USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0 (180deg=-0.0593) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 141:sc= 0.857 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -91:sc= 0.349 USER MOD Single : A 36 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.022) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 61 TYR OH : rot 165:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 65 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.54) USER MOD Single : A 66 TYR OH : rot -19:sc= -0.0229 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.622 -0.158 -18.982 1.00 0.00 N ATOM 2 CA MET A 1 -2.172 -1.417 -19.471 1.00 0.00 C ATOM 3 C MET A 1 -1.161 -2.548 -19.316 1.00 0.00 C ATOM 4 O MET A 1 -0.953 -3.339 -20.237 1.00 0.00 O ATOM 5 CB MET A 1 -2.584 -1.283 -20.938 1.00 0.00 C ATOM 6 CG MET A 1 -1.434 -0.916 -21.861 1.00 0.00 C ATOM 7 SD MET A 1 -1.842 -1.140 -23.603 1.00 0.00 S ATOM 8 CE MET A 1 -1.441 0.478 -24.256 1.00 0.00 C ATOM 0 H1 MET A 1 -2.301 0.610 -19.159 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.442 -0.231 -17.960 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.731 0.047 -19.477 1.00 0.00 H new ATOM 0 HA MET A 1 -3.053 -1.656 -18.875 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.021 -2.224 -21.272 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.362 -0.524 -21.021 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.152 0.123 -21.689 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.566 -1.527 -21.614 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.641 0.498 -25.327 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.051 1.232 -23.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.387 0.690 -24.080 1.00 0.00 H new ATOM 18 N VAL A 2 -0.533 -2.620 -18.146 1.00 0.00 N ATOM 19 CA VAL A 2 0.456 -3.655 -17.871 1.00 0.00 C ATOM 20 C VAL A 2 0.176 -4.343 -16.540 1.00 0.00 C ATOM 21 O VAL A 2 -0.567 -3.825 -15.706 1.00 0.00 O ATOM 22 CB VAL A 2 1.883 -3.075 -17.847 1.00 0.00 C ATOM 23 CG1 VAL A 2 2.265 -2.538 -19.218 1.00 0.00 C ATOM 24 CG2 VAL A 2 1.998 -1.989 -16.789 1.00 0.00 C ATOM 0 H VAL A 2 -0.692 -1.973 -17.373 1.00 0.00 H new ATOM 0 HA VAL A 2 0.382 -4.386 -18.676 1.00 0.00 H new ATOM 0 HB VAL A 2 2.577 -3.875 -17.591 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.276 -2.133 -19.181 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.224 -3.345 -19.949 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.569 -1.751 -19.507 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.012 -1.590 -16.786 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.294 -1.188 -17.012 1.00 0.00 H new ATOM 0 HG23 VAL A 2 1.770 -2.410 -15.810 1.00 0.00 H new ATOM 34 N SER A 3 0.776 -5.513 -16.347 1.00 0.00 N ATOM 35 CA SER A 3 0.589 -6.275 -15.118 1.00 0.00 C ATOM 36 C SER A 3 1.881 -6.325 -14.308 1.00 0.00 C ATOM 37 O SER A 3 2.188 -7.333 -13.671 1.00 0.00 O ATOM 38 CB SER A 3 0.119 -7.695 -15.440 1.00 0.00 C ATOM 39 OG SER A 3 0.988 -8.322 -16.367 1.00 0.00 O ATOM 0 H SER A 3 1.396 -5.954 -17.026 1.00 0.00 H new ATOM 0 HA SER A 3 -0.174 -5.775 -14.521 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.074 -8.283 -14.523 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.891 -7.663 -15.848 1.00 0.00 H new ATOM 0 HG SER A 3 0.667 -9.229 -16.555 1.00 0.00 H new ATOM 45 N ARG A 4 2.633 -5.231 -14.338 1.00 0.00 N ATOM 46 CA ARG A 4 3.893 -5.149 -13.608 1.00 0.00 C ATOM 47 C ARG A 4 3.664 -5.316 -12.109 1.00 0.00 C ATOM 48 O ARG A 4 4.508 -5.864 -11.399 1.00 0.00 O ATOM 49 CB ARG A 4 4.581 -3.811 -13.884 1.00 0.00 C ATOM 50 CG ARG A 4 5.373 -3.790 -15.181 1.00 0.00 C ATOM 51 CD ARG A 4 6.028 -2.437 -15.412 1.00 0.00 C ATOM 52 NE ARG A 4 7.227 -2.543 -16.238 1.00 0.00 N ATOM 53 CZ ARG A 4 7.202 -2.797 -17.542 1.00 0.00 C ATOM 54 NH1 ARG A 4 6.045 -2.969 -18.165 1.00 0.00 N ATOM 55 NH2 ARG A 4 8.337 -2.878 -18.225 1.00 0.00 N ATOM 0 H ARG A 4 2.392 -4.388 -14.860 1.00 0.00 H new ATOM 0 HA ARG A 4 4.537 -5.958 -13.952 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.827 -3.024 -13.916 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.250 -3.578 -13.056 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.138 -4.566 -15.154 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.712 -4.023 -16.016 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.315 -1.767 -15.892 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.288 -1.991 -14.452 1.00 0.00 H new ATOM 0 HE ARG A 4 8.134 -2.415 -15.789 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.171 -2.906 -17.643 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.029 -3.164 -19.166 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.229 -2.745 -17.749 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.317 -3.073 -19.226 1.00 0.00 H new ATOM 69 N ASP A 5 2.519 -4.839 -11.634 1.00 0.00 N ATOM 70 CA ASP A 5 2.178 -4.935 -10.219 1.00 0.00 C ATOM 71 C ASP A 5 1.922 -6.385 -9.819 1.00 0.00 C ATOM 72 O ASP A 5 0.939 -6.991 -10.244 1.00 0.00 O ATOM 73 CB ASP A 5 0.947 -4.083 -9.910 1.00 0.00 C ATOM 74 CG ASP A 5 1.192 -2.605 -10.144 1.00 0.00 C ATOM 75 OD1 ASP A 5 1.873 -1.976 -9.306 1.00 0.00 O ATOM 76 OD2 ASP A 5 0.704 -2.078 -11.165 1.00 0.00 O ATOM 0 H ASP A 5 1.811 -4.382 -12.208 1.00 0.00 H new ATOM 0 HA ASP A 5 3.023 -4.561 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.115 -4.413 -10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.652 -4.240 -8.873 1.00 0.00 H new ATOM 81 N GLN A 6 2.814 -6.934 -9.001 1.00 0.00 N ATOM 82 CA GLN A 6 2.685 -8.313 -8.546 1.00 0.00 C ATOM 83 C GLN A 6 1.988 -8.376 -7.191 1.00 0.00 C ATOM 84 O GLN A 6 2.537 -8.904 -6.224 1.00 0.00 O ATOM 85 CB GLN A 6 4.062 -8.974 -8.456 1.00 0.00 C ATOM 86 CG GLN A 6 5.054 -8.199 -7.604 1.00 0.00 C ATOM 87 CD GLN A 6 6.168 -9.075 -7.065 1.00 0.00 C ATOM 88 OE1 GLN A 6 6.525 -10.087 -7.668 1.00 0.00 O ATOM 89 NE2 GLN A 6 6.725 -8.688 -5.923 1.00 0.00 N ATOM 0 H GLN A 6 3.633 -6.445 -8.640 1.00 0.00 H new ATOM 0 HA GLN A 6 2.078 -8.853 -9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.948 -9.977 -8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 6 4.469 -9.086 -9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.485 -7.393 -8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.527 -7.734 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.398 -7.842 -5.457 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.480 -9.237 -5.512 1.00 0.00 H new ATOM 98 N ALA A 7 0.777 -7.835 -7.128 1.00 0.00 N ATOM 99 CA ALA A 7 0.004 -7.831 -5.892 1.00 0.00 C ATOM 100 C ALA A 7 -0.678 -9.176 -5.666 1.00 0.00 C ATOM 101 O ALA A 7 -1.009 -9.534 -4.535 1.00 0.00 O ATOM 102 CB ALA A 7 -1.026 -6.712 -5.916 1.00 0.00 C ATOM 0 H ALA A 7 0.309 -7.393 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 7 0.692 -7.658 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.595 -6.722 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.519 -5.753 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.703 -6.858 -6.758 1.00 0.00 H new ATOM 108 N HIS A 8 -0.886 -9.917 -6.750 1.00 0.00 N ATOM 109 CA HIS A 8 -1.529 -11.224 -6.670 1.00 0.00 C ATOM 110 C HIS A 8 -0.598 -12.250 -6.032 1.00 0.00 C ATOM 111 O HIS A 8 0.045 -13.037 -6.728 1.00 0.00 O ATOM 112 CB HIS A 8 -1.949 -11.695 -8.062 1.00 0.00 C ATOM 113 CG HIS A 8 -2.923 -12.833 -8.041 1.00 0.00 C ATOM 114 ND1 HIS A 8 -4.153 -12.760 -7.422 1.00 0.00 N ATOM 115 CD2 HIS A 8 -2.843 -14.077 -8.570 1.00 0.00 C ATOM 116 CE1 HIS A 8 -4.786 -13.910 -7.569 1.00 0.00 C ATOM 117 NE2 HIS A 8 -4.013 -14.726 -8.262 1.00 0.00 N ATOM 0 H HIS A 8 -0.619 -9.635 -7.693 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.416 -11.127 -6.044 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.392 -10.858 -8.601 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.061 -11.998 -8.617 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.013 -14.483 -9.130 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.769 -14.143 -7.187 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.247 -15.683 -8.526 1.00 0.00 H new ATOM 125 N LEU A 9 -0.529 -12.236 -4.705 1.00 0.00 N ATOM 126 CA LEU A 9 0.325 -13.164 -3.973 1.00 0.00 C ATOM 127 C LEU A 9 0.141 -13.002 -2.468 1.00 0.00 C ATOM 128 O LEU A 9 -0.532 -12.079 -2.010 1.00 0.00 O ATOM 129 CB LEU A 9 1.792 -12.942 -4.346 1.00 0.00 C ATOM 130 CG LEU A 9 2.192 -11.501 -4.664 1.00 0.00 C ATOM 131 CD1 LEU A 9 1.940 -10.600 -3.465 1.00 0.00 C ATOM 132 CD2 LEU A 9 3.653 -11.434 -5.086 1.00 0.00 C ATOM 0 H LEU A 9 -1.055 -11.592 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 9 0.036 -14.178 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.413 -13.297 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.024 -13.562 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 9 1.578 -11.148 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.231 -9.578 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.881 -10.624 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.527 -10.951 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.920 -10.401 -5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.283 -11.806 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.804 -12.047 -5.974 1.00 0.00 H new ATOM 144 N GLY A 10 0.746 -13.905 -1.702 1.00 0.00 N ATOM 145 CA GLY A 10 0.638 -13.843 -0.256 1.00 0.00 C ATOM 146 C GLY A 10 0.966 -12.468 0.291 1.00 0.00 C ATOM 147 O GLY A 10 2.118 -12.034 0.291 1.00 0.00 O ATOM 0 H GLY A 10 1.309 -14.678 -2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.374 -14.117 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.311 -14.577 0.187 1.00 0.00 H new ATOM 151 N PRO A 11 -0.065 -11.757 0.771 1.00 0.00 N ATOM 152 CA PRO A 11 0.094 -10.412 1.332 1.00 0.00 C ATOM 153 C PRO A 11 0.833 -10.423 2.665 1.00 0.00 C ATOM 154 O PRO A 11 1.373 -11.449 3.079 1.00 0.00 O ATOM 155 CB PRO A 11 -1.348 -9.935 1.524 1.00 0.00 C ATOM 156 CG PRO A 11 -2.145 -11.185 1.668 1.00 0.00 C ATOM 157 CD PRO A 11 -1.466 -12.211 0.803 1.00 0.00 C ATOM 0 HA PRO A 11 0.688 -9.768 0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.441 -9.302 2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.687 -9.346 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.176 -11.510 2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.176 -11.029 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.554 -13.213 1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.900 -12.245 -0.196 1.00 0.00 H new ATOM 165 N LYS A 12 0.853 -9.276 3.335 1.00 0.00 N ATOM 166 CA LYS A 12 1.525 -9.153 4.623 1.00 0.00 C ATOM 167 C LYS A 12 0.658 -9.716 5.745 1.00 0.00 C ATOM 168 O LYS A 12 -0.540 -9.936 5.565 1.00 0.00 O ATOM 169 CB LYS A 12 1.860 -7.687 4.910 1.00 0.00 C ATOM 170 CG LYS A 12 3.254 -7.481 5.476 1.00 0.00 C ATOM 171 CD LYS A 12 4.326 -7.915 4.490 1.00 0.00 C ATOM 172 CE LYS A 12 5.714 -7.512 4.963 1.00 0.00 C ATOM 173 NZ LYS A 12 6.074 -6.137 4.517 1.00 0.00 N ATOM 0 H LYS A 12 0.411 -8.417 3.007 1.00 0.00 H new ATOM 0 HA LYS A 12 2.450 -9.728 4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.763 -7.114 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.129 -7.287 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.394 -6.430 5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.359 -8.047 6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.285 -8.996 4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.128 -7.468 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.756 -7.564 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.448 -8.222 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.027 -5.899 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.058 -6.094 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.388 -5.456 4.902 1.00 0.00 H new ATOM 187 N TYR A 13 1.270 -9.945 6.901 1.00 0.00 N ATOM 188 CA TYR A 13 0.553 -10.483 8.051 1.00 0.00 C ATOM 189 C TYR A 13 0.576 -9.499 9.217 1.00 0.00 C ATOM 190 O TYR A 13 1.612 -8.912 9.529 1.00 0.00 O ATOM 191 CB TYR A 13 1.167 -11.816 8.483 1.00 0.00 C ATOM 192 CG TYR A 13 0.785 -12.976 7.592 1.00 0.00 C ATOM 193 CD1 TYR A 13 1.472 -13.225 6.410 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.264 -13.822 7.930 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.126 -14.283 5.592 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.616 -14.883 7.119 1.00 0.00 C ATOM 197 CZ TYR A 13 0.082 -15.110 5.951 1.00 0.00 C ATOM 198 OH TYR A 13 -0.267 -16.165 5.139 1.00 0.00 O ATOM 0 H TYR A 13 2.260 -9.767 7.067 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.484 -10.646 7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.253 -11.720 8.494 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.856 -12.036 9.504 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.291 -12.580 6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.814 -13.647 8.843 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.670 -14.462 4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.433 -15.532 7.398 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.021 -16.648 5.537 1.00 0.00 H new ATOM 208 N VAL A 14 -0.576 -9.324 9.857 1.00 0.00 N ATOM 209 CA VAL A 14 -0.689 -8.412 10.990 1.00 0.00 C ATOM 210 C VAL A 14 -1.528 -9.024 12.106 1.00 0.00 C ATOM 211 O VAL A 14 -2.532 -9.687 11.850 1.00 0.00 O ATOM 212 CB VAL A 14 -1.317 -7.070 10.569 1.00 0.00 C ATOM 213 CG1 VAL A 14 -1.659 -6.233 11.792 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.380 -6.312 9.640 1.00 0.00 C ATOM 0 H VAL A 14 -1.443 -9.801 9.611 1.00 0.00 H new ATOM 0 HA VAL A 14 0.322 -8.234 11.355 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.241 -7.275 10.029 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.102 -5.289 11.475 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.369 -6.775 12.417 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.752 -6.035 12.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.839 -5.366 9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.562 -6.117 10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.190 -6.909 8.748 1.00 0.00 H new ATOM 224 N GLY A 15 -1.108 -8.797 13.347 1.00 0.00 N ATOM 225 CA GLY A 15 -1.832 -9.333 14.485 1.00 0.00 C ATOM 226 C GLY A 15 -0.909 -9.763 15.608 1.00 0.00 C ATOM 227 O GLY A 15 -0.516 -10.928 15.687 1.00 0.00 O ATOM 0 H GLY A 15 -0.279 -8.252 13.585 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.526 -8.580 14.858 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.429 -10.186 14.163 1.00 0.00 H new ATOM 231 N LEU A 16 -0.561 -8.822 16.479 1.00 0.00 N ATOM 232 CA LEU A 16 0.323 -9.110 17.604 1.00 0.00 C ATOM 233 C LEU A 16 -0.401 -8.906 18.931 1.00 0.00 C ATOM 234 O LEU A 16 0.040 -9.396 19.971 1.00 0.00 O ATOM 235 CB LEU A 16 1.563 -8.217 17.544 1.00 0.00 C ATOM 236 CG LEU A 16 2.790 -8.818 16.856 1.00 0.00 C ATOM 237 CD1 LEU A 16 3.277 -10.046 17.610 1.00 0.00 C ATOM 238 CD2 LEU A 16 2.472 -9.168 15.410 1.00 0.00 C ATOM 0 H LEU A 16 -0.877 -7.854 16.428 1.00 0.00 H new ATOM 0 HA LEU A 16 0.630 -10.154 17.536 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.297 -7.294 17.028 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.839 -7.944 18.562 1.00 0.00 H new ATOM 0 HG LEU A 16 3.587 -8.075 16.862 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.150 -10.460 17.106 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.545 -9.765 18.628 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.485 -10.794 17.637 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.356 -9.594 14.936 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.659 -9.894 15.382 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.172 -8.267 14.875 1.00 0.00 H new ATOM 250 N TRP A 17 -1.514 -8.183 18.887 1.00 0.00 N ATOM 251 CA TRP A 17 -2.300 -7.916 20.086 1.00 0.00 C ATOM 252 C TRP A 17 -1.500 -7.093 21.089 1.00 0.00 C ATOM 253 O TRP A 17 -1.664 -7.242 22.300 1.00 0.00 O ATOM 254 CB TRP A 17 -2.749 -9.230 20.729 1.00 0.00 C ATOM 255 CG TRP A 17 -4.023 -9.105 21.508 1.00 0.00 C ATOM 256 CD1 TRP A 17 -4.148 -8.767 22.825 1.00 0.00 C ATOM 257 CD2 TRP A 17 -5.351 -9.318 21.018 1.00 0.00 C ATOM 258 NE1 TRP A 17 -5.475 -8.757 23.184 1.00 0.00 N ATOM 259 CE2 TRP A 17 -6.233 -9.091 22.093 1.00 0.00 C ATOM 260 CE3 TRP A 17 -5.882 -9.676 19.776 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -7.614 -9.212 21.961 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -7.253 -9.796 19.647 1.00 0.00 C ATOM 263 CH2 TRP A 17 -8.106 -9.564 20.734 1.00 0.00 C ATOM 0 H TRP A 17 -1.893 -7.771 18.034 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.180 -7.343 19.794 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.880 -9.981 19.950 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -1.961 -9.591 21.390 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.325 -8.541 23.487 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.836 -8.537 24.112 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.233 -9.856 18.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.273 -9.034 22.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.674 -10.073 18.692 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.173 -9.665 20.601 1.00 0.00 H new ATOM 274 N ASP A 18 -0.635 -6.223 20.579 1.00 0.00 N ATOM 275 CA ASP A 18 0.189 -5.374 21.431 1.00 0.00 C ATOM 276 C ASP A 18 0.930 -6.207 22.473 1.00 0.00 C ATOM 277 O ASP A 18 1.213 -5.734 23.574 1.00 0.00 O ATOM 278 CB ASP A 18 -0.674 -4.318 22.123 1.00 0.00 C ATOM 279 CG ASP A 18 -0.055 -2.936 22.065 1.00 0.00 C ATOM 280 OD1 ASP A 18 0.758 -2.612 22.956 1.00 0.00 O ATOM 281 OD2 ASP A 18 -0.383 -2.177 21.129 1.00 0.00 O ATOM 0 H ASP A 18 -0.486 -6.087 19.579 1.00 0.00 H new ATOM 0 HA ASP A 18 0.925 -4.874 20.801 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.658 -4.292 21.654 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.825 -4.602 23.164 1.00 0.00 H new ATOM 286 N PHE A 19 1.241 -7.449 22.119 1.00 0.00 N ATOM 287 CA PHE A 19 1.947 -8.348 23.024 1.00 0.00 C ATOM 288 C PHE A 19 3.438 -8.384 22.702 1.00 0.00 C ATOM 289 O PHE A 19 3.838 -8.742 21.594 1.00 0.00 O ATOM 290 CB PHE A 19 1.361 -9.759 22.935 1.00 0.00 C ATOM 291 CG PHE A 19 1.505 -10.549 24.204 1.00 0.00 C ATOM 292 CD1 PHE A 19 0.633 -10.350 25.263 1.00 0.00 C ATOM 293 CD2 PHE A 19 2.512 -11.491 24.339 1.00 0.00 C ATOM 294 CE1 PHE A 19 0.763 -11.075 26.432 1.00 0.00 C ATOM 295 CE2 PHE A 19 2.646 -12.220 25.506 1.00 0.00 C ATOM 296 CZ PHE A 19 1.771 -12.011 26.554 1.00 0.00 C ATOM 0 H PHE A 19 1.015 -7.856 21.211 1.00 0.00 H new ATOM 0 HA PHE A 19 1.821 -7.973 24.040 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.304 -9.689 22.678 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.852 -10.297 22.124 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.157 -9.620 25.173 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.200 -11.658 23.523 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.077 -10.910 27.250 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.434 -12.952 25.598 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.875 -12.578 27.467 1.00 0.00 H new ATOM 306 N LYS A 20 4.257 -8.009 23.679 1.00 0.00 N ATOM 307 CA LYS A 20 5.704 -7.997 23.502 1.00 0.00 C ATOM 308 C LYS A 20 6.387 -8.867 24.553 1.00 0.00 C ATOM 309 O LYS A 20 6.209 -8.661 25.754 1.00 0.00 O ATOM 310 CB LYS A 20 6.237 -6.565 23.585 1.00 0.00 C ATOM 311 CG LYS A 20 5.976 -5.746 22.333 1.00 0.00 C ATOM 312 CD LYS A 20 5.400 -4.380 22.671 1.00 0.00 C ATOM 313 CE LYS A 20 6.480 -3.309 22.685 1.00 0.00 C ATOM 314 NZ LYS A 20 7.404 -3.468 23.842 1.00 0.00 N ATOM 0 H LYS A 20 3.943 -7.709 24.602 1.00 0.00 H new ATOM 0 HA LYS A 20 5.928 -8.405 22.516 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.779 -6.065 24.438 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.310 -6.596 23.772 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.906 -5.623 21.777 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.285 -6.283 21.683 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.634 -4.116 21.942 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.913 -4.420 23.645 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.049 -3.355 21.757 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.014 -2.324 22.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.125 -2.719 23.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.865 -3.399 24.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.868 -4.397 23.791 1.00 0.00 H new ATOM 328 N SER A 21 7.171 -9.837 24.093 1.00 0.00 N ATOM 329 CA SER A 21 7.879 -10.739 24.994 1.00 0.00 C ATOM 330 C SER A 21 9.367 -10.405 25.038 1.00 0.00 C ATOM 331 O SER A 21 9.808 -9.410 24.463 1.00 0.00 O ATOM 332 CB SER A 21 7.683 -12.191 24.553 1.00 0.00 C ATOM 333 OG SER A 21 7.543 -13.050 25.672 1.00 0.00 O ATOM 0 H SER A 21 7.332 -10.018 23.102 1.00 0.00 H new ATOM 0 HA SER A 21 7.466 -10.612 25.995 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.799 -12.266 23.920 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.534 -12.509 23.951 1.00 0.00 H new ATOM 0 HG SER A 21 6.858 -13.725 25.483 1.00 0.00 H new ATOM 339 N ARG A 22 10.135 -11.244 25.726 1.00 0.00 N ATOM 340 CA ARG A 22 11.573 -11.038 25.847 1.00 0.00 C ATOM 341 C ARG A 22 12.340 -12.277 25.393 1.00 0.00 C ATOM 342 O ARG A 22 13.442 -12.548 25.871 1.00 0.00 O ATOM 343 CB ARG A 22 11.941 -10.698 27.292 1.00 0.00 C ATOM 344 CG ARG A 22 11.053 -9.632 27.912 1.00 0.00 C ATOM 345 CD ARG A 22 9.879 -10.248 28.657 1.00 0.00 C ATOM 346 NE ARG A 22 8.704 -9.381 28.640 1.00 0.00 N ATOM 347 CZ ARG A 22 7.601 -9.625 29.339 1.00 0.00 C ATOM 348 NH1 ARG A 22 7.522 -10.703 30.106 1.00 0.00 N ATOM 349 NH2 ARG A 22 6.573 -8.788 29.271 1.00 0.00 N ATOM 0 H ARG A 22 9.785 -12.072 26.208 1.00 0.00 H new ATOM 0 HA ARG A 22 11.851 -10.204 25.203 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.882 -11.604 27.896 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.977 -10.360 27.324 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.640 -9.022 28.598 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.682 -8.967 27.132 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.627 -11.208 28.207 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.168 -10.446 29.689 1.00 0.00 H new ATOM 0 HE ARG A 22 8.732 -8.542 28.060 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.310 -11.349 30.161 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.673 -10.887 30.641 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.630 -7.957 28.682 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.726 -8.976 29.808 1.00 0.00 H new ATOM 363 N THR A 23 11.749 -13.027 24.468 1.00 0.00 N ATOM 364 CA THR A 23 12.375 -14.237 23.951 1.00 0.00 C ATOM 365 C THR A 23 12.186 -14.353 22.443 1.00 0.00 C ATOM 366 O THR A 23 11.205 -13.854 21.891 1.00 0.00 O ATOM 367 CB THR A 23 11.802 -15.498 24.627 1.00 0.00 C ATOM 368 OG1 THR A 23 10.398 -15.336 24.855 1.00 0.00 O ATOM 369 CG2 THR A 23 12.507 -15.772 25.946 1.00 0.00 C ATOM 0 H THR A 23 10.837 -12.817 24.062 1.00 0.00 H new ATOM 0 HA THR A 23 13.439 -14.164 24.176 1.00 0.00 H new ATOM 0 HB THR A 23 11.966 -16.346 23.963 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.041 -16.142 25.283 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.086 -16.667 26.405 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.571 -15.924 25.765 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.370 -14.922 26.615 1.00 0.00 H new ATOM 377 N ASP A 24 13.131 -15.013 21.783 1.00 0.00 N ATOM 378 CA ASP A 24 13.067 -15.196 20.337 1.00 0.00 C ATOM 379 C ASP A 24 11.819 -15.978 19.942 1.00 0.00 C ATOM 380 O ASP A 24 11.324 -15.851 18.823 1.00 0.00 O ATOM 381 CB ASP A 24 14.318 -15.921 19.838 1.00 0.00 C ATOM 382 CG ASP A 24 15.588 -15.389 20.472 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.824 -15.681 21.662 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.345 -14.679 19.777 1.00 0.00 O ATOM 0 H ASP A 24 13.950 -15.430 22.225 1.00 0.00 H new ATOM 0 HA ASP A 24 13.018 -14.211 19.873 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.227 -16.986 20.053 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.386 -15.819 18.755 1.00 0.00 H new ATOM 389 N GLU A 25 11.315 -16.787 20.869 1.00 0.00 N ATOM 390 CA GLU A 25 10.125 -17.591 20.616 1.00 0.00 C ATOM 391 C GLU A 25 8.926 -16.703 20.300 1.00 0.00 C ATOM 392 O GLU A 25 7.940 -17.157 19.721 1.00 0.00 O ATOM 393 CB GLU A 25 9.814 -18.476 21.825 1.00 0.00 C ATOM 394 CG GLU A 25 10.969 -19.374 22.236 1.00 0.00 C ATOM 395 CD GLU A 25 10.521 -20.554 23.075 1.00 0.00 C ATOM 396 OE1 GLU A 25 9.653 -20.364 23.952 1.00 0.00 O ATOM 397 OE2 GLU A 25 11.039 -21.669 22.854 1.00 0.00 O ATOM 0 H GLU A 25 11.712 -16.903 21.801 1.00 0.00 H new ATOM 0 HA GLU A 25 10.323 -18.225 19.752 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.540 -17.842 22.668 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.946 -19.095 21.597 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.475 -19.740 21.343 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.697 -18.789 22.798 1.00 0.00 H new ATOM 404 N GLU A 26 9.018 -15.434 20.686 1.00 0.00 N ATOM 405 CA GLU A 26 7.940 -14.482 20.445 1.00 0.00 C ATOM 406 C GLU A 26 8.485 -13.173 19.882 1.00 0.00 C ATOM 407 O GLU A 26 9.661 -12.849 20.059 1.00 0.00 O ATOM 408 CB GLU A 26 7.169 -14.212 21.739 1.00 0.00 C ATOM 409 CG GLU A 26 6.639 -15.470 22.406 1.00 0.00 C ATOM 410 CD GLU A 26 5.443 -15.199 23.296 1.00 0.00 C ATOM 411 OE1 GLU A 26 5.595 -14.451 24.284 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.353 -15.735 23.005 1.00 0.00 O ATOM 0 H GLU A 26 9.828 -15.042 21.167 1.00 0.00 H new ATOM 0 HA GLU A 26 7.262 -14.918 19.711 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.821 -13.688 22.438 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.333 -13.547 21.522 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.360 -16.193 21.640 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.433 -15.924 22.999 1.00 0.00 H new ATOM 419 N LEU A 27 7.624 -12.423 19.203 1.00 0.00 N ATOM 420 CA LEU A 27 8.018 -11.149 18.613 1.00 0.00 C ATOM 421 C LEU A 27 7.785 -10.001 19.590 1.00 0.00 C ATOM 422 O LEU A 27 6.677 -9.818 20.095 1.00 0.00 O ATOM 423 CB LEU A 27 7.239 -10.900 17.320 1.00 0.00 C ATOM 424 CG LEU A 27 7.748 -11.631 16.078 1.00 0.00 C ATOM 425 CD1 LEU A 27 9.198 -11.266 15.801 1.00 0.00 C ATOM 426 CD2 LEU A 27 7.598 -13.136 16.246 1.00 0.00 C ATOM 0 H LEU A 27 6.648 -12.676 19.047 1.00 0.00 H new ATOM 0 HA LEU A 27 9.083 -11.197 18.385 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.200 -11.186 17.485 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.247 -9.829 17.115 1.00 0.00 H new ATOM 0 HG LEU A 27 7.147 -11.319 15.224 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.543 -11.796 14.913 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.278 -10.191 15.636 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.814 -11.549 16.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.965 -13.640 15.352 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.174 -13.465 17.111 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.547 -13.382 16.395 1.00 0.00 H new ATOM 438 N SER A 28 8.835 -9.229 19.850 1.00 0.00 N ATOM 439 CA SER A 28 8.745 -8.100 20.768 1.00 0.00 C ATOM 440 C SER A 28 8.258 -6.848 20.043 1.00 0.00 C ATOM 441 O SER A 28 9.022 -5.908 19.822 1.00 0.00 O ATOM 442 CB SER A 28 10.105 -7.831 21.415 1.00 0.00 C ATOM 443 OG SER A 28 10.807 -9.040 21.647 1.00 0.00 O ATOM 0 H SER A 28 9.758 -9.365 19.438 1.00 0.00 H new ATOM 0 HA SER A 28 8.024 -8.353 21.546 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.696 -7.182 20.770 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.965 -7.302 22.357 1.00 0.00 H new ATOM 0 HG SER A 28 10.594 -9.375 22.543 1.00 0.00 H new ATOM 449 N PHE A 29 6.981 -6.844 19.676 1.00 0.00 N ATOM 450 CA PHE A 29 6.391 -5.710 18.975 1.00 0.00 C ATOM 451 C PHE A 29 4.871 -5.719 19.108 1.00 0.00 C ATOM 452 O PHE A 29 4.274 -6.737 19.460 1.00 0.00 O ATOM 453 CB PHE A 29 6.785 -5.735 17.497 1.00 0.00 C ATOM 454 CG PHE A 29 7.470 -4.480 17.037 1.00 0.00 C ATOM 455 CD1 PHE A 29 8.833 -4.312 17.221 1.00 0.00 C ATOM 456 CD2 PHE A 29 6.751 -3.469 16.420 1.00 0.00 C ATOM 457 CE1 PHE A 29 9.466 -3.158 16.800 1.00 0.00 C ATOM 458 CE2 PHE A 29 7.379 -2.313 15.996 1.00 0.00 C ATOM 459 CZ PHE A 29 8.738 -2.157 16.186 1.00 0.00 C ATOM 0 H PHE A 29 6.335 -7.613 19.852 1.00 0.00 H new ATOM 0 HA PHE A 29 6.773 -4.796 19.430 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.444 -6.585 17.319 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.891 -5.893 16.894 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.407 -5.092 17.699 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.688 -3.586 16.269 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.529 -3.039 16.951 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.807 -1.532 15.516 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.231 -1.255 15.855 1.00 0.00 H new ATOM 469 N ARG A 30 4.251 -4.578 18.825 1.00 0.00 N ATOM 470 CA ARG A 30 2.801 -4.454 18.914 1.00 0.00 C ATOM 471 C ARG A 30 2.156 -4.610 17.540 1.00 0.00 C ATOM 472 O ARG A 30 2.841 -4.600 16.518 1.00 0.00 O ATOM 473 CB ARG A 30 2.420 -3.100 19.517 1.00 0.00 C ATOM 474 CG ARG A 30 2.645 -1.929 18.575 1.00 0.00 C ATOM 475 CD ARG A 30 2.170 -0.621 19.189 1.00 0.00 C ATOM 476 NE ARG A 30 0.715 -0.497 19.153 1.00 0.00 N ATOM 477 CZ ARG A 30 0.030 -0.197 18.055 1.00 0.00 C ATOM 478 NH1 ARG A 30 0.665 0.008 16.909 1.00 0.00 N ATOM 479 NH2 ARG A 30 -1.292 -0.102 18.102 1.00 0.00 N ATOM 0 H ARG A 30 4.730 -3.726 18.532 1.00 0.00 H new ATOM 0 HA ARG A 30 2.433 -5.250 19.561 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.370 -3.124 19.809 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.000 -2.941 20.426 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.705 -1.854 18.332 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.115 -2.106 17.639 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.514 -0.559 20.221 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.619 0.215 18.653 1.00 0.00 H new ATOM 0 HE ARG A 30 0.197 -0.649 20.018 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.682 -0.065 16.869 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.137 0.238 16.067 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.784 -0.259 18.982 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.817 0.128 17.258 1.00 0.00 H new ATOM 493 N ALA A 31 0.835 -4.755 17.525 1.00 0.00 N ATOM 494 CA ALA A 31 0.098 -4.912 16.278 1.00 0.00 C ATOM 495 C ALA A 31 0.321 -3.719 15.355 1.00 0.00 C ATOM 496 O ALA A 31 0.879 -2.701 15.763 1.00 0.00 O ATOM 497 CB ALA A 31 -1.386 -5.093 16.561 1.00 0.00 C ATOM 0 H ALA A 31 0.254 -4.767 18.363 1.00 0.00 H new ATOM 0 HA ALA A 31 0.472 -5.803 15.774 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.924 -5.209 15.620 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.534 -5.981 17.176 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.765 -4.219 17.090 1.00 0.00 H new ATOM 503 N GLY A 32 -0.120 -3.851 14.107 1.00 0.00 N ATOM 504 CA GLY A 32 0.042 -2.776 13.145 1.00 0.00 C ATOM 505 C GLY A 32 1.325 -2.900 12.347 1.00 0.00 C ATOM 506 O GLY A 32 1.453 -2.317 11.270 1.00 0.00 O ATOM 0 H GLY A 32 -0.586 -4.683 13.745 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.808 -2.772 12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.034 -1.820 13.669 1.00 0.00 H new ATOM 510 N ASP A 33 2.278 -3.659 12.876 1.00 0.00 N ATOM 511 CA ASP A 33 3.558 -3.857 12.207 1.00 0.00 C ATOM 512 C ASP A 33 3.455 -4.954 11.151 1.00 0.00 C ATOM 513 O ASP A 33 2.607 -5.841 11.243 1.00 0.00 O ATOM 514 CB ASP A 33 4.641 -4.214 13.226 1.00 0.00 C ATOM 515 CG ASP A 33 5.467 -3.011 13.637 1.00 0.00 C ATOM 516 OD1 ASP A 33 4.925 -2.130 14.337 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.656 -2.951 13.260 1.00 0.00 O ATOM 0 H ASP A 33 2.188 -4.148 13.767 1.00 0.00 H new ATOM 0 HA ASP A 33 3.829 -2.924 11.712 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.175 -4.650 14.110 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.297 -4.975 12.803 1.00 0.00 H new ATOM 522 N VAL A 34 4.323 -4.885 10.147 1.00 0.00 N ATOM 523 CA VAL A 34 4.330 -5.871 9.073 1.00 0.00 C ATOM 524 C VAL A 34 5.275 -7.024 9.392 1.00 0.00 C ATOM 525 O VAL A 34 6.371 -6.817 9.914 1.00 0.00 O ATOM 526 CB VAL A 34 4.745 -5.238 7.732 1.00 0.00 C ATOM 527 CG1 VAL A 34 3.674 -4.276 7.241 1.00 0.00 C ATOM 528 CG2 VAL A 34 6.085 -4.532 7.869 1.00 0.00 C ATOM 0 H VAL A 34 5.031 -4.156 10.055 1.00 0.00 H new ATOM 0 HA VAL A 34 3.312 -6.252 8.987 1.00 0.00 H new ATOM 0 HB VAL A 34 4.852 -6.032 6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.985 -3.839 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.737 -4.815 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.532 -3.484 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.363 -4.090 6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.008 -3.748 8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.846 -5.251 8.171 1.00 0.00 H new ATOM 538 N PHE A 35 4.843 -8.241 9.075 1.00 0.00 N ATOM 539 CA PHE A 35 5.650 -9.428 9.329 1.00 0.00 C ATOM 540 C PHE A 35 5.486 -10.447 8.205 1.00 0.00 C ATOM 541 O PHE A 35 4.406 -10.587 7.631 1.00 0.00 O ATOM 542 CB PHE A 35 5.260 -10.060 10.666 1.00 0.00 C ATOM 543 CG PHE A 35 5.277 -9.092 11.814 1.00 0.00 C ATOM 544 CD1 PHE A 35 4.188 -8.272 12.062 1.00 0.00 C ATOM 545 CD2 PHE A 35 6.382 -9.001 12.646 1.00 0.00 C ATOM 546 CE1 PHE A 35 4.201 -7.379 13.117 1.00 0.00 C ATOM 547 CE2 PHE A 35 6.401 -8.111 13.703 1.00 0.00 C ATOM 548 CZ PHE A 35 5.308 -7.300 13.939 1.00 0.00 C ATOM 0 H PHE A 35 3.939 -8.430 8.642 1.00 0.00 H new ATOM 0 HA PHE A 35 6.696 -9.124 9.371 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.262 -10.490 10.578 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.943 -10.881 10.884 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.319 -8.331 11.424 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.239 -9.633 12.466 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.347 -6.744 13.298 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.269 -8.050 14.343 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.319 -6.605 14.765 1.00 0.00 H new ATOM 558 N HIS A 36 6.567 -11.157 7.895 1.00 0.00 N ATOM 559 CA HIS A 36 6.543 -12.164 6.840 1.00 0.00 C ATOM 560 C HIS A 36 7.177 -13.467 7.319 1.00 0.00 C ATOM 561 O HIS A 36 8.049 -13.463 8.188 1.00 0.00 O ATOM 562 CB HIS A 36 7.277 -11.652 5.601 1.00 0.00 C ATOM 563 CG HIS A 36 7.005 -12.458 4.368 1.00 0.00 C ATOM 564 ND1 HIS A 36 5.788 -12.454 3.720 1.00 0.00 N ATOM 565 CD2 HIS A 36 7.802 -13.294 3.663 1.00 0.00 C ATOM 566 CE1 HIS A 36 5.847 -13.256 2.671 1.00 0.00 C ATOM 567 NE2 HIS A 36 7.059 -13.777 2.614 1.00 0.00 N ATOM 0 H HIS A 36 7.469 -11.053 8.359 1.00 0.00 H new ATOM 0 HA HIS A 36 5.502 -12.360 6.582 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.988 -10.617 5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.349 -11.654 5.797 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.831 -13.536 3.884 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.041 -13.452 1.979 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.390 -14.432 1.906 1.00 0.00 H new ATOM 575 N VAL A 37 6.734 -14.581 6.745 1.00 0.00 N ATOM 576 CA VAL A 37 7.258 -15.891 7.113 1.00 0.00 C ATOM 577 C VAL A 37 8.317 -16.357 6.120 1.00 0.00 C ATOM 578 O VAL A 37 8.070 -16.419 4.916 1.00 0.00 O ATOM 579 CB VAL A 37 6.136 -16.945 7.183 1.00 0.00 C ATOM 580 CG1 VAL A 37 5.179 -16.631 8.322 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.394 -17.021 5.857 1.00 0.00 C ATOM 0 H VAL A 37 6.014 -14.603 6.023 1.00 0.00 H new ATOM 0 HA VAL A 37 7.710 -15.786 8.099 1.00 0.00 H new ATOM 0 HB VAL A 37 6.586 -17.918 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.393 -17.386 8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.724 -16.632 9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.732 -15.650 8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.605 -17.770 5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.954 -16.050 5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.091 -17.297 5.066 1.00 0.00 H new ATOM 591 N ALA A 38 9.498 -16.685 6.634 1.00 0.00 N ATOM 592 CA ALA A 38 10.595 -17.149 5.794 1.00 0.00 C ATOM 593 C ALA A 38 10.488 -18.647 5.529 1.00 0.00 C ATOM 594 O ALA A 38 10.993 -19.147 4.524 1.00 0.00 O ATOM 595 CB ALA A 38 11.932 -16.819 6.441 1.00 0.00 C ATOM 0 H ALA A 38 9.719 -16.638 7.629 1.00 0.00 H new ATOM 0 HA ALA A 38 10.530 -16.632 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.742 -17.171 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.016 -15.740 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.997 -17.309 7.413 1.00 0.00 H new ATOM 601 N ARG A 39 9.828 -19.358 6.437 1.00 0.00 N ATOM 602 CA ARG A 39 9.658 -20.800 6.302 1.00 0.00 C ATOM 603 C ARG A 39 8.293 -21.237 6.826 1.00 0.00 C ATOM 604 O ARG A 39 7.855 -20.799 7.890 1.00 0.00 O ATOM 605 CB ARG A 39 10.765 -21.539 7.055 1.00 0.00 C ATOM 606 CG ARG A 39 12.018 -21.768 6.225 1.00 0.00 C ATOM 607 CD ARG A 39 11.785 -22.806 5.139 1.00 0.00 C ATOM 608 NE ARG A 39 12.997 -23.078 4.373 1.00 0.00 N ATOM 609 CZ ARG A 39 13.044 -23.918 3.345 1.00 0.00 C ATOM 610 NH1 ARG A 39 11.951 -24.564 2.962 1.00 0.00 N ATOM 611 NH2 ARG A 39 14.185 -24.113 2.697 1.00 0.00 N ATOM 0 H ARG A 39 9.402 -18.959 7.274 1.00 0.00 H new ATOM 0 HA ARG A 39 9.720 -21.050 5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.029 -20.970 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.382 -22.502 7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.331 -20.828 5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.831 -22.095 6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.427 -23.731 5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.002 -22.457 4.466 1.00 0.00 H new ATOM 0 HE ARG A 39 13.855 -22.597 4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.072 -24.416 3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.990 -25.208 2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.028 -23.618 2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.219 -24.758 1.908 1.00 0.00 H new ATOM 625 N LYS A 40 7.625 -22.102 6.071 1.00 0.00 N ATOM 626 CA LYS A 40 6.310 -22.600 6.458 1.00 0.00 C ATOM 627 C LYS A 40 6.385 -24.065 6.877 1.00 0.00 C ATOM 628 O LYS A 40 6.582 -24.949 6.044 1.00 0.00 O ATOM 629 CB LYS A 40 5.320 -22.440 5.302 1.00 0.00 C ATOM 630 CG LYS A 40 5.869 -22.901 3.963 1.00 0.00 C ATOM 631 CD LYS A 40 4.868 -22.676 2.843 1.00 0.00 C ATOM 632 CE LYS A 40 5.393 -23.195 1.513 1.00 0.00 C ATOM 633 NZ LYS A 40 4.636 -22.634 0.360 1.00 0.00 N ATOM 0 H LYS A 40 7.973 -22.473 5.187 1.00 0.00 H new ATOM 0 HA LYS A 40 5.963 -22.013 7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.416 -23.005 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.030 -21.392 5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.791 -22.363 3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.123 -23.960 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.931 -23.177 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.648 -21.612 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.448 -22.938 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.327 -24.283 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.025 -23.012 -0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.634 -22.900 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.720 -21.597 0.361 1.00 0.00 H new ATOM 647 N GLU A 41 6.224 -24.314 8.173 1.00 0.00 N ATOM 648 CA GLU A 41 6.274 -25.673 8.701 1.00 0.00 C ATOM 649 C GLU A 41 4.893 -26.125 9.167 1.00 0.00 C ATOM 650 O GLU A 41 3.990 -25.309 9.348 1.00 0.00 O ATOM 651 CB GLU A 41 7.269 -25.757 9.860 1.00 0.00 C ATOM 652 CG GLU A 41 7.953 -27.109 9.977 1.00 0.00 C ATOM 653 CD GLU A 41 9.334 -27.012 10.597 1.00 0.00 C ATOM 654 OE1 GLU A 41 10.041 -26.021 10.320 1.00 0.00 O ATOM 655 OE2 GLU A 41 9.706 -27.928 11.360 1.00 0.00 O ATOM 0 H GLU A 41 6.058 -23.594 8.876 1.00 0.00 H new ATOM 0 HA GLU A 41 6.604 -26.336 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.028 -24.985 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.747 -25.541 10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.334 -27.774 10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.034 -27.558 8.987 1.00 0.00 H new ATOM 662 N GLU A 42 4.738 -27.432 9.358 1.00 0.00 N ATOM 663 CA GLU A 42 3.468 -27.993 9.802 1.00 0.00 C ATOM 664 C GLU A 42 3.219 -27.681 11.275 1.00 0.00 C ATOM 665 O GLU A 42 2.074 -27.599 11.718 1.00 0.00 O ATOM 666 CB GLU A 42 3.448 -29.507 9.580 1.00 0.00 C ATOM 667 CG GLU A 42 4.331 -30.276 10.548 1.00 0.00 C ATOM 668 CD GLU A 42 4.226 -31.778 10.366 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.506 -32.216 9.445 1.00 0.00 O ATOM 670 OE2 GLU A 42 4.864 -32.515 11.147 1.00 0.00 O ATOM 0 H GLU A 42 5.476 -28.121 9.212 1.00 0.00 H new ATOM 0 HA GLU A 42 2.673 -27.536 9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.423 -29.866 9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.769 -29.720 8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.368 -29.969 10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.054 -30.017 11.570 1.00 0.00 H new ATOM 677 N GLN A 43 4.301 -27.509 12.028 1.00 0.00 N ATOM 678 CA GLN A 43 4.201 -27.208 13.451 1.00 0.00 C ATOM 679 C GLN A 43 4.092 -25.704 13.682 1.00 0.00 C ATOM 680 O GLN A 43 3.019 -25.192 13.998 1.00 0.00 O ATOM 681 CB GLN A 43 5.414 -27.765 14.198 1.00 0.00 C ATOM 682 CG GLN A 43 5.454 -29.283 14.247 1.00 0.00 C ATOM 683 CD GLN A 43 6.165 -29.809 15.478 1.00 0.00 C ATOM 684 OE1 GLN A 43 7.178 -29.256 15.909 1.00 0.00 O ATOM 685 NE2 GLN A 43 5.638 -30.884 16.053 1.00 0.00 N ATOM 0 H GLN A 43 5.256 -27.573 11.676 1.00 0.00 H new ATOM 0 HA GLN A 43 3.298 -27.683 13.835 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.323 -27.401 13.720 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.413 -27.377 15.217 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.435 -29.670 14.227 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.955 -29.658 13.355 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.798 -31.311 15.663 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.074 -31.283 16.885 1.00 0.00 H new ATOM 694 N TRP A 44 5.210 -25.004 13.524 1.00 0.00 N ATOM 695 CA TRP A 44 5.240 -23.559 13.717 1.00 0.00 C ATOM 696 C TRP A 44 5.800 -22.857 12.485 1.00 0.00 C ATOM 697 O TRP A 44 6.547 -23.451 11.707 1.00 0.00 O ATOM 698 CB TRP A 44 6.078 -23.205 14.946 1.00 0.00 C ATOM 699 CG TRP A 44 5.707 -23.993 16.166 1.00 0.00 C ATOM 700 CD1 TRP A 44 6.536 -24.768 16.925 1.00 0.00 C ATOM 701 CD2 TRP A 44 4.410 -24.084 16.765 1.00 0.00 C ATOM 702 NE1 TRP A 44 5.833 -25.335 17.960 1.00 0.00 N ATOM 703 CE2 TRP A 44 4.527 -24.931 17.885 1.00 0.00 C ATOM 704 CE3 TRP A 44 3.161 -23.531 16.466 1.00 0.00 C ATOM 705 CZ2 TRP A 44 3.442 -25.237 18.703 1.00 0.00 C ATOM 706 CZ3 TRP A 44 2.086 -23.836 17.279 1.00 0.00 C ATOM 707 CH2 TRP A 44 2.232 -24.682 18.387 1.00 0.00 C ATOM 0 H TRP A 44 6.107 -25.414 13.263 1.00 0.00 H new ATOM 0 HA TRP A 44 4.217 -23.217 13.873 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.131 -23.374 14.720 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.964 -22.142 15.160 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.590 -24.914 16.739 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.221 -25.956 18.670 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.039 -22.877 15.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.552 -25.889 19.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.116 -23.415 17.057 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.372 -24.900 19.003 1.00 0.00 H new ATOM 718 N TRP A 45 5.435 -21.592 12.313 1.00 0.00 N ATOM 719 CA TRP A 45 5.902 -20.809 11.174 1.00 0.00 C ATOM 720 C TRP A 45 6.976 -19.815 11.601 1.00 0.00 C ATOM 721 O TRP A 45 6.816 -19.101 12.591 1.00 0.00 O ATOM 722 CB TRP A 45 4.732 -20.068 10.525 1.00 0.00 C ATOM 723 CG TRP A 45 3.854 -20.955 9.695 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.669 -22.299 9.849 1.00 0.00 C ATOM 725 CD2 TRP A 45 3.043 -20.561 8.583 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.792 -22.764 8.899 1.00 0.00 N ATOM 727 CE2 TRP A 45 2.393 -21.717 8.111 1.00 0.00 C ATOM 728 CE3 TRP A 45 2.802 -19.343 7.942 1.00 0.00 C ATOM 729 CZ2 TRP A 45 1.520 -21.689 7.027 1.00 0.00 C ATOM 730 CZ3 TRP A 45 1.935 -19.317 6.866 1.00 0.00 C ATOM 731 CH2 TRP A 45 1.302 -20.484 6.417 1.00 0.00 C ATOM 0 H TRP A 45 4.817 -21.086 12.947 1.00 0.00 H new ATOM 0 HA TRP A 45 6.337 -21.495 10.447 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.131 -19.600 11.304 1.00 0.00 H new ATOM 0 HB3 TRP A 45 5.122 -19.266 9.898 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.142 -22.907 10.606 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.487 -23.732 8.797 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.284 -18.438 8.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 1.032 -22.587 6.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.742 -18.381 6.363 1.00 0.00 H new ATOM 0 HH2 TRP A 45 0.629 -20.431 5.574 1.00 0.00 H new ATOM 742 N TRP A 46 8.070 -19.774 10.849 1.00 0.00 N ATOM 743 CA TRP A 46 9.170 -18.865 11.150 1.00 0.00 C ATOM 744 C TRP A 46 8.882 -17.465 10.619 1.00 0.00 C ATOM 745 O TRP A 46 8.943 -17.224 9.414 1.00 0.00 O ATOM 746 CB TRP A 46 10.474 -19.394 10.549 1.00 0.00 C ATOM 747 CG TRP A 46 11.085 -20.509 11.343 1.00 0.00 C ATOM 748 CD1 TRP A 46 10.423 -21.447 12.082 1.00 0.00 C ATOM 749 CD2 TRP A 46 12.480 -20.801 11.477 1.00 0.00 C ATOM 750 NE1 TRP A 46 11.322 -22.304 12.669 1.00 0.00 N ATOM 751 CE2 TRP A 46 12.591 -21.930 12.312 1.00 0.00 C ATOM 752 CE3 TRP A 46 13.646 -20.220 10.972 1.00 0.00 C ATOM 753 CZ2 TRP A 46 13.821 -22.486 12.652 1.00 0.00 C ATOM 754 CZ3 TRP A 46 14.866 -20.772 11.311 1.00 0.00 C ATOM 755 CH2 TRP A 46 14.947 -21.896 12.144 1.00 0.00 C ATOM 0 H TRP A 46 8.219 -20.359 10.027 1.00 0.00 H new ATOM 0 HA TRP A 46 9.274 -18.807 12.233 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.283 -19.743 9.534 1.00 0.00 H new ATOM 0 HB3 TRP A 46 11.190 -18.575 10.475 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.350 -21.506 12.189 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.084 -23.091 13.273 1.00 0.00 H new ATOM 0 HE3 TRP A 46 13.594 -19.355 10.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.885 -23.352 13.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 15.773 -20.330 10.927 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.916 -22.304 12.390 1.00 0.00 H new ATOM 766 N ALA A 47 8.569 -16.546 11.526 1.00 0.00 N ATOM 767 CA ALA A 47 8.274 -15.170 11.149 1.00 0.00 C ATOM 768 C ALA A 47 9.455 -14.253 11.447 1.00 0.00 C ATOM 769 O ALA A 47 10.268 -14.537 12.327 1.00 0.00 O ATOM 770 CB ALA A 47 7.027 -14.680 11.871 1.00 0.00 C ATOM 0 H ALA A 47 8.513 -16.730 12.528 1.00 0.00 H new ATOM 0 HA ALA A 47 8.091 -15.146 10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.819 -13.651 11.580 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.180 -15.311 11.603 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.188 -14.727 12.948 1.00 0.00 H new ATOM 776 N THR A 48 9.545 -13.151 10.709 1.00 0.00 N ATOM 777 CA THR A 48 10.628 -12.194 10.894 1.00 0.00 C ATOM 778 C THR A 48 10.092 -10.770 10.995 1.00 0.00 C ATOM 779 O THR A 48 9.222 -10.367 10.223 1.00 0.00 O ATOM 780 CB THR A 48 11.645 -12.266 9.739 1.00 0.00 C ATOM 781 OG1 THR A 48 11.854 -13.630 9.355 1.00 0.00 O ATOM 782 CG2 THR A 48 12.970 -11.639 10.145 1.00 0.00 C ATOM 0 H THR A 48 8.880 -12.899 9.977 1.00 0.00 H new ATOM 0 HA THR A 48 11.128 -12.459 11.826 1.00 0.00 H new ATOM 0 HB THR A 48 11.242 -11.709 8.893 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.500 -13.667 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.672 -11.702 9.314 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.812 -10.593 10.409 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.377 -12.172 11.004 1.00 0.00 H new ATOM 790 N LEU A 49 10.617 -10.012 11.952 1.00 0.00 N ATOM 791 CA LEU A 49 10.192 -8.632 12.154 1.00 0.00 C ATOM 792 C LEU A 49 11.136 -7.662 11.451 1.00 0.00 C ATOM 793 O LEU A 49 12.332 -7.622 11.743 1.00 0.00 O ATOM 794 CB LEU A 49 10.132 -8.310 13.648 1.00 0.00 C ATOM 795 CG LEU A 49 10.134 -6.825 14.016 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.904 -6.133 13.450 1.00 0.00 C ATOM 797 CD2 LEU A 49 10.201 -6.650 15.526 1.00 0.00 C ATOM 0 H LEU A 49 11.338 -10.330 12.600 1.00 0.00 H new ATOM 0 HA LEU A 49 9.197 -8.518 11.723 1.00 0.00 H new ATOM 0 HB2 LEU A 49 9.232 -8.765 14.061 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.983 -8.786 14.136 1.00 0.00 H new ATOM 0 HG LEU A 49 11.018 -6.363 13.578 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.923 -5.078 13.722 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.900 -6.228 12.364 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.006 -6.597 13.858 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.202 -5.588 15.769 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.336 -7.127 15.986 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.114 -7.110 15.905 1.00 0.00 H new ATOM 809 N LEU A 50 10.591 -6.881 10.525 1.00 0.00 N ATOM 810 CA LEU A 50 11.385 -5.909 9.781 1.00 0.00 C ATOM 811 C LEU A 50 11.026 -4.484 10.192 1.00 0.00 C ATOM 812 O LEU A 50 9.972 -4.245 10.782 1.00 0.00 O ATOM 813 CB LEU A 50 11.168 -6.088 8.277 1.00 0.00 C ATOM 814 CG LEU A 50 10.726 -7.480 7.824 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.497 -7.504 6.321 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.758 -8.524 8.224 1.00 0.00 C ATOM 0 H LEU A 50 9.603 -6.902 10.271 1.00 0.00 H new ATOM 0 HA LEU A 50 12.436 -6.081 10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.419 -5.367 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.097 -5.839 7.764 1.00 0.00 H new ATOM 0 HG LEU A 50 9.785 -7.720 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.183 -8.502 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.721 -6.784 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.422 -7.242 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.427 -9.508 7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.714 -8.288 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.873 -8.525 9.308 1.00 0.00 H new ATOM 828 N ASP A 51 11.908 -3.543 9.875 1.00 0.00 N ATOM 829 CA ASP A 51 11.683 -2.141 10.208 1.00 0.00 C ATOM 830 C ASP A 51 10.667 -1.513 9.259 1.00 0.00 C ATOM 831 O ASP A 51 10.154 -2.176 8.358 1.00 0.00 O ATOM 832 CB ASP A 51 12.999 -1.364 10.152 1.00 0.00 C ATOM 833 CG ASP A 51 13.077 -0.281 11.210 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.814 -0.586 12.393 1.00 0.00 O ATOM 835 OD2 ASP A 51 13.402 0.872 10.856 1.00 0.00 O ATOM 0 H ASP A 51 12.785 -3.725 9.388 1.00 0.00 H new ATOM 0 HA ASP A 51 11.284 -2.094 11.221 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.832 -2.055 10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.110 -0.913 9.166 1.00 0.00 H new ATOM 840 N GLU A 52 10.381 -0.232 9.469 1.00 0.00 N ATOM 841 CA GLU A 52 9.424 0.484 8.633 1.00 0.00 C ATOM 842 C GLU A 52 9.863 0.470 7.171 1.00 0.00 C ATOM 843 O GLU A 52 9.033 0.422 6.264 1.00 0.00 O ATOM 844 CB GLU A 52 9.270 1.927 9.117 1.00 0.00 C ATOM 845 CG GLU A 52 10.525 2.765 8.941 1.00 0.00 C ATOM 846 CD GLU A 52 10.660 3.842 10.000 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.644 4.495 10.316 1.00 0.00 O ATOM 848 OE2 GLU A 52 11.783 4.030 10.514 1.00 0.00 O ATOM 0 H GLU A 52 10.798 0.331 10.210 1.00 0.00 H new ATOM 0 HA GLU A 52 8.462 -0.022 8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.450 2.398 8.575 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.993 1.920 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.399 2.115 8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.512 3.230 7.955 1.00 0.00 H new ATOM 855 N ALA A 53 11.173 0.513 6.952 1.00 0.00 N ATOM 856 CA ALA A 53 11.722 0.504 5.602 1.00 0.00 C ATOM 857 C ALA A 53 11.725 -0.905 5.019 1.00 0.00 C ATOM 858 O ALA A 53 11.830 -1.086 3.807 1.00 0.00 O ATOM 859 CB ALA A 53 13.130 1.081 5.601 1.00 0.00 C ATOM 0 H ALA A 53 11.874 0.554 7.692 1.00 0.00 H new ATOM 0 HA ALA A 53 11.085 1.127 4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.528 1.068 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.103 2.107 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.769 0.481 6.249 1.00 0.00 H new ATOM 865 N GLY A 54 11.610 -1.902 5.892 1.00 0.00 N ATOM 866 CA GLY A 54 11.602 -3.282 5.444 1.00 0.00 C ATOM 867 C GLY A 54 12.840 -4.040 5.881 1.00 0.00 C ATOM 868 O GLY A 54 12.921 -5.257 5.720 1.00 0.00 O ATOM 0 H GLY A 54 11.522 -1.778 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.716 -3.783 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.529 -3.308 4.357 1.00 0.00 H new ATOM 872 N GLY A 55 13.810 -3.318 6.435 1.00 0.00 N ATOM 873 CA GLY A 55 15.038 -3.946 6.885 1.00 0.00 C ATOM 874 C GLY A 55 14.812 -4.891 8.049 1.00 0.00 C ATOM 875 O GLY A 55 14.383 -4.472 9.124 1.00 0.00 O ATOM 0 H GLY A 55 13.767 -2.309 6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.487 -4.495 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.750 -3.175 7.180 1.00 0.00 H new ATOM 879 N ALA A 56 15.101 -6.170 7.835 1.00 0.00 N ATOM 880 CA ALA A 56 14.927 -7.177 8.875 1.00 0.00 C ATOM 881 C ALA A 56 15.609 -6.751 10.170 1.00 0.00 C ATOM 882 O ALA A 56 16.586 -6.001 10.153 1.00 0.00 O ATOM 883 CB ALA A 56 15.471 -8.519 8.406 1.00 0.00 C ATOM 0 H ALA A 56 15.457 -6.534 6.951 1.00 0.00 H new ATOM 0 HA ALA A 56 13.860 -7.279 9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.335 -9.262 9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.936 -8.836 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.533 -8.422 8.179 1.00 0.00 H new ATOM 889 N VAL A 57 15.089 -7.233 11.294 1.00 0.00 N ATOM 890 CA VAL A 57 15.648 -6.903 12.599 1.00 0.00 C ATOM 891 C VAL A 57 15.858 -8.156 13.441 1.00 0.00 C ATOM 892 O VAL A 57 16.991 -8.554 13.709 1.00 0.00 O ATOM 893 CB VAL A 57 14.737 -5.928 13.369 1.00 0.00 C ATOM 894 CG1 VAL A 57 15.438 -5.416 14.619 1.00 0.00 C ATOM 895 CG2 VAL A 57 14.317 -4.772 12.473 1.00 0.00 C ATOM 0 H VAL A 57 14.281 -7.854 11.327 1.00 0.00 H new ATOM 0 HA VAL A 57 16.611 -6.425 12.419 1.00 0.00 H new ATOM 0 HB VAL A 57 13.840 -6.464 13.678 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.779 -4.729 15.150 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.685 -6.256 15.268 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.353 -4.896 14.336 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.674 -4.093 13.033 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.202 -4.235 12.132 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.773 -5.159 11.611 1.00 0.00 H new ATOM 905 N ALA A 58 14.757 -8.776 13.855 1.00 0.00 N ATOM 906 CA ALA A 58 14.820 -9.986 14.664 1.00 0.00 C ATOM 907 C ALA A 58 14.037 -11.123 14.015 1.00 0.00 C ATOM 908 O ALA A 58 13.427 -10.944 12.961 1.00 0.00 O ATOM 909 CB ALA A 58 14.293 -9.713 16.065 1.00 0.00 C ATOM 0 H ALA A 58 13.811 -8.459 13.643 1.00 0.00 H new ATOM 0 HA ALA A 58 15.864 -10.292 14.733 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.346 -10.626 16.658 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.898 -8.938 16.537 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.257 -9.379 16.005 1.00 0.00 H new ATOM 915 N GLN A 59 14.060 -12.290 14.650 1.00 0.00 N ATOM 916 CA GLN A 59 13.353 -13.455 14.132 1.00 0.00 C ATOM 917 C GLN A 59 12.551 -14.139 15.234 1.00 0.00 C ATOM 918 O GLN A 59 13.077 -14.435 16.306 1.00 0.00 O ATOM 919 CB GLN A 59 14.342 -14.445 13.515 1.00 0.00 C ATOM 920 CG GLN A 59 15.380 -13.789 12.618 1.00 0.00 C ATOM 921 CD GLN A 59 16.011 -14.766 11.645 1.00 0.00 C ATOM 922 OE1 GLN A 59 15.320 -15.396 10.844 1.00 0.00 O ATOM 923 NE2 GLN A 59 17.331 -14.896 11.710 1.00 0.00 N ATOM 0 H GLN A 59 14.560 -12.454 15.524 1.00 0.00 H new ATOM 0 HA GLN A 59 12.661 -13.116 13.361 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.852 -14.982 14.315 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.789 -15.185 12.936 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.912 -12.978 12.060 1.00 0.00 H new ATOM 0 HG3 GLN A 59 16.159 -13.343 13.236 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.864 -14.354 12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.812 -15.538 11.080 1.00 0.00 H new ATOM 932 N GLY A 60 11.273 -14.388 14.962 1.00 0.00 N ATOM 933 CA GLY A 60 10.419 -15.035 15.940 1.00 0.00 C ATOM 934 C GLY A 60 9.307 -15.840 15.297 1.00 0.00 C ATOM 935 O GLY A 60 8.786 -15.462 14.247 1.00 0.00 O ATOM 0 H GLY A 60 10.815 -14.153 14.082 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.022 -15.691 16.567 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.985 -14.280 16.595 1.00 0.00 H new ATOM 939 N TYR A 61 8.943 -16.952 15.926 1.00 0.00 N ATOM 940 CA TYR A 61 7.889 -17.814 15.406 1.00 0.00 C ATOM 941 C TYR A 61 6.625 -17.701 16.254 1.00 0.00 C ATOM 942 O TYR A 61 6.694 -17.530 17.471 1.00 0.00 O ATOM 943 CB TYR A 61 8.362 -19.268 15.367 1.00 0.00 C ATOM 944 CG TYR A 61 8.427 -19.920 16.730 1.00 0.00 C ATOM 945 CD1 TYR A 61 7.312 -20.544 17.276 1.00 0.00 C ATOM 946 CD2 TYR A 61 9.601 -19.912 17.471 1.00 0.00 C ATOM 947 CE1 TYR A 61 7.365 -21.141 18.521 1.00 0.00 C ATOM 948 CE2 TYR A 61 9.665 -20.507 18.716 1.00 0.00 C ATOM 949 CZ TYR A 61 8.544 -21.120 19.237 1.00 0.00 C ATOM 950 OH TYR A 61 8.602 -21.713 20.477 1.00 0.00 O ATOM 0 H TYR A 61 9.363 -17.277 16.797 1.00 0.00 H new ATOM 0 HA TYR A 61 7.656 -17.488 14.392 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.690 -19.843 14.730 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.349 -19.308 14.907 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.388 -20.563 16.718 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.480 -19.432 17.067 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.489 -21.621 18.931 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.587 -20.492 19.278 1.00 0.00 H new ATOM 0 HH TYR A 61 9.539 -21.825 20.743 1.00 0.00 H new ATOM 960 N VAL A 62 5.472 -17.799 15.601 1.00 0.00 N ATOM 961 CA VAL A 62 4.192 -17.710 16.293 1.00 0.00 C ATOM 962 C VAL A 62 3.111 -18.490 15.553 1.00 0.00 C ATOM 963 O VAL A 62 3.197 -18.727 14.348 1.00 0.00 O ATOM 964 CB VAL A 62 3.738 -16.246 16.448 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.497 -15.568 17.578 1.00 0.00 C ATOM 966 CG2 VAL A 62 3.923 -15.491 15.141 1.00 0.00 C ATOM 0 H VAL A 62 5.398 -17.940 14.594 1.00 0.00 H new ATOM 0 HA VAL A 62 4.337 -18.145 17.282 1.00 0.00 H new ATOM 0 HB VAL A 62 2.677 -16.237 16.699 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.163 -14.535 17.672 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.308 -16.097 18.512 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.565 -15.585 17.361 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.597 -14.459 15.268 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.975 -15.507 14.857 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.329 -15.965 14.360 1.00 0.00 H new ATOM 976 N PRO A 63 2.068 -18.900 16.289 1.00 0.00 N ATOM 977 CA PRO A 63 0.949 -19.659 15.723 1.00 0.00 C ATOM 978 C PRO A 63 0.086 -18.813 14.793 1.00 0.00 C ATOM 979 O PRO A 63 -0.002 -17.594 14.948 1.00 0.00 O ATOM 980 CB PRO A 63 0.148 -20.084 16.957 1.00 0.00 C ATOM 981 CG PRO A 63 0.476 -19.063 17.991 1.00 0.00 C ATOM 982 CD PRO A 63 1.899 -18.653 17.731 1.00 0.00 C ATOM 0 HA PRO A 63 1.291 -20.494 15.112 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.921 -20.105 16.747 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.428 -21.085 17.286 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.196 -18.207 17.921 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.365 -19.474 18.994 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.067 -17.606 17.982 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.601 -19.239 18.324 1.00 0.00 H new ATOM 990 N HIS A 64 -0.551 -19.466 13.827 1.00 0.00 N ATOM 991 CA HIS A 64 -1.409 -18.773 12.872 1.00 0.00 C ATOM 992 C HIS A 64 -2.515 -18.008 13.591 1.00 0.00 C ATOM 993 O HIS A 64 -3.062 -17.042 13.060 1.00 0.00 O ATOM 994 CB HIS A 64 -2.020 -19.770 11.886 1.00 0.00 C ATOM 995 CG HIS A 64 -2.824 -19.123 10.801 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.398 -18.005 10.114 1.00 0.00 N ATOM 997 CD2 HIS A 64 -4.033 -19.443 10.283 1.00 0.00 C ATOM 998 CE1 HIS A 64 -3.311 -17.665 9.222 1.00 0.00 C ATOM 999 NE2 HIS A 64 -4.313 -18.522 9.304 1.00 0.00 N ATOM 0 H HIS A 64 -0.490 -20.474 13.684 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.796 -18.059 12.322 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.221 -20.357 11.434 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.656 -20.466 12.433 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.660 -20.269 10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.249 -16.829 8.541 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.158 -18.503 8.733 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.841 -18.447 14.803 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.883 -17.803 15.595 1.00 0.00 C ATOM 1009 C ASN A 65 -3.377 -16.498 16.201 1.00 0.00 C ATOM 1010 O ASN A 65 -4.166 -15.633 16.583 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.362 -18.742 16.704 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.274 -18.046 17.696 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -4.811 -17.440 18.663 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.578 -18.130 17.460 1.00 0.00 N ATOM 0 H ASN A 65 -2.399 -19.246 15.258 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.719 -17.575 14.934 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.890 -19.586 16.259 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.499 -19.148 17.231 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.241 -17.682 18.093 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.917 -18.643 16.646 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.059 -16.362 16.284 1.00 0.00 N ATOM 1022 CA TYR A 66 -1.448 -15.163 16.845 1.00 0.00 C ATOM 1023 C TYR A 66 -1.724 -13.948 15.965 1.00 0.00 C ATOM 1024 O TYR A 66 -2.195 -12.915 16.443 1.00 0.00 O ATOM 1025 CB TYR A 66 0.061 -15.360 17.003 1.00 0.00 C ATOM 1026 CG TYR A 66 0.646 -14.634 18.193 1.00 0.00 C ATOM 1027 CD1 TYR A 66 0.200 -14.901 19.482 1.00 0.00 C ATOM 1028 CD2 TYR A 66 1.644 -13.682 18.030 1.00 0.00 C ATOM 1029 CE1 TYR A 66 0.731 -14.240 20.573 1.00 0.00 C ATOM 1030 CE2 TYR A 66 2.182 -13.017 19.115 1.00 0.00 C ATOM 1031 CZ TYR A 66 1.722 -13.299 20.384 1.00 0.00 C ATOM 1032 OH TYR A 66 2.254 -12.639 21.468 1.00 0.00 O ATOM 0 H TYR A 66 -1.393 -17.067 15.970 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.889 -14.986 17.826 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.272 -16.425 17.099 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.560 -15.016 16.097 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.575 -15.638 19.633 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.006 -13.458 17.038 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.372 -14.459 21.568 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.958 -12.280 18.970 1.00 0.00 H new ATOM 0 HH TYR A 66 1.639 -12.709 22.228 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.429 -14.080 14.677 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.645 -12.993 13.727 1.00 0.00 C ATOM 1044 C LEU A 67 -2.793 -13.322 12.777 1.00 0.00 C ATOM 1045 O LEU A 67 -3.174 -14.482 12.626 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.368 -12.725 12.929 1.00 0.00 C ATOM 1047 CG LEU A 67 0.458 -13.955 12.551 1.00 0.00 C ATOM 1048 CD1 LEU A 67 -0.285 -14.804 11.532 1.00 0.00 C ATOM 1049 CD2 LEU A 67 1.818 -13.538 12.010 1.00 0.00 C ATOM 0 H LEU A 67 -1.040 -14.928 14.266 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.908 -12.097 14.290 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.639 -12.199 12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.264 -12.052 13.508 1.00 0.00 H new ATOM 0 HG LEU A 67 0.614 -14.554 13.448 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.318 -15.675 11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.234 -15.132 11.955 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.472 -14.215 10.634 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.392 -14.426 11.746 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.683 -12.917 11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.354 -12.972 12.771 1.00 0.00 H new ATOM 1061 N ALA A 68 -3.338 -12.292 12.138 1.00 0.00 N ATOM 1062 CA ALA A 68 -4.438 -12.471 11.199 1.00 0.00 C ATOM 1063 C ALA A 68 -4.164 -11.746 9.886 1.00 0.00 C ATOM 1064 O ALA A 68 -3.951 -10.535 9.869 1.00 0.00 O ATOM 1065 CB ALA A 68 -5.741 -11.980 11.813 1.00 0.00 C ATOM 0 H ALA A 68 -3.035 -11.325 12.254 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.529 -13.536 10.983 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.554 -12.120 11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.952 -12.546 12.720 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.651 -10.922 12.059 1.00 0.00 H new ATOM 1071 N GLU A 69 -4.169 -12.497 8.789 1.00 0.00 N ATOM 1072 CA GLU A 69 -3.919 -11.924 7.471 1.00 0.00 C ATOM 1073 C GLU A 69 -4.812 -10.712 7.226 1.00 0.00 C ATOM 1074 O GLU A 69 -6.028 -10.778 7.403 1.00 0.00 O ATOM 1075 CB GLU A 69 -4.154 -12.973 6.382 1.00 0.00 C ATOM 1076 CG GLU A 69 -5.587 -13.474 6.319 1.00 0.00 C ATOM 1077 CD GLU A 69 -5.677 -14.988 6.336 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -5.206 -15.622 5.369 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -6.219 -15.538 7.318 1.00 0.00 O ATOM 0 H GLU A 69 -4.343 -13.502 8.787 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.879 -11.600 7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.884 -12.548 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.489 -13.819 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.146 -13.071 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.061 -13.096 5.413 1.00 0.00 H new ATOM 1086 N ARG A 70 -4.199 -9.605 6.819 1.00 0.00 N ATOM 1087 CA ARG A 70 -4.937 -8.377 6.551 1.00 0.00 C ATOM 1088 C ARG A 70 -4.910 -8.039 5.063 1.00 0.00 C ATOM 1089 O ARG A 70 -4.660 -6.897 4.681 1.00 0.00 O ATOM 1090 CB ARG A 70 -4.350 -7.218 7.359 1.00 0.00 C ATOM 1091 CG ARG A 70 -2.840 -7.290 7.519 1.00 0.00 C ATOM 1092 CD ARG A 70 -2.130 -7.109 6.187 1.00 0.00 C ATOM 1093 NE ARG A 70 -2.355 -5.781 5.622 1.00 0.00 N ATOM 1094 CZ ARG A 70 -2.130 -5.477 4.349 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -1.676 -6.400 3.512 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -2.359 -4.246 3.909 1.00 0.00 N ATOM 0 H ARG A 70 -3.193 -9.534 6.668 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.973 -8.533 6.851 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.611 -6.278 6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.811 -7.204 8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.510 -6.520 8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.564 -8.252 7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.060 -7.269 6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.479 -7.866 5.484 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.704 -5.047 6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.498 -7.348 3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.505 -6.162 2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.708 -3.532 4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.186 -4.013 2.931 1.00 0.00 H new ATOM 1110 N GLU A 71 -5.168 -9.042 4.229 1.00 0.00 N ATOM 1111 CA GLU A 71 -5.171 -8.850 2.784 1.00 0.00 C ATOM 1112 C GLU A 71 -6.050 -7.665 2.394 1.00 0.00 C ATOM 1113 O GLU A 71 -6.946 -7.269 3.140 1.00 0.00 O ATOM 1114 CB GLU A 71 -5.664 -10.117 2.080 1.00 0.00 C ATOM 1115 CG GLU A 71 -7.009 -10.610 2.587 1.00 0.00 C ATOM 1116 CD GLU A 71 -8.166 -9.768 2.085 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -8.189 -9.453 0.877 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -9.047 -9.424 2.900 1.00 0.00 O ATOM 0 H GLU A 71 -5.377 -9.994 4.529 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.149 -8.641 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.737 -9.923 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.924 -10.907 2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.154 -11.644 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.006 -10.604 3.677 1.00 0.00 H new ATOM 1125 N THR A 72 -5.786 -7.101 1.219 1.00 0.00 N ATOM 1126 CA THR A 72 -6.550 -5.961 0.730 1.00 0.00 C ATOM 1127 C THR A 72 -7.417 -6.350 -0.462 1.00 0.00 C ATOM 1128 O THR A 72 -8.627 -6.125 -0.462 1.00 0.00 O ATOM 1129 CB THR A 72 -5.625 -4.799 0.320 1.00 0.00 C ATOM 1130 OG1 THR A 72 -6.403 -3.705 -0.178 1.00 0.00 O ATOM 1131 CG2 THR A 72 -4.632 -5.247 -0.742 1.00 0.00 C ATOM 0 H THR A 72 -5.048 -7.416 0.589 1.00 0.00 H new ATOM 0 HA THR A 72 -7.190 -5.635 1.550 1.00 0.00 H new ATOM 0 HB THR A 72 -5.070 -4.477 1.201 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.807 -2.970 -0.435 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.990 -4.410 -1.016 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.021 -6.060 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.173 -5.593 -1.623 1.00 0.00 H new TER 1139 THR A 72