USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 7 SER OG : rot -70:sc= 0.679 USER MOD Single : A 9 SER OG : rot -150:sc= -0.679 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0933 X(o=-0.093,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 29:sc= 0.0339 USER MOD Single : A 38 HIS : no HD1:sc= -1.76 K(o=-1.5,f=-6.3!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.248 -30.956 -8.912 1.00 0.00 N ATOM 2 CA ALA A 1 5.720 -32.362 -9.011 1.00 0.00 C ATOM 3 C ALA A 1 4.644 -33.333 -8.537 1.00 0.00 C ATOM 4 O ALA A 1 3.995 -33.999 -9.344 1.00 0.00 O ATOM 5 CB ALA A 1 6.993 -32.550 -8.200 1.00 0.00 C ATOM 0 H1 ALA A 1 5.998 -30.314 -9.240 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.402 -30.831 -9.504 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.014 -30.737 -7.923 1.00 0.00 H new ATOM 0 HA ALA A 1 5.934 -32.575 -10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.327 -33.584 -8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.769 -31.887 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.796 -32.314 -7.154 1.00 0.00 H new ATOM 11 N GLU A 2 4.459 -33.409 -7.223 1.00 0.00 N ATOM 12 CA GLU A 2 3.461 -34.299 -6.641 1.00 0.00 C ATOM 13 C GLU A 2 2.178 -33.541 -6.317 1.00 0.00 C ATOM 14 O GLU A 2 1.083 -34.101 -6.372 1.00 0.00 O ATOM 15 CB GLU A 2 4.012 -34.958 -5.375 1.00 0.00 C ATOM 16 CG GLU A 2 3.047 -35.943 -4.733 1.00 0.00 C ATOM 17 CD GLU A 2 3.549 -36.466 -3.402 1.00 0.00 C ATOM 18 OE1 GLU A 2 4.623 -37.104 -3.382 1.00 0.00 O ATOM 19 OE2 GLU A 2 2.869 -36.239 -2.380 1.00 0.00 O ATOM 0 H GLU A 2 4.987 -32.865 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 2 3.229 -35.072 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.939 -35.477 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.262 -34.183 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.082 -35.458 -4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.884 -36.781 -5.411 1.00 0.00 H new ATOM 26 N VAL A 3 2.321 -32.264 -5.977 1.00 0.00 N ATOM 27 CA VAL A 3 1.174 -31.429 -5.643 1.00 0.00 C ATOM 28 C VAL A 3 0.256 -31.245 -6.847 1.00 0.00 C ATOM 29 O VAL A 3 0.677 -31.412 -7.992 1.00 0.00 O ATOM 30 CB VAL A 3 1.616 -30.044 -5.134 1.00 0.00 C ATOM 31 CG1 VAL A 3 2.171 -30.145 -3.722 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.641 -29.432 -6.076 1.00 0.00 C ATOM 0 H VAL A 3 3.220 -31.785 -5.926 1.00 0.00 H new ATOM 0 HA VAL A 3 0.630 -31.944 -4.851 1.00 0.00 H new ATOM 0 HB VAL A 3 0.744 -29.391 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.478 -29.157 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.402 -30.537 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.031 -30.814 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.942 -28.454 -5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.514 -30.082 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.203 -29.321 -7.068 1.00 0.00 H new ATOM 42 N LYS A 4 -0.999 -30.900 -6.579 1.00 0.00 N ATOM 43 CA LYS A 4 -1.978 -30.692 -7.640 1.00 0.00 C ATOM 44 C LYS A 4 -3.286 -30.152 -7.070 1.00 0.00 C ATOM 45 O LYS A 4 -4.097 -30.909 -6.536 1.00 0.00 O ATOM 46 CB LYS A 4 -2.236 -32.001 -8.389 1.00 0.00 C ATOM 47 CG LYS A 4 -2.486 -33.188 -7.473 1.00 0.00 C ATOM 48 CD LYS A 4 -2.662 -34.474 -8.264 1.00 0.00 C ATOM 49 CE LYS A 4 -3.754 -35.349 -7.669 1.00 0.00 C ATOM 50 NZ LYS A 4 -4.543 -36.046 -8.722 1.00 0.00 N ATOM 0 H LYS A 4 -1.362 -30.759 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.574 -29.958 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.097 -31.871 -9.044 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.380 -32.219 -9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.651 -33.297 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.377 -33.004 -6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.909 -34.235 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.721 -35.024 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.306 -36.087 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.420 -34.736 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.277 -36.632 -8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.992 -35.342 -9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.912 -36.651 -9.285 1.00 0.00 H new ATOM 64 N GLN A 5 -3.478 -28.838 -7.193 1.00 0.00 N ATOM 65 CA GLN A 5 -4.683 -28.163 -6.696 1.00 0.00 C ATOM 66 C GLN A 5 -5.245 -28.845 -5.449 1.00 0.00 C ATOM 67 O GLN A 5 -6.459 -28.979 -5.295 1.00 0.00 O ATOM 68 CB GLN A 5 -5.752 -28.123 -7.789 1.00 0.00 C ATOM 69 CG GLN A 5 -5.235 -27.625 -9.129 1.00 0.00 C ATOM 70 CD GLN A 5 -5.829 -28.381 -10.300 1.00 0.00 C ATOM 71 OE1 GLN A 5 -7.027 -28.661 -10.331 1.00 0.00 O ATOM 72 NE2 GLN A 5 -4.990 -28.718 -11.274 1.00 0.00 N ATOM 0 H GLN A 5 -2.807 -28.212 -7.638 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.399 -27.147 -6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.165 -29.123 -7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.569 -27.480 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.465 -26.565 -9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.149 -27.720 -9.153 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.004 -28.466 -11.208 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.332 -29.229 -12.088 1.00 0.00 H new ATOM 81 N GLU A 6 -4.353 -29.270 -4.561 1.00 0.00 N ATOM 82 CA GLU A 6 -4.757 -29.933 -3.327 1.00 0.00 C ATOM 83 C GLU A 6 -5.185 -28.908 -2.279 1.00 0.00 C ATOM 84 O GLU A 6 -5.474 -27.758 -2.608 1.00 0.00 O ATOM 85 CB GLU A 6 -3.608 -30.791 -2.789 1.00 0.00 C ATOM 86 CG GLU A 6 -4.062 -32.119 -2.206 1.00 0.00 C ATOM 87 CD GLU A 6 -3.330 -32.474 -0.926 1.00 0.00 C ATOM 88 OE1 GLU A 6 -3.424 -31.695 0.047 1.00 0.00 O ATOM 89 OE2 GLU A 6 -2.664 -33.529 -0.896 1.00 0.00 O ATOM 0 H GLU A 6 -3.344 -29.167 -4.673 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.608 -30.578 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.899 -30.981 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.075 -30.230 -2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.133 -32.078 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.904 -32.908 -2.942 1.00 0.00 H new ATOM 96 N SER A 7 -5.222 -29.329 -1.018 1.00 0.00 N ATOM 97 CA SER A 7 -5.614 -28.441 0.069 1.00 0.00 C ATOM 98 C SER A 7 -4.614 -27.298 0.219 1.00 0.00 C ATOM 99 O SER A 7 -4.970 -26.202 0.651 1.00 0.00 O ATOM 100 CB SER A 7 -5.717 -29.220 1.382 1.00 0.00 C ATOM 101 OG SER A 7 -4.606 -30.083 1.551 1.00 0.00 O ATOM 0 H SER A 7 -4.986 -30.277 -0.725 1.00 0.00 H new ATOM 0 HA SER A 7 -6.590 -28.020 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.771 -28.523 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.639 -29.802 1.392 1.00 0.00 H new ATOM 0 HG SER A 7 -4.662 -30.818 0.905 1.00 0.00 H new ATOM 107 N LEU A 8 -3.362 -27.563 -0.144 1.00 0.00 N ATOM 108 CA LEU A 8 -2.309 -26.556 -0.052 1.00 0.00 C ATOM 109 C LEU A 8 -2.585 -25.369 -0.973 1.00 0.00 C ATOM 110 O LEU A 8 -1.930 -24.332 -0.866 1.00 0.00 O ATOM 111 CB LEU A 8 -0.951 -27.167 -0.393 1.00 0.00 C ATOM 112 CG LEU A 8 -0.900 -27.944 -1.712 1.00 0.00 C ATOM 113 CD1 LEU A 8 -0.337 -27.072 -2.823 1.00 0.00 C ATOM 114 CD2 LEU A 8 -0.070 -29.209 -1.553 1.00 0.00 C ATOM 0 H LEU A 8 -3.052 -28.466 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.294 -26.194 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.210 -26.368 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.658 -27.836 0.416 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.916 -28.231 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.308 -27.641 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.971 -26.195 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.672 -26.755 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.044 -29.749 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.945 -28.943 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.516 -29.843 -0.786 1.00 0.00 H new ATOM 126 N SER A 9 -3.553 -25.515 -1.876 1.00 0.00 N ATOM 127 CA SER A 9 -3.893 -24.440 -2.799 1.00 0.00 C ATOM 128 C SER A 9 -4.265 -23.179 -2.026 1.00 0.00 C ATOM 129 O SER A 9 -4.099 -22.063 -2.520 1.00 0.00 O ATOM 130 CB SER A 9 -5.051 -24.860 -3.705 1.00 0.00 C ATOM 131 OG SER A 9 -4.574 -25.432 -4.910 1.00 0.00 O ATOM 0 H SER A 9 -4.111 -26.362 -1.986 1.00 0.00 H new ATOM 0 HA SER A 9 -3.022 -24.230 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.683 -25.578 -3.183 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.673 -23.994 -3.931 1.00 0.00 H new ATOM 0 HG SER A 9 -5.215 -25.259 -5.631 1.00 0.00 H new ATOM 137 N GLY A 10 -4.754 -23.367 -0.804 1.00 0.00 N ATOM 138 CA GLY A 10 -5.124 -22.240 0.027 1.00 0.00 C ATOM 139 C GLY A 10 -3.913 -21.575 0.650 1.00 0.00 C ATOM 140 O GLY A 10 -3.929 -20.378 0.935 1.00 0.00 O ATOM 0 H GLY A 10 -4.900 -24.281 -0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.670 -21.511 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.799 -22.576 0.814 1.00 0.00 H new ATOM 144 N ILE A 11 -2.854 -22.357 0.858 1.00 0.00 N ATOM 145 CA ILE A 11 -1.627 -21.834 1.445 1.00 0.00 C ATOM 146 C ILE A 11 -0.829 -21.040 0.417 1.00 0.00 C ATOM 147 O ILE A 11 -0.500 -19.874 0.638 1.00 0.00 O ATOM 148 CB ILE A 11 -0.742 -22.966 2.002 1.00 0.00 C ATOM 149 CG1 ILE A 11 -1.570 -23.903 2.884 1.00 0.00 C ATOM 150 CG2 ILE A 11 0.427 -22.389 2.784 1.00 0.00 C ATOM 151 CD1 ILE A 11 -0.774 -25.057 3.454 1.00 0.00 C ATOM 0 H ILE A 11 -2.824 -23.350 0.629 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.920 -21.178 2.265 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.345 -23.541 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.002 -23.330 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.401 -24.299 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.042 -23.201 3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.028 -21.759 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.050 -21.792 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.425 -25.679 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.364 -25.654 2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.041 -24.670 4.065 1.00 0.00 H new ATOM 163 N THR A 12 -0.527 -21.677 -0.709 1.00 0.00 N ATOM 164 CA THR A 12 0.225 -21.028 -1.775 1.00 0.00 C ATOM 165 C THR A 12 -0.561 -19.856 -2.352 1.00 0.00 C ATOM 166 O THR A 12 -0.054 -18.737 -2.440 1.00 0.00 O ATOM 167 CB THR A 12 0.554 -22.032 -2.881 1.00 0.00 C ATOM 168 OG1 THR A 12 1.065 -23.234 -2.331 1.00 0.00 O ATOM 169 CG2 THR A 12 1.569 -21.516 -3.877 1.00 0.00 C ATOM 0 H THR A 12 -0.792 -22.642 -0.907 1.00 0.00 H new ATOM 0 HA THR A 12 1.156 -20.648 -1.353 1.00 0.00 H new ATOM 0 HB THR A 12 -0.387 -22.204 -3.403 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.268 -23.864 -3.054 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.756 -22.278 -4.634 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.184 -20.616 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.500 -21.282 -3.360 1.00 0.00 H new ATOM 177 N GLU A 13 -1.805 -20.120 -2.741 1.00 0.00 N ATOM 178 CA GLU A 13 -2.665 -19.086 -3.306 1.00 0.00 C ATOM 179 C GLU A 13 -3.065 -18.067 -2.242 1.00 0.00 C ATOM 180 O GLU A 13 -3.401 -16.926 -2.558 1.00 0.00 O ATOM 181 CB GLU A 13 -3.917 -19.715 -3.922 1.00 0.00 C ATOM 182 CG GLU A 13 -4.488 -18.920 -5.084 1.00 0.00 C ATOM 183 CD GLU A 13 -6.003 -18.869 -5.067 1.00 0.00 C ATOM 184 OE1 GLU A 13 -6.575 -18.563 -4.000 1.00 0.00 O ATOM 185 OE2 GLU A 13 -6.618 -19.136 -6.121 1.00 0.00 O ATOM 0 H GLU A 13 -2.239 -21.041 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.105 -18.569 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.677 -20.722 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.681 -19.814 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.094 -17.904 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.154 -19.363 -6.022 1.00 0.00 H new ATOM 192 N GLY A 14 -3.023 -18.485 -0.981 1.00 0.00 N ATOM 193 CA GLY A 14 -3.380 -17.594 0.108 1.00 0.00 C ATOM 194 C GLY A 14 -2.317 -16.545 0.363 1.00 0.00 C ATOM 195 O GLY A 14 -2.595 -15.346 0.320 1.00 0.00 O ATOM 0 H GLY A 14 -2.748 -19.424 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.325 -17.102 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.537 -18.177 1.015 1.00 0.00 H new ATOM 199 N GLU A 15 -1.095 -16.997 0.619 1.00 0.00 N ATOM 200 CA GLU A 15 0.017 -16.089 0.870 1.00 0.00 C ATOM 201 C GLU A 15 0.290 -15.244 -0.365 1.00 0.00 C ATOM 202 O GLU A 15 0.504 -14.034 -0.272 1.00 0.00 O ATOM 203 CB GLU A 15 1.272 -16.875 1.257 1.00 0.00 C ATOM 204 CG GLU A 15 1.721 -17.864 0.194 1.00 0.00 C ATOM 205 CD GLU A 15 2.537 -19.005 0.769 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.026 -19.709 1.664 1.00 0.00 O ATOM 207 OE2 GLU A 15 3.689 -19.194 0.323 1.00 0.00 O ATOM 0 H GLU A 15 -0.849 -17.986 0.658 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.250 -15.432 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.083 -16.174 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.082 -17.413 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.846 -18.268 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.313 -17.341 -0.557 1.00 0.00 H new ATOM 214 N ALA A 16 0.269 -15.891 -1.527 1.00 0.00 N ATOM 215 CA ALA A 16 0.498 -15.205 -2.790 1.00 0.00 C ATOM 216 C ALA A 16 -0.530 -14.100 -2.989 1.00 0.00 C ATOM 217 O ALA A 16 -0.192 -12.973 -3.355 1.00 0.00 O ATOM 218 CB ALA A 16 0.444 -16.197 -3.940 1.00 0.00 C ATOM 0 H ALA A 16 0.095 -16.892 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 16 1.489 -14.751 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.617 -15.674 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.213 -16.957 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.536 -16.673 -3.964 1.00 0.00 H new ATOM 224 N LYS A 17 -1.792 -14.433 -2.734 1.00 0.00 N ATOM 225 CA LYS A 17 -2.881 -13.477 -2.872 1.00 0.00 C ATOM 226 C LYS A 17 -2.687 -12.304 -1.919 1.00 0.00 C ATOM 227 O LYS A 17 -3.049 -11.169 -2.231 1.00 0.00 O ATOM 228 CB LYS A 17 -4.220 -14.161 -2.591 1.00 0.00 C ATOM 229 CG LYS A 17 -5.423 -13.255 -2.802 1.00 0.00 C ATOM 230 CD LYS A 17 -5.907 -12.657 -1.491 1.00 0.00 C ATOM 231 CE LYS A 17 -6.856 -13.598 -0.766 1.00 0.00 C ATOM 232 NZ LYS A 17 -6.739 -13.475 0.714 1.00 0.00 N ATOM 0 H LYS A 17 -2.084 -15.362 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.881 -13.099 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.315 -15.034 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.225 -14.523 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.160 -12.454 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.231 -13.823 -3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.052 -12.438 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.410 -11.710 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.881 -13.383 -1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.645 -14.625 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.402 -14.133 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.768 -13.705 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.965 -12.501 1.000 1.00 0.00 H new ATOM 246 N GLU A 18 -2.112 -12.588 -0.754 1.00 0.00 N ATOM 247 CA GLU A 18 -1.865 -11.560 0.248 1.00 0.00 C ATOM 248 C GLU A 18 -0.835 -10.554 -0.251 1.00 0.00 C ATOM 249 O GLU A 18 -1.099 -9.359 -0.304 1.00 0.00 O ATOM 250 CB GLU A 18 -1.385 -12.195 1.555 1.00 0.00 C ATOM 251 CG GLU A 18 -1.917 -11.501 2.799 1.00 0.00 C ATOM 252 CD GLU A 18 -0.962 -10.455 3.336 1.00 0.00 C ATOM 253 OE1 GLU A 18 0.263 -10.697 3.303 1.00 0.00 O ATOM 254 OE2 GLU A 18 -1.437 -9.393 3.791 1.00 0.00 O ATOM 0 H GLU A 18 -1.809 -13.523 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.802 -11.034 0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.690 -13.241 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.295 -12.180 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.873 -11.030 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.107 -12.245 3.572 1.00 0.00 H new ATOM 261 N PHE A 19 0.341 -11.052 -0.616 1.00 0.00 N ATOM 262 CA PHE A 19 1.418 -10.201 -1.109 1.00 0.00 C ATOM 263 C PHE A 19 0.968 -9.387 -2.320 1.00 0.00 C ATOM 264 O PHE A 19 1.399 -8.249 -2.509 1.00 0.00 O ATOM 265 CB PHE A 19 2.636 -11.052 -1.478 1.00 0.00 C ATOM 266 CG PHE A 19 3.735 -11.000 -0.455 1.00 0.00 C ATOM 267 CD1 PHE A 19 3.465 -11.233 0.884 1.00 0.00 C ATOM 268 CD2 PHE A 19 5.038 -10.719 -0.833 1.00 0.00 C ATOM 269 CE1 PHE A 19 4.473 -11.187 1.827 1.00 0.00 C ATOM 270 CE2 PHE A 19 6.051 -10.671 0.106 1.00 0.00 C ATOM 271 CZ PHE A 19 5.768 -10.905 1.437 1.00 0.00 C ATOM 0 H PHE A 19 0.573 -12.044 -0.580 1.00 0.00 H new ATOM 0 HA PHE A 19 1.690 -9.508 -0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.320 -12.087 -1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.028 -10.715 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.454 -11.453 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.265 -10.535 -1.873 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.249 -11.371 2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.063 -10.451 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.558 -10.868 2.172 1.00 0.00 H new ATOM 281 N HIS A 20 0.098 -9.973 -3.135 1.00 0.00 N ATOM 282 CA HIS A 20 -0.407 -9.294 -4.323 1.00 0.00 C ATOM 283 C HIS A 20 -1.354 -8.159 -3.941 1.00 0.00 C ATOM 284 O HIS A 20 -1.134 -7.002 -4.307 1.00 0.00 O ATOM 285 CB HIS A 20 -1.125 -10.287 -5.239 1.00 0.00 C ATOM 286 CG HIS A 20 -0.207 -11.275 -5.887 1.00 0.00 C ATOM 287 ND1 HIS A 20 1.139 -11.039 -6.077 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.445 -12.508 -6.392 1.00 0.00 C ATOM 289 CE1 HIS A 20 1.688 -12.084 -6.671 1.00 0.00 C ATOM 290 NE2 HIS A 20 0.748 -12.989 -6.873 1.00 0.00 N ATOM 0 H HIS A 20 -0.271 -10.914 -2.996 1.00 0.00 H new ATOM 0 HA HIS A 20 0.444 -8.869 -4.856 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.875 -10.826 -4.660 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.657 -9.735 -6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.396 -13.019 -6.413 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.728 -12.181 -6.945 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.886 -13.898 -7.315 1.00 0.00 H new ATOM 299 N LYS A 21 -2.409 -8.497 -3.206 1.00 0.00 N ATOM 300 CA LYS A 21 -3.392 -7.509 -2.775 1.00 0.00 C ATOM 301 C LYS A 21 -2.733 -6.397 -1.964 1.00 0.00 C ATOM 302 O LYS A 21 -2.958 -5.215 -2.218 1.00 0.00 O ATOM 303 CB LYS A 21 -4.491 -8.179 -1.948 1.00 0.00 C ATOM 304 CG LYS A 21 -5.891 -7.688 -2.284 1.00 0.00 C ATOM 305 CD LYS A 21 -6.309 -8.117 -3.681 1.00 0.00 C ATOM 306 CE LYS A 21 -7.695 -7.599 -4.031 1.00 0.00 C ATOM 307 NZ LYS A 21 -7.910 -7.537 -5.504 1.00 0.00 N ATOM 0 H LYS A 21 -2.605 -9.449 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.836 -7.066 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.446 -9.257 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.297 -8.002 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.600 -8.079 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.924 -6.601 -2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.586 -7.746 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.298 -9.205 -3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.448 -8.246 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.830 -6.606 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.866 -7.179 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.207 -6.900 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.806 -8.489 -5.910 1.00 0.00 H new ATOM 321 N ILE A 22 -1.918 -6.784 -0.988 1.00 0.00 N ATOM 322 CA ILE A 22 -1.227 -5.824 -0.143 1.00 0.00 C ATOM 323 C ILE A 22 -0.324 -4.918 -0.973 1.00 0.00 C ATOM 324 O ILE A 22 -0.194 -3.726 -0.695 1.00 0.00 O ATOM 325 CB ILE A 22 -0.393 -6.536 0.945 1.00 0.00 C ATOM 326 CG1 ILE A 22 0.859 -7.185 0.346 1.00 0.00 C ATOM 327 CG2 ILE A 22 -1.239 -7.573 1.671 1.00 0.00 C ATOM 328 CD1 ILE A 22 1.766 -7.809 1.385 1.00 0.00 C ATOM 0 H ILE A 22 -1.721 -7.760 -0.764 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.987 -5.214 0.345 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.068 -5.786 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.556 -7.950 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.419 -6.433 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.636 -8.065 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.091 -7.082 2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.597 -8.315 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.633 -8.250 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.097 -7.043 2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.222 -8.584 1.925 1.00 0.00 H new ATOM 340 N PHE A 23 0.293 -5.495 -2.000 1.00 0.00 N ATOM 341 CA PHE A 23 1.178 -4.742 -2.880 1.00 0.00 C ATOM 342 C PHE A 23 0.408 -3.634 -3.588 1.00 0.00 C ATOM 343 O PHE A 23 0.664 -2.448 -3.376 1.00 0.00 O ATOM 344 CB PHE A 23 1.824 -5.672 -3.910 1.00 0.00 C ATOM 345 CG PHE A 23 3.242 -6.042 -3.579 1.00 0.00 C ATOM 346 CD1 PHE A 23 3.564 -6.567 -2.338 1.00 0.00 C ATOM 347 CD2 PHE A 23 4.253 -5.867 -4.511 1.00 0.00 C ATOM 348 CE1 PHE A 23 4.867 -6.908 -2.030 1.00 0.00 C ATOM 349 CE2 PHE A 23 5.558 -6.206 -4.209 1.00 0.00 C ATOM 350 CZ PHE A 23 5.866 -6.727 -2.967 1.00 0.00 C ATOM 0 H PHE A 23 0.196 -6.481 -2.242 1.00 0.00 H new ATOM 0 HA PHE A 23 1.963 -4.291 -2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.229 -6.582 -3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.802 -5.190 -4.887 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.787 -6.712 -1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.018 -5.461 -5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.104 -7.315 -1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.337 -6.064 -4.943 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.886 -6.992 -2.729 1.00 0.00 H new ATOM 360 N THR A 24 -0.541 -4.031 -4.430 1.00 0.00 N ATOM 361 CA THR A 24 -1.355 -3.077 -5.170 1.00 0.00 C ATOM 362 C THR A 24 -2.013 -2.074 -4.221 1.00 0.00 C ATOM 363 O THR A 24 -1.962 -0.864 -4.445 1.00 0.00 O ATOM 364 CB THR A 24 -2.409 -3.834 -5.993 1.00 0.00 C ATOM 365 OG1 THR A 24 -2.397 -3.393 -7.336 1.00 0.00 O ATOM 366 CG2 THR A 24 -3.827 -3.696 -5.475 1.00 0.00 C ATOM 0 H THR A 24 -0.764 -5.009 -4.616 1.00 0.00 H new ATOM 0 HA THR A 24 -0.716 -2.513 -5.850 1.00 0.00 H new ATOM 0 HB THR A 24 -2.127 -4.883 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.072 -3.885 -7.848 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.505 -4.261 -6.115 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.882 -4.082 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.116 -2.645 -5.480 1.00 0.00 H new ATOM 374 N SER A 25 -2.627 -2.590 -3.161 1.00 0.00 N ATOM 375 CA SER A 25 -3.293 -1.750 -2.172 1.00 0.00 C ATOM 376 C SER A 25 -2.348 -0.683 -1.628 1.00 0.00 C ATOM 377 O SER A 25 -2.669 0.504 -1.638 1.00 0.00 O ATOM 378 CB SER A 25 -3.827 -2.607 -1.022 1.00 0.00 C ATOM 379 OG SER A 25 -4.834 -1.922 -0.299 1.00 0.00 O ATOM 0 H SER A 25 -2.677 -3.590 -2.965 1.00 0.00 H new ATOM 0 HA SER A 25 -4.127 -1.250 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.229 -3.540 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.009 -2.871 -0.351 1.00 0.00 H new ATOM 0 HG SER A 25 -5.159 -2.492 0.429 1.00 0.00 H new ATOM 385 N SER A 26 -1.185 -1.113 -1.148 1.00 0.00 N ATOM 386 CA SER A 26 -0.195 -0.196 -0.593 1.00 0.00 C ATOM 387 C SER A 26 0.188 0.886 -1.600 1.00 0.00 C ATOM 388 O SER A 26 0.414 2.037 -1.229 1.00 0.00 O ATOM 389 CB SER A 26 1.054 -0.962 -0.150 1.00 0.00 C ATOM 390 OG SER A 26 1.449 -1.907 -1.129 1.00 0.00 O ATOM 0 H SER A 26 -0.905 -2.094 -1.132 1.00 0.00 H new ATOM 0 HA SER A 26 -0.644 0.289 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.868 -0.261 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.856 -1.472 0.793 1.00 0.00 H new ATOM 0 HG SER A 26 1.176 -1.592 -2.016 1.00 0.00 H new ATOM 396 N ILE A 27 0.264 0.512 -2.872 1.00 0.00 N ATOM 397 CA ILE A 27 0.625 1.458 -3.924 1.00 0.00 C ATOM 398 C ILE A 27 -0.435 2.548 -4.090 1.00 0.00 C ATOM 399 O ILE A 27 -0.136 3.738 -3.985 1.00 0.00 O ATOM 400 CB ILE A 27 0.830 0.743 -5.275 1.00 0.00 C ATOM 401 CG1 ILE A 27 1.867 -0.373 -5.133 1.00 0.00 C ATOM 402 CG2 ILE A 27 1.260 1.736 -6.346 1.00 0.00 C ATOM 403 CD1 ILE A 27 1.625 -1.545 -6.059 1.00 0.00 C ATOM 0 H ILE A 27 0.081 -0.436 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 27 1.563 1.921 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.118 0.300 -5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.858 0.036 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.867 -0.729 -4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.400 1.213 -7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.491 2.500 -6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.197 2.207 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.398 -2.297 -5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.648 -1.980 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.654 -1.203 -7.094 1.00 0.00 H new ATOM 415 N LEU A 28 -1.668 2.132 -4.365 1.00 0.00 N ATOM 416 CA LEU A 28 -2.769 3.072 -4.563 1.00 0.00 C ATOM 417 C LEU A 28 -3.043 3.889 -3.304 1.00 0.00 C ATOM 418 O LEU A 28 -3.262 5.096 -3.375 1.00 0.00 O ATOM 419 CB LEU A 28 -4.032 2.320 -4.981 1.00 0.00 C ATOM 420 CG LEU A 28 -3.825 1.274 -6.081 1.00 0.00 C ATOM 421 CD1 LEU A 28 -4.376 -0.076 -5.649 1.00 0.00 C ATOM 422 CD2 LEU A 28 -4.476 1.727 -7.379 1.00 0.00 C ATOM 0 H LEU A 28 -1.931 1.151 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.478 3.763 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.450 1.826 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.772 3.044 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.754 1.167 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.219 -0.805 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.862 -0.407 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.443 0.015 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.318 0.971 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.545 1.866 -7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.031 2.669 -7.700 1.00 0.00 H new ATOM 434 N VAL A 29 -3.032 3.223 -2.159 1.00 0.00 N ATOM 435 CA VAL A 29 -3.279 3.879 -0.887 1.00 0.00 C ATOM 436 C VAL A 29 -2.141 4.832 -0.536 1.00 0.00 C ATOM 437 O VAL A 29 -2.375 5.932 -0.041 1.00 0.00 O ATOM 438 CB VAL A 29 -3.466 2.848 0.244 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.533 1.832 -0.132 1.00 0.00 C ATOM 440 CG2 VAL A 29 -2.153 2.154 0.571 1.00 0.00 C ATOM 0 H VAL A 29 -2.853 2.221 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.200 4.453 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.796 3.379 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.652 1.112 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.479 2.345 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.234 1.310 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.313 1.432 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.784 1.637 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.420 2.894 0.891 1.00 0.00 H new ATOM 450 N PHE A 30 -0.909 4.408 -0.808 1.00 0.00 N ATOM 451 CA PHE A 30 0.258 5.240 -0.535 1.00 0.00 C ATOM 452 C PHE A 30 0.163 6.531 -1.337 1.00 0.00 C ATOM 453 O PHE A 30 -0.089 7.603 -0.786 1.00 0.00 O ATOM 454 CB PHE A 30 1.547 4.494 -0.888 1.00 0.00 C ATOM 455 CG PHE A 30 2.791 5.318 -0.709 1.00 0.00 C ATOM 456 CD1 PHE A 30 3.215 5.688 0.558 1.00 0.00 C ATOM 457 CD2 PHE A 30 3.533 5.724 -1.806 1.00 0.00 C ATOM 458 CE1 PHE A 30 4.357 6.446 0.725 1.00 0.00 C ATOM 459 CE2 PHE A 30 4.677 6.483 -1.644 1.00 0.00 C ATOM 460 CZ PHE A 30 5.089 6.844 -0.376 1.00 0.00 C ATOM 0 H PHE A 30 -0.694 3.498 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 30 0.281 5.476 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.621 3.601 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.490 4.159 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.646 5.380 1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.214 5.444 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.678 6.728 1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.247 6.793 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.982 7.437 -0.246 1.00 0.00 H new ATOM 470 N PHE A 31 0.342 6.413 -2.649 1.00 0.00 N ATOM 471 CA PHE A 31 0.251 7.561 -3.538 1.00 0.00 C ATOM 472 C PHE A 31 -1.127 8.198 -3.423 1.00 0.00 C ATOM 473 O PHE A 31 -1.281 9.410 -3.571 1.00 0.00 O ATOM 474 CB PHE A 31 0.504 7.133 -4.982 1.00 0.00 C ATOM 475 CG PHE A 31 1.187 8.182 -5.813 1.00 0.00 C ATOM 476 CD1 PHE A 31 2.303 8.848 -5.331 1.00 0.00 C ATOM 477 CD2 PHE A 31 0.713 8.503 -7.074 1.00 0.00 C ATOM 478 CE1 PHE A 31 2.933 9.814 -6.092 1.00 0.00 C ATOM 479 CE2 PHE A 31 1.339 9.468 -7.840 1.00 0.00 C ATOM 480 CZ PHE A 31 2.450 10.124 -7.349 1.00 0.00 C ATOM 0 H PHE A 31 0.551 5.532 -3.118 1.00 0.00 H new ATOM 0 HA PHE A 31 1.008 8.289 -3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.113 6.229 -4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.448 6.876 -5.447 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.685 8.609 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.156 7.993 -7.463 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.802 10.326 -5.705 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.959 9.709 -8.822 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.941 10.878 -7.946 1.00 0.00 H new ATOM 490 N GLY A 32 -2.127 7.365 -3.143 1.00 0.00 N ATOM 491 CA GLY A 32 -3.483 7.852 -2.993 1.00 0.00 C ATOM 492 C GLY A 32 -3.582 8.892 -1.897 1.00 0.00 C ATOM 493 O GLY A 32 -4.131 9.982 -2.099 1.00 0.00 O ATOM 0 H GLY A 32 -2.019 6.359 -3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.822 8.282 -3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.147 7.018 -2.766 1.00 0.00 H new ATOM 497 N VAL A 33 -3.024 8.558 -0.737 1.00 0.00 N ATOM 498 CA VAL A 33 -3.019 9.434 0.391 1.00 0.00 C ATOM 499 C VAL A 33 -2.098 10.613 0.113 1.00 0.00 C ATOM 500 O VAL A 33 -2.531 11.750 0.079 1.00 0.00 O ATOM 501 CB VAL A 33 -2.560 8.628 1.623 1.00 0.00 C ATOM 502 CG1 VAL A 33 -1.429 9.298 2.366 1.00 0.00 C ATOM 503 CG2 VAL A 33 -3.732 8.359 2.530 1.00 0.00 C ATOM 0 H VAL A 33 -2.564 7.663 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.015 9.834 0.583 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.165 7.677 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.145 8.688 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.573 9.410 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.751 10.281 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.398 7.789 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.161 9.305 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.487 7.788 1.990 1.00 0.00 H new ATOM 513 N ALA A 34 -0.832 10.322 -0.116 1.00 0.00 N ATOM 514 CA ALA A 34 0.146 11.359 -0.419 1.00 0.00 C ATOM 515 C ALA A 34 -0.410 12.323 -1.464 1.00 0.00 C ATOM 516 O ALA A 34 -0.133 13.522 -1.431 1.00 0.00 O ATOM 517 CB ALA A 34 1.438 10.725 -0.913 1.00 0.00 C ATOM 0 H ALA A 34 -0.452 9.375 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 34 0.357 11.922 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.164 11.506 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.839 10.068 -0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.238 10.146 -1.815 1.00 0.00 H new ATOM 523 N ALA A 35 -1.214 11.788 -2.378 1.00 0.00 N ATOM 524 CA ALA A 35 -1.833 12.589 -3.425 1.00 0.00 C ATOM 525 C ALA A 35 -2.833 13.582 -2.839 1.00 0.00 C ATOM 526 O ALA A 35 -2.537 14.771 -2.707 1.00 0.00 O ATOM 527 CB ALA A 35 -2.515 11.690 -4.446 1.00 0.00 C ATOM 0 H ALA A 35 -1.452 10.797 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.048 13.156 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.973 12.303 -5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.777 11.026 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.284 11.096 -3.952 1.00 0.00 H new ATOM 533 N PHE A 36 -4.020 13.089 -2.486 1.00 0.00 N ATOM 534 CA PHE A 36 -5.061 13.944 -1.914 1.00 0.00 C ATOM 535 C PHE A 36 -4.559 14.628 -0.645 1.00 0.00 C ATOM 536 O PHE A 36 -4.754 15.827 -0.450 1.00 0.00 O ATOM 537 CB PHE A 36 -6.313 13.120 -1.604 1.00 0.00 C ATOM 538 CG PHE A 36 -7.455 13.940 -1.077 1.00 0.00 C ATOM 539 CD1 PHE A 36 -7.812 15.130 -1.692 1.00 0.00 C ATOM 540 CD2 PHE A 36 -8.174 13.521 0.030 1.00 0.00 C ATOM 541 CE1 PHE A 36 -8.862 15.887 -1.210 1.00 0.00 C ATOM 542 CE2 PHE A 36 -9.226 14.273 0.517 1.00 0.00 C ATOM 543 CZ PHE A 36 -9.571 15.458 -0.105 1.00 0.00 C ATOM 0 H PHE A 36 -4.284 12.109 -2.585 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.314 14.711 -2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.633 12.606 -2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.061 12.351 -0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.263 15.469 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.909 12.595 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.128 16.814 -1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.778 13.935 1.382 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.394 16.048 0.272 1.00 0.00 H new ATOM 553 N ALA A 37 -3.913 13.845 0.209 1.00 0.00 N ATOM 554 CA ALA A 37 -3.366 14.336 1.471 1.00 0.00 C ATOM 555 C ALA A 37 -2.511 15.584 1.264 1.00 0.00 C ATOM 556 O ALA A 37 -2.635 16.560 2.003 1.00 0.00 O ATOM 557 CB ALA A 37 -2.542 13.241 2.140 1.00 0.00 C ATOM 0 H ALA A 37 -3.752 12.851 0.048 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.201 14.609 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.137 13.614 3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.176 12.376 2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.723 12.949 1.483 1.00 0.00 H new ATOM 563 N HIS A 38 -1.642 15.549 0.257 1.00 0.00 N ATOM 564 CA HIS A 38 -0.773 16.683 -0.033 1.00 0.00 C ATOM 565 C HIS A 38 -1.571 17.850 -0.606 1.00 0.00 C ATOM 566 O HIS A 38 -1.346 19.006 -0.248 1.00 0.00 O ATOM 567 CB HIS A 38 0.328 16.277 -1.015 1.00 0.00 C ATOM 568 CG HIS A 38 1.428 15.480 -0.386 1.00 0.00 C ATOM 569 ND1 HIS A 38 2.612 15.189 -1.032 1.00 0.00 N ATOM 570 CD2 HIS A 38 1.521 14.910 0.839 1.00 0.00 C ATOM 571 CE1 HIS A 38 3.383 14.474 -0.233 1.00 0.00 C ATOM 572 NE2 HIS A 38 2.745 14.293 0.909 1.00 0.00 N ATOM 0 H HIS A 38 -1.522 14.752 -0.368 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.316 17.001 0.904 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.114 15.695 -1.824 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.752 17.175 -1.464 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.772 14.936 1.616 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.368 14.101 -0.473 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.104 13.778 1.713 1.00 0.00 H new ATOM 581 N LEU A 39 -2.494 17.541 -1.508 1.00 0.00 N ATOM 582 CA LEU A 39 -3.319 18.565 -2.142 1.00 0.00 C ATOM 583 C LEU A 39 -4.353 19.151 -1.181 1.00 0.00 C ATOM 584 O LEU A 39 -4.884 20.235 -1.424 1.00 0.00 O ATOM 585 CB LEU A 39 -4.024 17.985 -3.370 1.00 0.00 C ATOM 586 CG LEU A 39 -3.207 18.020 -4.662 1.00 0.00 C ATOM 587 CD1 LEU A 39 -2.206 16.876 -4.692 1.00 0.00 C ATOM 588 CD2 LEU A 39 -4.126 17.959 -5.874 1.00 0.00 C ATOM 0 H LEU A 39 -2.691 16.589 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.655 19.374 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.297 16.951 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.952 18.534 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.655 18.959 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.634 16.917 -5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.528 16.963 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.737 15.926 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.529 17.985 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.705 17.036 -5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.804 18.813 -5.860 1.00 0.00 H new ATOM 600 N LEU A 40 -4.654 18.434 -0.099 1.00 0.00 N ATOM 601 CA LEU A 40 -5.644 18.907 0.865 1.00 0.00 C ATOM 602 C LEU A 40 -4.997 19.650 2.033 1.00 0.00 C ATOM 603 O LEU A 40 -5.645 20.472 2.683 1.00 0.00 O ATOM 604 CB LEU A 40 -6.493 17.742 1.385 1.00 0.00 C ATOM 605 CG LEU A 40 -5.732 16.670 2.165 1.00 0.00 C ATOM 606 CD1 LEU A 40 -5.436 17.145 3.579 1.00 0.00 C ATOM 607 CD2 LEU A 40 -6.527 15.373 2.192 1.00 0.00 C ATOM 0 H LEU A 40 -4.232 17.534 0.130 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.290 19.612 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.277 18.145 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.986 17.268 0.537 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.783 16.485 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.894 16.368 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.829 18.050 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.372 17.358 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.973 14.618 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.490 15.546 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.688 15.024 1.172 1.00 0.00 H new ATOM 619 N VAL A 41 -3.726 19.367 2.302 1.00 0.00 N ATOM 620 CA VAL A 41 -3.026 20.032 3.399 1.00 0.00 C ATOM 621 C VAL A 41 -2.825 21.517 3.101 1.00 0.00 C ATOM 622 O VAL A 41 -2.644 22.321 4.015 1.00 0.00 O ATOM 623 CB VAL A 41 -1.659 19.382 3.689 1.00 0.00 C ATOM 624 CG1 VAL A 41 -1.834 18.076 4.449 1.00 0.00 C ATOM 625 CG2 VAL A 41 -0.890 19.159 2.398 1.00 0.00 C ATOM 0 H VAL A 41 -3.165 18.691 1.784 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.655 19.921 4.282 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.082 20.062 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.857 17.634 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.339 18.271 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.432 17.386 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.072 18.699 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.462 18.502 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.728 20.116 1.901 1.00 0.00 H new ATOM 635 N TRP A 42 -2.873 21.877 1.818 1.00 0.00 N ATOM 636 CA TRP A 42 -2.711 23.269 1.396 1.00 0.00 C ATOM 637 C TRP A 42 -1.258 23.740 1.529 1.00 0.00 C ATOM 638 O TRP A 42 -0.959 24.917 1.324 1.00 0.00 O ATOM 639 CB TRP A 42 -3.673 24.175 2.193 1.00 0.00 C ATOM 640 CG TRP A 42 -3.010 25.280 2.965 1.00 0.00 C ATOM 641 CD1 TRP A 42 -2.551 25.225 4.251 1.00 0.00 C ATOM 642 CD2 TRP A 42 -2.737 26.608 2.499 1.00 0.00 C ATOM 643 NE1 TRP A 42 -2.009 26.435 4.611 1.00 0.00 N ATOM 644 CE2 TRP A 42 -2.110 27.300 3.553 1.00 0.00 C ATOM 645 CE3 TRP A 42 -2.960 27.277 1.293 1.00 0.00 C ATOM 646 CZ2 TRP A 42 -1.706 28.627 3.436 1.00 0.00 C ATOM 647 CZ3 TRP A 42 -2.558 28.594 1.178 1.00 0.00 C ATOM 648 CH2 TRP A 42 -1.938 29.257 2.243 1.00 0.00 C ATOM 0 H TRP A 42 -3.023 21.222 1.051 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.964 23.336 0.338 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.391 24.615 1.501 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.240 23.555 2.888 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.606 24.357 4.891 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.598 26.654 5.519 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.438 26.774 0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.227 29.141 4.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.725 29.121 0.250 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.636 30.287 2.121 1.00 0.00 H new ATOM 659 N ILE A 43 -0.354 22.822 1.862 1.00 0.00 N ATOM 660 CA ILE A 43 1.057 23.166 2.010 1.00 0.00 C ATOM 661 C ILE A 43 1.939 22.300 1.113 1.00 0.00 C ATOM 662 O ILE A 43 2.925 22.779 0.552 1.00 0.00 O ATOM 663 CB ILE A 43 1.520 23.020 3.475 1.00 0.00 C ATOM 664 CG1 ILE A 43 2.969 23.486 3.627 1.00 0.00 C ATOM 665 CG2 ILE A 43 1.369 21.580 3.940 1.00 0.00 C ATOM 666 CD1 ILE A 43 3.135 24.987 3.528 1.00 0.00 C ATOM 0 H ILE A 43 -0.572 21.840 2.033 1.00 0.00 H new ATOM 0 HA ILE A 43 1.160 24.208 1.707 1.00 0.00 H new ATOM 0 HB ILE A 43 0.889 23.651 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.351 23.149 4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.578 23.010 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.700 21.495 4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.323 21.282 3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.976 20.929 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.188 25.245 3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.784 25.328 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.554 25.470 4.313 1.00 0.00 H new ATOM 678 N TRP A 44 1.575 21.024 0.983 1.00 0.00 N ATOM 679 CA TRP A 44 2.324 20.075 0.156 1.00 0.00 C ATOM 680 C TRP A 44 3.832 20.303 0.258 1.00 0.00 C ATOM 681 O TRP A 44 4.428 20.966 -0.590 1.00 0.00 O ATOM 682 CB TRP A 44 1.880 20.184 -1.304 1.00 0.00 C ATOM 683 CG TRP A 44 2.558 19.200 -2.209 1.00 0.00 C ATOM 684 CD1 TRP A 44 3.189 18.047 -1.841 1.00 0.00 C ATOM 685 CD2 TRP A 44 2.673 19.284 -3.634 1.00 0.00 C ATOM 686 NE1 TRP A 44 3.690 17.408 -2.950 1.00 0.00 N ATOM 687 CE2 TRP A 44 3.385 18.148 -4.063 1.00 0.00 C ATOM 688 CE3 TRP A 44 2.241 20.209 -4.589 1.00 0.00 C ATOM 689 CZ2 TRP A 44 3.675 17.914 -5.405 1.00 0.00 C ATOM 690 CZ3 TRP A 44 2.530 19.975 -5.920 1.00 0.00 C ATOM 691 CH2 TRP A 44 3.240 18.835 -6.317 1.00 0.00 C ATOM 0 H TRP A 44 0.759 20.621 1.444 1.00 0.00 H new ATOM 0 HA TRP A 44 2.111 19.073 0.529 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.802 20.034 -1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.081 21.194 -1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.281 17.689 -0.826 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.205 16.527 -2.946 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.692 21.090 -4.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.224 17.037 -5.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.203 20.683 -6.667 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.448 18.680 -7.365 1.00 0.00 H new ATOM 702 N ARG A 45 4.440 19.744 1.301 1.00 0.00 N ATOM 703 CA ARG A 45 5.877 19.878 1.519 1.00 0.00 C ATOM 704 C ARG A 45 6.302 19.182 2.811 1.00 0.00 C ATOM 705 O ARG A 45 7.234 18.378 2.812 1.00 0.00 O ATOM 706 CB ARG A 45 6.283 21.355 1.562 1.00 0.00 C ATOM 707 CG ARG A 45 7.592 21.647 0.845 1.00 0.00 C ATOM 708 CD ARG A 45 7.526 21.260 -0.625 1.00 0.00 C ATOM 709 NE ARG A 45 8.673 20.450 -1.029 1.00 0.00 N ATOM 710 CZ ARG A 45 9.926 20.899 -1.051 1.00 0.00 C ATOM 711 NH1 ARG A 45 10.198 22.148 -0.693 1.00 0.00 N ATOM 712 NH2 ARG A 45 10.910 20.096 -1.431 1.00 0.00 N ATOM 0 H ARG A 45 3.958 19.192 2.010 1.00 0.00 H new ATOM 0 HA ARG A 45 6.386 19.398 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.491 21.954 1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.370 21.669 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.826 22.708 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.402 21.101 1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.606 20.706 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.486 22.162 -1.236 1.00 0.00 H new ATOM 0 HE ARG A 45 8.504 19.484 -1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.445 22.770 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.160 22.486 -0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.707 19.135 -1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.870 20.439 -1.448 1.00 0.00 H new ATOM 726 N PRO A 46 5.623 19.479 3.935 1.00 0.00 N ATOM 727 CA PRO A 46 5.940 18.874 5.232 1.00 0.00 C ATOM 728 C PRO A 46 5.729 17.363 5.230 1.00 0.00 C ATOM 729 O PRO A 46 6.639 16.599 5.550 1.00 0.00 O ATOM 730 CB PRO A 46 4.961 19.547 6.205 1.00 0.00 C ATOM 731 CG PRO A 46 4.481 20.766 5.495 1.00 0.00 C ATOM 732 CD PRO A 46 4.498 20.423 4.035 1.00 0.00 C ATOM 0 HA PRO A 46 6.987 19.021 5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.132 18.883 6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.453 19.805 7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.477 21.038 5.821 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.126 21.619 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.560 19.970 3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.654 21.305 3.414 1.00 0.00 H new ATOM 740 N TRP A 47 4.521 16.941 4.866 1.00 0.00 N ATOM 741 CA TRP A 47 4.190 15.521 4.820 1.00 0.00 C ATOM 742 C TRP A 47 4.271 14.897 6.210 1.00 0.00 C ATOM 743 O TRP A 47 5.299 14.338 6.591 1.00 0.00 O ATOM 744 CB TRP A 47 5.128 14.785 3.862 1.00 0.00 C ATOM 745 CG TRP A 47 4.664 13.402 3.513 1.00 0.00 C ATOM 746 CD1 TRP A 47 3.708 12.670 4.157 1.00 0.00 C ATOM 747 CD2 TRP A 47 5.138 12.586 2.436 1.00 0.00 C ATOM 748 NE1 TRP A 47 3.558 11.448 3.546 1.00 0.00 N ATOM 749 CE2 TRP A 47 4.426 11.372 2.488 1.00 0.00 C ATOM 750 CE3 TRP A 47 6.097 12.762 1.434 1.00 0.00 C ATOM 751 CZ2 TRP A 47 4.641 10.343 1.575 1.00 0.00 C ATOM 752 CZ3 TRP A 47 6.309 11.739 0.528 1.00 0.00 C ATOM 753 CH2 TRP A 47 5.585 10.543 0.604 1.00 0.00 C ATOM 0 H TRP A 47 3.757 17.561 4.599 1.00 0.00 H new ATOM 0 HA TRP A 47 3.166 15.426 4.458 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.229 15.367 2.946 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.119 14.724 4.312 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.151 13.003 5.020 1.00 0.00 H new ATOM 0 HE1 TRP A 47 2.907 10.717 3.833 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.662 13.680 1.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.083 9.420 1.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 7.046 11.865 -0.252 1.00 0.00 H new ATOM 0 HH2 TRP A 47 5.775 9.763 -0.118 1.00 0.00 H new ATOM 764 N VAL A 48 3.181 14.996 6.963 1.00 0.00 N ATOM 765 CA VAL A 48 3.128 14.442 8.312 1.00 0.00 C ATOM 766 C VAL A 48 4.227 15.033 9.192 1.00 0.00 C ATOM 767 O VAL A 48 5.012 14.302 9.799 1.00 0.00 O ATOM 768 CB VAL A 48 3.264 12.906 8.291 1.00 0.00 C ATOM 769 CG1 VAL A 48 3.058 12.332 9.686 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.281 12.293 7.305 1.00 0.00 C ATOM 0 H VAL A 48 2.321 15.455 6.662 1.00 0.00 H new ATOM 0 HA VAL A 48 2.156 14.706 8.728 1.00 0.00 H new ATOM 0 HB VAL A 48 4.273 12.655 7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.158 11.247 9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.806 12.744 10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.062 12.594 10.044 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.393 11.209 7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.263 12.552 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.481 12.678 6.305 1.00 0.00 H new ATOM 780 N PRO A 49 4.299 16.373 9.276 1.00 0.00 N ATOM 781 CA PRO A 49 5.307 17.061 10.087 1.00 0.00 C ATOM 782 C PRO A 49 5.023 16.953 11.581 1.00 0.00 C ATOM 783 O PRO A 49 5.924 16.684 12.377 1.00 0.00 O ATOM 784 CB PRO A 49 5.198 18.514 9.625 1.00 0.00 C ATOM 785 CG PRO A 49 3.789 18.657 9.161 1.00 0.00 C ATOM 786 CD PRO A 49 3.402 17.321 8.585 1.00 0.00 C ATOM 0 HA PRO A 49 6.300 16.630 9.957 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.420 19.206 10.438 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.903 18.729 8.822 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.132 18.930 9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.703 19.444 8.412 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.353 17.091 8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.545 17.293 7.505 1.00 0.00 H new ATOM 794 N GLY A 50 3.766 17.166 11.957 1.00 0.00 N ATOM 795 CA GLY A 50 3.388 17.088 13.355 1.00 0.00 C ATOM 796 C GLY A 50 3.713 18.360 14.117 1.00 0.00 C ATOM 797 O GLY A 50 4.060 19.374 13.511 1.00 0.00 O ATOM 0 H GLY A 50 3.003 17.391 11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.319 16.887 13.428 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.903 16.248 13.821 1.00 0.00 H new ATOM 801 N PRO A 51 3.608 18.337 15.455 1.00 0.00 N ATOM 802 CA PRO A 51 3.898 19.507 16.290 1.00 0.00 C ATOM 803 C PRO A 51 5.387 19.836 16.331 1.00 0.00 C ATOM 804 O PRO A 51 6.111 19.370 17.210 1.00 0.00 O ATOM 805 CB PRO A 51 3.405 19.087 17.676 1.00 0.00 C ATOM 806 CG PRO A 51 3.493 17.600 17.672 1.00 0.00 C ATOM 807 CD PRO A 51 3.200 17.171 16.261 1.00 0.00 C ATOM 0 HA PRO A 51 3.418 20.408 15.908 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.022 19.518 18.464 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.383 19.423 17.852 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.483 17.267 17.983 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.777 17.165 18.369 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.762 16.278 15.988 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.144 16.938 16.123 1.00 0.00 H new ATOM 815 N ASN A 52 5.838 20.640 15.373 1.00 0.00 N ATOM 816 CA ASN A 52 7.241 21.029 15.300 1.00 0.00 C ATOM 817 C ASN A 52 7.473 22.017 14.161 1.00 0.00 C ATOM 818 O ASN A 52 7.733 21.619 13.025 1.00 0.00 O ATOM 819 CB ASN A 52 8.125 19.797 15.110 1.00 0.00 C ATOM 820 CG ASN A 52 9.544 20.023 15.592 1.00 0.00 C ATOM 821 OD1 ASN A 52 10.204 20.981 15.187 1.00 0.00 O ATOM 822 ND2 ASN A 52 10.023 19.141 16.461 1.00 0.00 N ATOM 0 H ASN A 52 5.252 21.034 14.637 1.00 0.00 H new ATOM 0 HA ASN A 52 7.506 21.515 16.239 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.691 18.955 15.649 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.142 19.525 14.055 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.972 19.242 16.820 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.442 18.362 16.770 1.00 0.00 H new ATOM 829 N GLY A 53 7.378 23.306 14.472 1.00 0.00 N ATOM 830 CA GLY A 53 7.582 24.329 13.464 1.00 0.00 C ATOM 831 C GLY A 53 6.605 24.210 12.310 1.00 0.00 C ATOM 832 O GLY A 53 5.665 23.415 12.362 1.00 0.00 O ATOM 0 H GLY A 53 7.163 23.660 15.404 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.479 25.312 13.923 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.601 24.260 13.082 1.00 0.00 H new ATOM 836 N TYR A 54 6.826 25.001 11.266 1.00 0.00 N ATOM 837 CA TYR A 54 5.958 24.981 10.094 1.00 0.00 C ATOM 838 C TYR A 54 6.681 25.539 8.872 1.00 0.00 C ATOM 839 O TYR A 54 6.060 26.131 7.989 1.00 0.00 O ATOM 840 CB TYR A 54 4.687 25.789 10.362 1.00 0.00 C ATOM 841 CG TYR A 54 4.942 27.260 10.605 1.00 0.00 C ATOM 842 CD1 TYR A 54 5.689 27.684 11.697 1.00 0.00 C ATOM 843 CD2 TYR A 54 4.437 28.224 9.742 1.00 0.00 C ATOM 844 CE1 TYR A 54 5.924 29.027 11.923 1.00 0.00 C ATOM 845 CE2 TYR A 54 4.668 29.568 9.960 1.00 0.00 C ATOM 846 CZ TYR A 54 5.411 29.964 11.051 1.00 0.00 C ATOM 847 OH TYR A 54 5.644 31.303 11.272 1.00 0.00 O ATOM 0 H TYR A 54 7.599 25.664 11.207 1.00 0.00 H new ATOM 0 HA TYR A 54 5.686 23.945 9.891 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.013 25.682 9.512 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.176 25.370 11.229 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.093 26.952 12.381 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.854 27.917 8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.506 29.341 12.777 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.268 30.305 9.279 1.00 0.00 H new ATOM 0 HH TYR A 54 5.215 31.831 10.566 1.00 0.00 H new ATOM 857 N SER A 55 7.995 25.347 8.828 1.00 0.00 N ATOM 858 CA SER A 55 8.801 25.831 7.714 1.00 0.00 C ATOM 859 C SER A 55 8.857 24.798 6.593 1.00 0.00 C ATOM 860 O SER A 55 9.042 23.602 6.900 1.00 0.00 O ATOM 861 CB SER A 55 10.217 26.163 8.188 1.00 0.00 C ATOM 862 OG SER A 55 10.247 27.401 8.879 1.00 0.00 O ATOM 863 OXT SER A 55 8.714 25.194 5.417 1.00 0.00 O ATOM 0 H SER A 55 8.524 24.860 9.551 1.00 0.00 H new ATOM 0 HA SER A 55 8.333 26.736 7.326 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.581 25.370 8.841 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.890 26.205 7.332 1.00 0.00 H new ATOM 0 HG SER A 55 11.163 27.589 9.173 1.00 0.00 H new TER 869 SER A 55