H new ATOM 0 HB2 MET A 83 -8.061 -14.252 10.123 1.00 1.44 H new ATOM 0 HB3 MET A 83 -7.410 -15.742 9.469 1.00 1.44 H new ATOM 0 HG2 MET A 83 -5.851 -15.740 11.554 1.00 40.43 H new ATOM 0 HG3 MET A 83 -6.947 -14.536 12.203 1.00 40.43 H new ATOM 0 HE1 MET A 83 -10.236 -16.395 12.825 1.00 30.30 H new ATOM 0 HE2 MET A 83 -9.197 -15.019 13.267 1.00 30.30 H new ATOM 0 HE3 MET A 83 -9.801 -15.178 11.601 1.00 30.30 H new ATOM 1274 N ALA A 84 -5.558 -15.411 7.479 1.00 71.24 N ATOM 1275 CA ALA A 84 -4.791 -16.310 6.625 1.00 32.22 C ATOM 1276 C ALA A 84 -3.360 -15.813 6.450 1.00 54.04 C ATOM 1277 O ALA A 84 -2.409 -16.588 6.538 1.00 22.33 O ATOM 1278 CB ALA A 84 -5.470 -16.460 5.272 1.00 41.13 C ATOM 0 H ALA A 84 -6.439 -15.095 7.075 1.00 71.24 H new ATOM 0 HA ALA A 84 -4.752 -17.286 7.109 1.00 32.22 H new ATOM 0 HB1 ALA A 84 -4.886 -17.134 4.645 1.00 41.13 H new ATOM 0 HB2 ALA A 84 -6.471 -16.869 5.411 1.00 41.13 H new ATOM 0 HB3 ALA A 84 -5.540 -15.485 4.790 1.00 41.13 H new ATOM 1284 N MET A 85 -3.216 -14.516 6.199 1.00 12.34 N ATOM 1285 CA MET A 85 -1.900 -13.916 6.012 1.00 53.32 C ATOM 1286 C MET A 85 -1.092 -13.962 7.305 1.00 72.54 C ATOM 1287 O MET A 85 0.138 -13.915 7.281 1.00 74.01 O ATOM 1288 CB MET A 85 -2.039 -12.468 5.536 1.00 74.54 C ATOM 1289 CG MET A 85 -2.885 -12.320 4.281 1.00 21.01 C ATOM 1290 SD MET A 85 -2.150 -13.131 2.848 1.00 1.11 S ATOM 1291 CE MET A 85 -2.279 -11.832 1.621 1.00 20.42 C ATOM 0 H MET A 85 -3.994 -13.861 6.120 1.00 12.34 H new ATOM 0 HA MET A 85 -1.371 -14.492 5.253 1.00 53.32 H new ATOM 0 HB2 MET A 85 -2.481 -11.872 6.335 1.00 74.54 H new ATOM 0 HB3 MET A 85 -1.046 -12.060 5.346 1.00 74.54 H new ATOM 0 HG2 MET A 85 -3.874 -12.739 4.463 1.00 21.01 H new ATOM 0 HG3 MET A 85 -3.023 -11.261 4.063 1.00 21.01 H new ATOM 0 HE1 MET A 85 -1.864 -12.182 0.676 1.00 20.42 H new ATOM 0 HE2 MET A 85 -3.327 -11.566 1.481 1.00 20.42 H new ATOM 0 HE3 MET A 85 -1.724 -10.956 1.958 1.00 20.42 H new ATOM 1301 N SER A 86 -1.791 -14.055 8.431 1.00 32.53 N ATOM 1302 CA SER A 86 -1.138 -14.104 9.734 1.00 33.42 C ATOM 1303 C SER A 86 -0.326 -15.387 9.887 1.00 51.10 C ATOM 1304 O SER A 86 0.639 -15.437 10.650 1.00 14.24 O ATOM 1305 CB SER A 86 -2.177 -14.009 10.853 1.00 74.10 C ATOM 1306 OG SER A 86 -1.582 -13.587 12.068 1.00 61.04 O ATOM 0 H SER A 86 -2.809 -14.098 8.468 1.00 32.53 H new ATOM 0 HA SER A 86 -0.459 -13.254 9.805 1.00 33.42 H new ATOM 0 HB2 SER A 86 -2.962 -13.309 10.566 1.00 74.10 H new ATOM 0 HB3 SER A 86 -2.652 -14.979 10.995 1.00 74.10 H new ATOM 0 HG SER A 86 -2.267 -13.533 12.766 1.00 61.04 H new ATOM 1312 N TYR A 87 -0.724 -16.422 9.156 1.00 42.14 N ATOM 1313 CA TYR A 87 -0.035 -17.706 9.211 1.00 75.15 C ATOM 1314 C TYR A 87 1.270 -17.659 8.422 1.00 54.11 C ATOM 1315 O TYR A 87 2.334 -17.998 8.939 1.00 20.31 O ATOM 1316 CB TYR A 87 -0.936 -18.815 8.663 1.00 44.24 C ATOM 1317 CG TYR A 87 -2.200 -19.021 9.466 1.00 25.35 C ATOM 1318 CD1 TYR A 87 -3.332 -18.253 9.226 1.00 73.31 C ATOM 1319 CD2 TYR A 87 -2.261 -19.983 10.467 1.00 62.41 C ATOM 1320 CE1 TYR A 87 -4.489 -18.438 9.958 1.00 11.22 C ATOM 1321 CE2 TYR A 87 -3.414 -20.176 11.203 1.00 2.21 C ATOM 1322 CZ TYR A 87 -4.525 -19.401 10.945 1.00 10.52 C ATOM 1323 OH TYR A 87 -5.675 -19.588 11.677 1.00 20.24 O ATOM 0 H TYR A 87 -1.520 -16.397 8.519 1.00 42.14 H new ATOM 0 HA TYR A 87 0.200 -17.919 10.254 1.00 75.15 H new ATOM 0 HB2 TYR A 87 -1.204 -18.578 7.633 1.00 44.24 H new ATOM 0 HB3 TYR A 87 -0.375 -19.749 8.639 1.00 44.24 H new ATOM 0 HD1 TYR A 87 -3.307 -17.498 8.454 1.00 73.31 H new ATOM 0 HD2 TYR A 87 -1.392 -20.590 10.673 1.00 62.41 H new ATOM 0 HE1 TYR A 87 -5.360 -17.832 9.759 1.00 11.22 H new ATOM 0 HE2 TYR A 87 -3.445 -20.930 11.976 1.00 2.21 H new ATOM 0 HH TYR A 87 -6.190 -18.755 11.695 1.00 20.24 H new ATOM 1333 N VAL A 88 1.179 -17.235 7.165 1.00 1.44 N ATOM 1334 CA VAL A 88 2.352 -17.140 6.304 1.00 73.41 C ATOM 1335 C VAL A 88 3.251 -15.984 6.725 1.00 44.11 C ATOM 1336 O VAL A 88 2.778 -14.879 6.990 1.00 10.32 O ATOM 1337 CB VAL A 88 1.951 -16.954 4.829 1.00 53.34 C ATOM 1338 CG1 VAL A 88 1.117 -15.693 4.657 1.00 31.11 C ATOM 1339 CG2 VAL A 88 3.186 -16.910 3.942 1.00 24.15 C ATOM 0 H VAL A 88 0.306 -16.952 6.721 1.00 1.44 H new ATOM 0 HA VAL A 88 2.899 -18.077 6.409 1.00 73.41 H new ATOM 0 HB VAL A 88 1.344 -17.807 4.526 1.00 53.34 H new ATOM 0 HG11 VAL A 88 0.843 -15.578 3.608 1.00 31.11 H new ATOM 0 HG12 VAL A 88 0.213 -15.769 5.262 1.00 31.11 H new ATOM 0 HG13 VAL A 88 1.696 -14.827 4.977 1.00 31.11 H new ATOM 0 HG21 VAL A 88 2.883 -16.778 2.903 1.00 24.15 H new ATOM 0 HG22 VAL A 88 3.821 -16.077 4.244 1.00 24.15 H new ATOM 0 HG23 VAL A 88 3.740 -17.843 4.043 1.00 24.15 H new ATOM 1349 N LYS A 89 4.553 -16.245 6.784 1.00 72.21 N ATOM 1350 CA LYS A 89 5.521 -15.226 7.171 1.00 65.41 C ATOM 1351 C LYS A 89 6.131 -14.561 5.941 1.00 4.34 C ATOM 1352 O LYS A 89 6.589 -13.420 6.005 1.00 41.43 O ATOM 1353 CB LYS A 89 6.627 -15.844 8.030 1.00 33.43 C ATOM 1354 CG LYS A 89 7.266 -17.074 7.408 1.00 51.54 C ATOM 1355 CD LYS A 89 8.764 -17.111 7.660 1.00 71.24 C ATOM 1356 CE LYS A 89 9.176 -18.385 8.382 1.00 53.04 C ATOM 1357 NZ LYS A 89 10.655 -18.494 8.514 1.00 60.02 N ATOM 0 H LYS A 89 4.962 -17.154 6.568 1.00 72.21 H new ATOM 0 HA LYS A 89 4.999 -14.466 7.753 1.00 65.41 H new ATOM 0 HB2 LYS A 89 7.399 -15.095 8.208 1.00 33.43 H new ATOM 0 HB3 LYS A 89 6.213 -16.112 9.002 1.00 33.43 H new ATOM 0 HG2 LYS A 89 6.805 -17.972 7.819 1.00 51.54 H new ATOM 0 HG3 LYS A 89 7.076 -17.081 6.335 1.00 51.54 H new ATOM 0 HD2 LYS A 89 9.296 -17.041 6.711 1.00 71.24 H new ATOM 0 HD3 LYS A 89 9.056 -16.245 8.253 1.00 71.24 H new ATOM 0 HE2 LYS A 89 8.721 -18.405 9.372 1.00 53.04 H new ATOM 0 HE3 LYS A 89 8.795 -19.250 7.839 1.00 53.04 H new ATOM 0 HZ1 LYS A 89 10.895 -19.375 9.011 1.00 60.02 H new ATOM 0 HZ2 LYS A 89 11.088 -18.501 7.569 1.00 60.02 H new ATOM 0 HZ3 LYS A 89 11.016 -17.682 9.054 1.00 60.02 H new ATOM 1371 N ASP A 90 6.133 -15.280 4.825 1.00 50.14 N ATOM 1372 CA ASP A 90 6.684 -14.758 3.580 1.00 43.44 C ATOM 1373 C ASP A 90 5.653 -13.909 2.842 1.00 32.32 C ATOM 1374 O ASP A 90 4.598 -13.583 3.388 1.00 64.23 O ATOM 1375 CB ASP A 90 7.154 -15.905 2.684 1.00 53.12 C ATOM 1376 CG ASP A 90 7.921 -16.963 3.452 1.00 1.33 C ATOM 1377 OD1 ASP A 90 8.854 -16.595 4.198 1.00 74.42 O ATOM 1378 OD2 ASP A 90 7.589 -18.158 3.309 1.00 52.31 O ATOM 0 H ASP A 90 5.759 -16.227 4.756 1.00 50.14 H new ATOM 0 HA ASP A 90 7.538 -14.127 3.827 1.00 43.44 H new ATOM 0 HB2 ASP A 90 6.290 -16.364 2.203 1.00 53.12 H new ATOM 0 HB3 ASP A 90 7.786 -15.507 1.890 1.00 53.12 H new ATOM 1383 N ASP A 91 5.965 -13.555 1.601 1.00 51.43 N ATOM 1384 CA ASP A 91 5.065 -12.744 0.788 1.00 23.01 C ATOM 1385 C ASP A 91 4.284 -13.615 -0.191 1.00 42.22 C ATOM 1386 O ASP A 91 3.919 -13.168 -1.279 1.00 31.01 O ATOM 1387 CB ASP A 91 5.853 -11.678 0.025 1.00 25.13 C ATOM 1388 CG ASP A 91 7.096 -12.240 -0.637 1.00 71.22 C ATOM 1389 OD1 ASP A 91 6.984 -12.748 -1.773 1.00 2.25 O ATOM 1390 OD2 ASP A 91 8.180 -12.173 -0.020 1.00 73.31 O ATOM 0 H ASP A 91 6.834 -13.816 1.135 1.00 51.43 H new ATOM 0 HA ASP A 91 4.356 -12.253 1.455 1.00 23.01 H new ATOM 0 HB2 ASP A 91 5.212 -11.230 -0.734 1.00 25.13 H new ATOM 0 HB3 ASP A 91 6.139 -10.881 0.711 1.00 25.13 H new ATOM 1395 N ILE A 92 4.033 -14.859 0.202 1.00 40.11 N ATOM 1396 CA ILE A 92 3.296 -15.792 -0.641 1.00 53.33 C ATOM 1397 C ILE A 92 2.060 -16.323 0.077 1.00 55.44 C ATOM 1398 O ILE A 92 2.104 -16.628 1.269 1.00 52.24 O ATOM 1399 CB ILE A 92 4.176 -16.980 -1.070 1.00 65.11 C ATOM 1400 CG1 ILE A 92 5.408 -16.482 -1.829 1.00 24.43 C ATOM 1401 CG2 ILE A 92 3.377 -17.950 -1.926 1.00 74.44 C ATOM 1402 CD1 ILE A 92 6.330 -17.594 -2.279 1.00 44.33 C ATOM 0 H ILE A 92 4.329 -15.244 1.099 1.00 40.11 H new ATOM 0 HA ILE A 92 2.989 -15.239 -1.529 1.00 53.33 H new ATOM 0 HB ILE A 92 4.511 -17.506 -0.176 1.00 65.11 H new ATOM 0 HG12 ILE A 92 5.083 -15.915 -2.701 1.00 24.43 H new ATOM 0 HG13 ILE A 92 5.965 -15.795 -1.192 1.00 24.43 H new ATOM 0 HG21 ILE A 92 4.013 -18.784 -2.221 1.00 74.44 H new ATOM 0 HG22 ILE A 92 2.528 -18.326 -1.354 1.00 74.44 H new ATOM 0 HG23 ILE A 92 3.016 -17.436 -2.817 1.00 74.44 H new ATOM 0 HD11 ILE A 92 7.181 -17.168 -2.810 1.00 44.33 H new ATOM 0 HD12 ILE A 92 6.685 -18.147 -1.409 1.00 44.33 H new ATOM 0 HD13 ILE A 92 5.789 -18.269 -2.942 1.00 44.33 H new ATOM 1414 N PHE A 93 0.957 -16.432 -0.657 1.00 41.03 N ATOM 1415 CA PHE A 93 -0.292 -16.927 -0.091 1.00 72.22 C ATOM 1416 C PHE A 93 -0.870 -18.051 -0.947 1.00 43.54 C ATOM 1417 O PHE A 93 -1.217 -17.843 -2.110 1.00 72.21 O ATOM 1418 CB PHE A 93 -1.308 -15.790 0.030 1.00 11.53 C ATOM 1419 CG PHE A 93 -2.615 -16.215 0.636 1.00 20.01 C ATOM 1420 CD1 PHE A 93 -2.642 -16.968 1.799 1.00 11.20 C ATOM 1421 CD2 PHE A 93 -3.816 -15.862 0.043 1.00 53.20 C ATOM 1422 CE1 PHE A 93 -3.843 -17.361 2.358 1.00 73.31 C ATOM 1423 CE2 PHE A 93 -5.021 -16.252 0.598 1.00 63.04 C ATOM 1424 CZ PHE A 93 -5.034 -17.002 1.757 1.00 11.13 C ATOM 0 H PHE A 93 0.903 -16.184 -1.645 1.00 41.03 H new ATOM 0 HA PHE A 93 -0.079 -17.323 0.902 1.00 72.22 H new ATOM 0 HB2 PHE A 93 -0.878 -14.992 0.636 1.00 11.53 H new ATOM 0 HB3 PHE A 93 -1.494 -15.373 -0.960 1.00 11.53 H new ATOM 0 HD1 PHE A 93 -1.714 -17.251 2.274 1.00 11.20 H new ATOM 0 HD2 PHE A 93 -3.811 -15.275 -0.864 1.00 53.20 H new ATOM 0 HE1 PHE A 93 -3.851 -17.948 3.264 1.00 73.31 H new ATOM 0 HE2 PHE A 93 -5.950 -15.970 0.126 1.00 63.04 H new ATOM 0 HZ PHE A 93 -5.974 -17.308 2.193 1.00 11.13 H new ATOM 1434 N ARG A 94 -0.968 -19.240 -0.364 1.00 33.43 N ATOM 1435 CA ARG A 94 -1.502 -20.397 -1.073 1.00 25.34 C ATOM 1436 C ARG A 94 -2.969 -20.623 -0.720 1.00 2.55 C ATOM 1437 O ARG A 94 -3.392 -20.368 0.409 1.00 61.04 O ATOM 1438 CB ARG A 94 -0.687 -21.648 -0.737 1.00 32.05 C ATOM 1439 CG ARG A 94 -0.694 -22.000 0.742 1.00 4.32 C ATOM 1440 CD ARG A 94 0.538 -21.456 1.449 1.00 12.35 C ATOM 1441 NE ARG A 94 0.223 -20.301 2.287 1.00 73.42 N ATOM 1442 CZ ARG A 94 -0.506 -20.374 3.395 1.00 21.41 C ATOM 1443 NH1 ARG A 94 -0.992 -21.541 3.797 1.00 2.44 N ATOM 1444 NH2 ARG A 94 -0.749 -19.279 4.104 1.00 75.32 N ATOM 0 H ARG A 94 -0.685 -19.428 0.598 1.00 33.43 H new ATOM 0 HA ARG A 94 -1.430 -20.200 -2.143 1.00 25.34 H new ATOM 0 HB2 ARG A 94 -1.081 -22.491 -1.304 1.00 32.05 H new ATOM 0 HB3 ARG A 94 0.343 -21.499 -1.061 1.00 32.05 H new ATOM 0 HG2 ARG A 94 -1.592 -21.595 1.209 1.00 4.32 H new ATOM 0 HG3 ARG A 94 -0.734 -23.083 0.859 1.00 4.32 H new ATOM 0 HD2 ARG A 94 0.979 -22.240 2.064 1.00 12.35 H new ATOM 0 HD3 ARG A 94 1.286 -21.173 0.708 1.00 12.35 H new ATOM 0 HE ARG A 94 0.583 -19.389 2.006 1.00 73.42 H new ATOM 0 HH11 ARG A 94 -0.806 -22.385 3.255 1.00 2.44 H new ATOM 0 HH12 ARG A 94 -1.551 -21.594 4.648 1.00 2.44 H new ATOM 0 HH21 ARG A 94 -0.376 -18.380 3.798 1.00 75.32 H new ATOM 0 HH22 ARG A 94 -1.309 -19.336 4.955 1.00 75.32 H new ATOM 1458 N ILE A 95 -3.739 -21.100 -1.691 1.00 32.30 N ATOM 1459 CA ILE A 95 -5.158 -21.360 -1.482 1.00 52.12 C ATOM 1460 C ILE A 95 -5.655 -22.469 -2.403 1.00 34.10 C ATOM 1461 O ILE A 95 -5.191 -22.605 -3.535 1.00 55.24 O ATOM 1462 CB ILE A 95 -6.003 -20.094 -1.719 1.00 61.22 C ATOM 1463 CG1 ILE A 95 -5.620 -19.440 -3.048 1.00 64.33 C ATOM 1464 CG2 ILE A 95 -5.823 -19.114 -0.569 1.00 70.43 C ATOM 1465 CD1 ILE A 95 -6.473 -18.242 -3.401 1.00 34.33 C ATOM 0 H ILE A 95 -3.405 -21.314 -2.630 1.00 32.30 H new ATOM 0 HA ILE A 95 -5.272 -21.674 -0.445 1.00 52.12 H new ATOM 0 HB ILE A 95 -7.054 -20.380 -1.766 1.00 61.22 H new ATOM 0 HG12 ILE A 95 -4.575 -19.132 -3.004 1.00 64.33 H new ATOM 0 HG13 ILE A 95 -5.700 -20.180 -3.844 1.00 64.33 H new ATOM 0 HG21 ILE A 95 -6.426 -18.225 -0.751 1.00 70.43 H new ATOM 0 HG22 ILE A 95 -6.140 -19.583 0.362 1.00 70.43 H new ATOM 0 HG23 ILE A 95 -4.773 -18.831 -0.493 1.00 70.43 H new ATOM 0 HD11 ILE A 95 -6.144 -17.830 -4.355 1.00 34.33 H new ATOM 0 HD12 ILE A 95 -7.516 -18.548 -3.478 1.00 34.33 H new ATOM 0 HD13 ILE A 95 -6.374 -17.483 -2.625 1.00 34.33 H new ATOM 1477 N TYR A 96 -6.603 -23.259 -1.910 1.00 41.02 N ATOM 1478 CA TYR A 96 -7.163 -24.357 -2.688 1.00 74.34 C ATOM 1479 C TYR A 96 -8.520 -23.974 -3.273 1.00 22.34 C ATOM 1480 O TYR A 96 -9.500 -23.816 -2.544 1.00 24.33 O ATOM 1481 CB TYR A 96 -7.305 -25.607 -1.817 1.00 52.35 C ATOM 1482 CG TYR A 96 -5.983 -26.238 -1.445 1.00 21.23 C ATOM 1483 CD1 TYR A 96 -5.071 -25.566 -0.640 1.00 55.42 C ATOM 1484 CD2 TYR A 96 -5.645 -27.508 -1.896 1.00 75.24 C ATOM 1485 CE1 TYR A 96 -3.862 -26.138 -0.298 1.00 20.51 C ATOM 1486 CE2 TYR A 96 -4.439 -28.090 -1.558 1.00 2.51 C ATOM 1487 CZ TYR A 96 -3.550 -27.401 -0.759 1.00 13.41 C ATOM 1488 OH TYR A 96 -2.347 -27.975 -0.419 1.00 31.31 O ATOM 0 H TYR A 96 -6.999 -23.159 -0.975 1.00 41.02 H new ATOM 0 HA TYR A 96 -6.480 -24.571 -3.510 1.00 74.34 H new ATOM 0 HB2 TYR A 96 -7.843 -25.346 -0.906 1.00 52.35 H new ATOM 0 HB3 TYR A 96 -7.913 -26.341 -2.346 1.00 52.35 H new ATOM 0 HD1 TYR A 96 -5.312 -24.578 -0.275 1.00 55.42 H new ATOM 0 HD2 TYR A 96 -6.338 -28.050 -2.522 1.00 75.24 H new ATOM 0 HE1 TYR A 96 -3.164 -25.600 0.327 1.00 20.51 H new ATOM 0 HE2 TYR A 96 -4.193 -29.079 -1.917 1.00 2.51 H new ATOM 0 HH TYR A 96 -2.283 -28.865 -0.824 1.00 31.31 H new ATOM 1498 N ILE A 97 -8.568 -23.827 -4.592 1.00 61.53 N ATOM 1499 CA ILE A 97 -9.803 -23.465 -5.276 1.00 34.15 C ATOM 1500 C ILE A 97 -10.609 -24.705 -5.650 1.00 5.21 C ATOM 1501 O ILE A 97 -10.091 -25.630 -6.276 1.00 45.31 O ATOM 1502 CB ILE A 97 -9.523 -22.645 -6.549 1.00 0.04 C ATOM 1503 CG1 ILE A 97 -8.566 -21.492 -6.238 1.00 60.14 C ATOM 1504 CG2 ILE A 97 -10.823 -22.118 -7.136 1.00 55.41 C ATOM 1505 CD1 ILE A 97 -9.068 -20.565 -5.154 1.00 31.35 C ATOM 0 H ILE A 97 -7.766 -23.953 -5.209 1.00 61.53 H new ATOM 0 HA ILE A 97 -10.381 -22.855 -4.581 1.00 34.15 H new ATOM 0 HB ILE A 97 -9.052 -23.295 -7.286 1.00 0.04 H new ATOM 0 HG12 ILE A 97 -7.602 -21.902 -5.936 1.00 60.14 H new ATOM 0 HG13 ILE A 97 -8.397 -20.916 -7.148 1.00 60.14 H new ATOM 0 HG21 ILE A 97 -10.608 -21.540 -8.035 1.00 55.41 H new ATOM 0 HG22 ILE A 97 -11.474 -22.955 -7.389 1.00 55.41 H new ATOM 0 HG23 ILE A 97 -11.320 -21.480 -6.405 1.00 55.41 H new ATOM 0 HD11 ILE A 97 -8.339 -19.772 -4.987 1.00 31.35 H new ATOM 0 HD12 ILE A 97 -10.017 -20.126 -5.461 1.00 31.35 H new ATOM 0 HD13 ILE A 97 -9.210 -21.128 -4.231 1.00 31.35 H new ATOM 1517 N LYS A 98 -11.880 -24.717 -5.264 1.00 2.32 N ATOM 1518 CA LYS A 98 -12.760 -25.841 -5.561 1.00 3.21 C ATOM 1519 C LYS A 98 -14.130 -25.353 -6.020 1.00 0.41 C ATOM 1520 O LYS A 98 -14.762 -24.534 -5.353 1.00 42.23 O ATOM 1521 CB LYS A 98 -12.912 -26.736 -4.329 1.00 3.53 C ATOM 1522 CG LYS A 98 -12.008 -27.956 -4.348 1.00 74.44 C ATOM 1523 CD LYS A 98 -12.490 -29.022 -3.379 1.00 32.44 C ATOM 1524 CE LYS A 98 -12.020 -30.408 -3.794 1.00 43.22 C ATOM 1525 NZ LYS A 98 -13.144 -31.250 -4.288 1.00 61.25 N ATOM 0 H LYS A 98 -12.324 -23.960 -4.744 1.00 2.32 H new ATOM 0 HA LYS A 98 -12.310 -26.418 -6.369 1.00 3.21 H new ATOM 0 HB2 LYS A 98 -12.698 -26.149 -3.436 1.00 3.53 H new ATOM 0 HB3 LYS A 98 -13.949 -27.064 -4.254 1.00 3.53 H new ATOM 0 HG2 LYS A 98 -11.973 -28.369 -5.356 1.00 74.44 H new ATOM 0 HG3 LYS A 98 -10.991 -27.661 -4.089 1.00 74.44 H new ATOM 0 HD2 LYS A 98 -12.123 -28.797 -2.378 1.00 32.44 H new ATOM 0 HD3 LYS A 98 -13.579 -29.005 -3.331 1.00 32.44 H new ATOM 0 HE2 LYS A 98 -11.264 -30.317 -4.574 1.00 43.22 H new ATOM 0 HE3 LYS A 98 -11.544 -30.899 -2.945 1.00 43.22 H new ATOM 0 HZ1 LYS A 98 -12.783 -32.186 -4.561 1.00 61.25 H new ATOM 0 HZ2 LYS A 98 -13.853 -31.359 -3.535 1.00 61.25 H new ATOM 0 HZ3 LYS A 98 -13.582 -30.794 -5.114 1.00 61.25 H new ATOM 1539 N GLU A 99 -14.583 -25.862 -7.161 1.00 71.21 N ATOM 1540 CA GLU A 99 -15.879 -25.477 -7.707 1.00 72.44 C ATOM 1541 C GLU A 99 -17.011 -26.206 -6.988 1.00 43.10 C ATOM 1542 O GLU A 99 -16.942 -27.414 -6.761 1.00 24.01 O ATOM 1543 CB GLU A 99 -15.936 -25.779 -9.206 1.00 45.14 C ATOM 1544 CG GLU A 99 -15.555 -27.208 -9.555 1.00 22.04 C ATOM 1545 CD GLU A 99 -16.688 -27.970 -10.214 1.00 13.42 C ATOM 1546 OE1 GLU A 99 -17.633 -28.364 -9.499 1.00 72.23 O ATOM 1547 OE2 GLU A 99 -16.630 -28.171 -11.445 1.00 41.31 O ATOM 0 H GLU A 99 -14.072 -26.541 -7.725 1.00 71.21 H new ATOM 0 HA GLU A 99 -16.005 -24.405 -7.554 1.00 72.44 H new ATOM 0 HB2 GLU A 99 -16.945 -25.582 -9.569 1.00 45.14 H new ATOM 0 HB3 GLU A 99 -15.269 -25.096 -9.731 1.00 45.14 H new ATOM 0 HG2 GLU A 99 -14.693 -27.198 -10.222 1.00 22.04 H new ATOM 0 HG3 GLU A 99 -15.250 -27.730 -8.648 1.00 22.04 H new ATOM 1554 N LYS A 100 -18.052 -25.462 -6.631 1.00 74.31 N ATOM 1555 CA LYS A 100 -19.200 -26.035 -5.938 1.00 73.00 C ATOM 1556 C LYS A 100 -19.956 -27.002 -6.844 1.00 24.42 C ATOM 1557 O LYS A 100 -20.002 -28.205 -6.583 1.00 3.23 O ATOM 1558 CB LYS A 100 -20.141 -24.925 -5.463 1.00 23.35 C ATOM 1559 CG LYS A 100 -19.524 -24.011 -4.418 1.00 44.04 C ATOM 1560 CD LYS A 100 -20.575 -23.457 -3.471 1.00 44.01 C ATOM 1561 CE LYS A 100 -21.614 -22.632 -4.213 1.00 55.35 C ATOM 1562 NZ LYS A 100 -22.336 -21.700 -3.303 1.00 72.02 N ATOM 0 H LYS A 100 -18.125 -24.460 -6.810 1.00 74.31 H new ATOM 0 HA LYS A 100 -18.832 -26.587 -5.073 1.00 73.00 H new ATOM 0 HB2 LYS A 100 -20.447 -24.327 -6.322 1.00 23.35 H new ATOM 0 HB3 LYS A 100 -21.044 -25.377 -5.051 1.00 23.35 H new ATOM 0 HG2 LYS A 100 -18.774 -24.561 -3.849 1.00 44.04 H new ATOM 0 HG3 LYS A 100 -19.008 -23.188 -4.912 1.00 44.04 H new ATOM 0 HD2 LYS A 100 -21.066 -24.279 -2.950 1.00 44.01 H new ATOM 0 HD3 LYS A 100 -20.094 -22.840 -2.712 1.00 44.01 H new ATOM 0 HE2 LYS A 100 -21.127 -22.062 -5.005 1.00 55.35 H new ATOM 0 HE3 LYS A 100 -22.331 -23.298 -4.694 1.00 55.35 H new ATOM 0 HZ1 LYS A 100 -23.036 -21.156 -3.847 1.00 72.02 H new ATOM 0 HZ2 LYS A 100 -22.822 -22.245 -2.562 1.00 72.02 H new ATOM 0 HZ3 LYS A 100 -21.656 -21.048 -2.863 1.00 72.02 H new