USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=12 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+ 141:sc= -0.204 (180deg=-0.838) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.138 K(o=0.14,f=-3.1!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.0759 (180deg=-0.519) 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 110:sc= -0.247 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0507 USER MOD Single : A 28 SER OG : rot 48:sc= 0.521 USER MOD Single : A 36 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.43) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= 0.591 F(o=0,f=0.59) 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) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.702 USER MOD Single : A 64 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.48) USER MOD Single : A 65 ASN : amide:sc= -0.0388 X(o=-0.039,f=0) USER MOD Single : A 66 TYR OH : rot 128:sc= 3.27 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.410 -22.222 -22.641 1.00 0.00 N ATOM 2 CA MET A 1 -2.530 -22.527 -21.220 1.00 0.00 C ATOM 3 C MET A 1 -1.804 -21.483 -20.377 1.00 0.00 C ATOM 4 O MET A 1 -0.605 -21.259 -20.545 1.00 0.00 O ATOM 5 CB MET A 1 -1.966 -23.919 -20.925 1.00 0.00 C ATOM 6 CG MET A 1 -0.526 -24.099 -21.376 1.00 0.00 C ATOM 7 SD MET A 1 -0.053 -25.833 -21.515 1.00 0.00 S ATOM 8 CE MET A 1 1.724 -25.687 -21.684 1.00 0.00 C ATOM 0 H1 MET A 1 -2.277 -23.104 -23.175 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.275 -21.746 -22.968 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.592 -21.598 -22.794 1.00 0.00 H new ATOM 0 HA MET A 1 -3.588 -22.509 -20.958 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.029 -24.108 -19.853 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.588 -24.666 -21.417 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.388 -23.610 -22.340 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.137 -23.601 -20.668 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.163 -26.680 -21.780 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.958 -25.099 -22.572 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.134 -25.193 -20.803 1.00 0.00 H new ATOM 18 N VAL A 2 -2.538 -20.847 -19.469 1.00 0.00 N ATOM 19 CA VAL A 2 -1.964 -19.827 -18.600 1.00 0.00 C ATOM 20 C VAL A 2 -1.960 -20.284 -17.145 1.00 0.00 C ATOM 21 O VAL A 2 -2.931 -20.869 -16.665 1.00 0.00 O ATOM 22 CB VAL A 2 -2.736 -18.499 -18.707 1.00 0.00 C ATOM 23 CG1 VAL A 2 -2.103 -17.440 -17.816 1.00 0.00 C ATOM 24 CG2 VAL A 2 -2.787 -18.028 -20.153 1.00 0.00 C ATOM 0 H VAL A 2 -3.531 -21.020 -19.316 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.938 -19.670 -18.932 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.758 -18.664 -18.366 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.662 -16.508 -17.905 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.122 -17.777 -16.780 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.071 -17.275 -18.125 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.336 -17.088 -20.210 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.773 -17.879 -20.523 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.289 -18.779 -20.763 1.00 0.00 H new ATOM 34 N SER A 3 -0.861 -20.013 -16.448 1.00 0.00 N ATOM 35 CA SER A 3 -0.729 -20.399 -15.048 1.00 0.00 C ATOM 36 C SER A 3 -1.397 -19.374 -14.137 1.00 0.00 C ATOM 37 O SER A 3 -0.723 -18.596 -13.461 1.00 0.00 O ATOM 38 CB SER A 3 0.747 -20.545 -14.675 1.00 0.00 C ATOM 39 OG SER A 3 0.893 -21.064 -13.364 1.00 0.00 O ATOM 0 H SER A 3 -0.049 -19.528 -16.830 1.00 0.00 H new ATOM 0 HA SER A 3 -1.227 -21.359 -14.912 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.242 -21.205 -15.388 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.240 -19.575 -14.743 1.00 0.00 H new ATOM 0 HG SER A 3 1.846 -21.149 -13.150 1.00 0.00 H new ATOM 45 N ARG A 4 -2.726 -19.379 -14.124 1.00 0.00 N ATOM 46 CA ARG A 4 -3.486 -18.450 -13.297 1.00 0.00 C ATOM 47 C ARG A 4 -3.521 -18.917 -11.845 1.00 0.00 C ATOM 48 O ARG A 4 -3.599 -18.105 -10.923 1.00 0.00 O ATOM 49 CB ARG A 4 -4.912 -18.306 -13.832 1.00 0.00 C ATOM 50 CG ARG A 4 -4.992 -17.572 -15.161 1.00 0.00 C ATOM 51 CD ARG A 4 -6.435 -17.337 -15.580 1.00 0.00 C ATOM 52 NE ARG A 4 -7.075 -18.563 -16.049 1.00 0.00 N ATOM 53 CZ ARG A 4 -8.328 -18.616 -16.489 1.00 0.00 C ATOM 54 NH1 ARG A 4 -9.070 -17.518 -16.520 1.00 0.00 N ATOM 55 NH2 ARG A 4 -8.839 -19.769 -16.900 1.00 0.00 N ATOM 0 H ARG A 4 -3.299 -20.017 -14.677 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.991 -17.480 -13.337 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.350 -19.298 -13.947 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.515 -17.775 -13.096 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.474 -16.616 -15.082 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.478 -18.150 -15.929 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -6.996 -16.935 -14.737 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.466 -16.587 -16.370 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.531 -19.426 -16.038 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.680 -16.630 -16.206 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.031 -17.561 -16.858 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.270 -20.615 -16.878 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.801 -19.809 -17.238 1.00 0.00 H new ATOM 69 N ASP A 5 -3.463 -20.230 -11.650 1.00 0.00 N ATOM 70 CA ASP A 5 -3.488 -20.806 -10.311 1.00 0.00 C ATOM 71 C ASP A 5 -2.416 -20.174 -9.428 1.00 0.00 C ATOM 72 O ASP A 5 -1.363 -19.762 -9.913 1.00 0.00 O ATOM 73 CB ASP A 5 -3.281 -22.320 -10.380 1.00 0.00 C ATOM 74 CG ASP A 5 -4.440 -23.032 -11.049 1.00 0.00 C ATOM 75 OD1 ASP A 5 -5.504 -23.169 -10.408 1.00 0.00 O ATOM 76 OD2 ASP A 5 -4.285 -23.453 -12.214 1.00 0.00 O ATOM 0 H ASP A 5 -3.398 -20.915 -12.403 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.464 -20.600 -9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.363 -22.534 -10.927 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.150 -22.712 -9.372 1.00 0.00 H new ATOM 81 N GLN A 6 -2.694 -20.101 -8.130 1.00 0.00 N ATOM 82 CA GLN A 6 -1.754 -19.518 -7.180 1.00 0.00 C ATOM 83 C GLN A 6 -1.131 -20.595 -6.299 1.00 0.00 C ATOM 84 O GLN A 6 -1.789 -21.569 -5.934 1.00 0.00 O ATOM 85 CB GLN A 6 -2.457 -18.474 -6.310 1.00 0.00 C ATOM 86 CG GLN A 6 -3.722 -18.990 -5.644 1.00 0.00 C ATOM 87 CD GLN A 6 -4.957 -18.788 -6.500 1.00 0.00 C ATOM 88 OE1 GLN A 6 -5.366 -19.681 -7.242 1.00 0.00 O ATOM 89 NE2 GLN A 6 -5.559 -17.608 -6.401 1.00 0.00 N ATOM 0 H GLN A 6 -3.562 -20.438 -7.713 1.00 0.00 H new ATOM 0 HA GLN A 6 -0.959 -19.033 -7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.766 -18.129 -5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.707 -17.609 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.606 -20.052 -5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.859 -18.481 -4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.186 -16.896 -5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.395 -17.414 -6.953 1.00 0.00 H new ATOM 98 N ALA A 7 0.142 -20.414 -5.961 1.00 0.00 N ATOM 99 CA ALA A 7 0.853 -21.370 -5.121 1.00 0.00 C ATOM 100 C ALA A 7 0.550 -21.136 -3.645 1.00 0.00 C ATOM 101 O ALA A 7 0.315 -22.081 -2.892 1.00 0.00 O ATOM 102 CB ALA A 7 2.351 -21.283 -5.375 1.00 0.00 C ATOM 0 H ALA A 7 0.702 -19.614 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 7 0.509 -22.371 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.870 -22.002 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.556 -21.507 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.701 -20.277 -5.144 1.00 0.00 H new ATOM 108 N HIS A 8 0.558 -19.870 -3.238 1.00 0.00 N ATOM 109 CA HIS A 8 0.284 -19.512 -1.851 1.00 0.00 C ATOM 110 C HIS A 8 0.063 -18.009 -1.711 1.00 0.00 C ATOM 111 O HIS A 8 0.787 -17.207 -2.304 1.00 0.00 O ATOM 112 CB HIS A 8 1.436 -19.956 -0.950 1.00 0.00 C ATOM 113 CG HIS A 8 1.108 -19.907 0.511 1.00 0.00 C ATOM 114 ND1 HIS A 8 0.205 -20.760 1.109 1.00 0.00 N ATOM 115 CD2 HIS A 8 1.570 -19.100 1.495 1.00 0.00 C ATOM 116 CE1 HIS A 8 0.124 -20.480 2.397 1.00 0.00 C ATOM 117 NE2 HIS A 8 0.943 -19.476 2.657 1.00 0.00 N ATOM 0 H HIS A 8 0.751 -19.076 -3.849 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.627 -20.025 -1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.722 -20.974 -1.216 1.00 0.00 H new ATOM 0 HB3 HIS A 8 2.301 -19.321 -1.141 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.296 -18.308 1.386 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.504 -20.985 3.115 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.086 -19.050 3.572 1.00 0.00 H new ATOM 125 N LEU A 9 -0.940 -17.634 -0.925 1.00 0.00 N ATOM 126 CA LEU A 9 -1.256 -16.226 -0.708 1.00 0.00 C ATOM 127 C LEU A 9 -1.048 -15.840 0.753 1.00 0.00 C ATOM 128 O LEU A 9 -1.383 -16.600 1.660 1.00 0.00 O ATOM 129 CB LEU A 9 -2.700 -15.938 -1.123 1.00 0.00 C ATOM 130 CG LEU A 9 -2.914 -15.547 -2.585 1.00 0.00 C ATOM 131 CD1 LEU A 9 -2.418 -16.649 -3.510 1.00 0.00 C ATOM 132 CD2 LEU A 9 -4.382 -15.248 -2.849 1.00 0.00 C ATOM 0 H LEU A 9 -1.548 -18.284 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.582 -15.629 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.300 -16.823 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.084 -15.136 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.338 -14.644 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.578 -16.353 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.354 -16.815 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.966 -17.569 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.515 -14.972 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.979 -16.133 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.706 -14.425 -2.212 1.00 0.00 H new ATOM 144 N GLY A 10 -0.493 -14.652 0.972 1.00 0.00 N ATOM 145 CA GLY A 10 -0.251 -14.184 2.325 1.00 0.00 C ATOM 146 C GLY A 10 1.061 -13.437 2.454 1.00 0.00 C ATOM 147 O GLY A 10 2.049 -13.959 2.973 1.00 0.00 O ATOM 0 H GLY A 10 -0.207 -14.005 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.069 -13.532 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.249 -15.035 3.006 1.00 0.00 H new ATOM 151 N PRO A 11 1.084 -12.185 1.972 1.00 0.00 N ATOM 152 CA PRO A 11 2.280 -11.339 2.024 1.00 0.00 C ATOM 153 C PRO A 11 2.620 -10.903 3.445 1.00 0.00 C ATOM 154 O PRO A 11 3.406 -11.554 4.134 1.00 0.00 O ATOM 155 CB PRO A 11 1.894 -10.128 1.171 1.00 0.00 C ATOM 156 CG PRO A 11 0.407 -10.073 1.242 1.00 0.00 C ATOM 157 CD PRO A 11 -0.056 -11.500 1.341 1.00 0.00 C ATOM 0 HA PRO A 11 3.167 -11.864 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.343 -9.213 1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.237 -10.242 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.079 -9.495 2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.008 -9.588 0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.961 -11.588 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.283 -11.918 0.360 1.00 0.00 H new ATOM 165 N LYS A 12 2.024 -9.798 3.879 1.00 0.00 N ATOM 166 CA LYS A 12 2.262 -9.275 5.219 1.00 0.00 C ATOM 167 C LYS A 12 1.396 -9.997 6.247 1.00 0.00 C ATOM 168 O LYS A 12 0.454 -10.705 5.891 1.00 0.00 O ATOM 169 CB LYS A 12 1.975 -7.772 5.261 1.00 0.00 C ATOM 170 CG LYS A 12 3.165 -6.915 4.868 1.00 0.00 C ATOM 171 CD LYS A 12 3.536 -7.110 3.407 1.00 0.00 C ATOM 172 CE LYS A 12 2.413 -6.664 2.483 1.00 0.00 C ATOM 173 NZ LYS A 12 2.833 -6.678 1.054 1.00 0.00 N ATOM 0 H LYS A 12 1.372 -9.247 3.321 1.00 0.00 H new ATOM 0 HA LYS A 12 3.309 -9.446 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.142 -7.551 4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.658 -7.499 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.934 -5.865 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.019 -7.166 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.440 -6.545 3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.763 -8.160 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.552 -7.319 2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.094 -5.659 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.993 -6.756 0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.340 -5.798 0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.460 -7.491 0.884 1.00 0.00 H new ATOM 187 N TYR A 13 1.722 -9.813 7.521 1.00 0.00 N ATOM 188 CA TYR A 13 0.974 -10.448 8.600 1.00 0.00 C ATOM 189 C TYR A 13 0.778 -9.485 9.767 1.00 0.00 C ATOM 190 O TYR A 13 1.709 -8.790 10.177 1.00 0.00 O ATOM 191 CB TYR A 13 1.699 -11.707 9.079 1.00 0.00 C ATOM 192 CG TYR A 13 1.524 -12.893 8.159 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.364 -13.657 8.190 1.00 0.00 C ATOM 194 CD2 TYR A 13 2.519 -13.250 7.256 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.200 -14.743 7.352 1.00 0.00 C ATOM 196 CE2 TYR A 13 2.363 -14.333 6.413 1.00 0.00 C ATOM 197 CZ TYR A 13 1.202 -15.077 6.465 1.00 0.00 C ATOM 198 OH TYR A 13 1.043 -16.156 5.627 1.00 0.00 O ATOM 0 H TYR A 13 2.499 -9.230 7.832 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.007 -10.726 8.214 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.762 -11.488 9.178 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.334 -11.971 10.072 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.424 -13.397 8.882 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.429 -12.671 7.213 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.708 -15.327 7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.146 -14.596 5.717 1.00 0.00 H new ATOM 0 HH TYR A 13 1.840 -16.254 5.065 1.00 0.00 H new ATOM 208 N VAL A 14 -0.439 -9.450 10.299 1.00 0.00 N ATOM 209 CA VAL A 14 -0.759 -8.575 11.421 1.00 0.00 C ATOM 210 C VAL A 14 -1.699 -9.262 12.404 1.00 0.00 C ATOM 211 O VAL A 14 -2.639 -9.948 12.005 1.00 0.00 O ATOM 212 CB VAL A 14 -1.406 -7.262 10.941 1.00 0.00 C ATOM 213 CG1 VAL A 14 -1.946 -6.470 12.122 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.407 -6.435 10.146 1.00 0.00 C ATOM 0 H VAL A 14 -1.220 -10.018 9.971 1.00 0.00 H new ATOM 0 HA VAL A 14 0.182 -8.347 11.922 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.242 -7.508 10.286 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.399 -5.546 11.764 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.696 -7.063 12.645 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.130 -6.233 12.805 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.881 -5.511 9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.451 -6.197 10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.074 -7.003 9.278 1.00 0.00 H new ATOM 224 N GLY A 15 -1.439 -9.073 13.694 1.00 0.00 N ATOM 225 CA GLY A 15 -2.271 -9.681 14.716 1.00 0.00 C ATOM 226 C GLY A 15 -1.567 -9.779 16.055 1.00 0.00 C ATOM 227 O GLY A 15 -1.616 -10.817 16.717 1.00 0.00 O ATOM 0 H GLY A 15 -0.667 -8.509 14.050 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.184 -9.097 14.831 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.569 -10.678 14.392 1.00 0.00 H new ATOM 231 N LEU A 16 -0.908 -8.697 16.455 1.00 0.00 N ATOM 232 CA LEU A 16 -0.189 -8.665 17.724 1.00 0.00 C ATOM 233 C LEU A 16 -0.683 -7.519 18.601 1.00 0.00 C ATOM 234 O LEU A 16 0.069 -6.596 18.913 1.00 0.00 O ATOM 235 CB LEU A 16 1.314 -8.523 17.477 1.00 0.00 C ATOM 236 CG LEU A 16 2.079 -9.823 17.224 1.00 0.00 C ATOM 237 CD1 LEU A 16 2.145 -10.659 18.493 1.00 0.00 C ATOM 238 CD2 LEU A 16 1.430 -10.612 16.096 1.00 0.00 C ATOM 0 H LEU A 16 -0.857 -7.831 15.919 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.378 -9.604 18.245 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.460 -7.866 16.620 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.758 -8.026 18.339 1.00 0.00 H new ATOM 0 HG LEU A 16 3.097 -9.572 16.926 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.693 -11.580 18.294 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.655 -10.095 19.274 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.135 -10.902 18.822 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.987 -11.534 15.929 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.402 -10.853 16.365 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.436 -10.015 15.184 1.00 0.00 H new ATOM 250 N TRP A 17 -1.948 -7.587 18.997 1.00 0.00 N ATOM 251 CA TRP A 17 -2.542 -6.556 19.840 1.00 0.00 C ATOM 252 C TRP A 17 -1.713 -6.342 21.102 1.00 0.00 C ATOM 253 O TRP A 17 -1.812 -7.111 22.059 1.00 0.00 O ATOM 254 CB TRP A 17 -3.975 -6.936 20.215 1.00 0.00 C ATOM 255 CG TRP A 17 -4.790 -5.776 20.701 1.00 0.00 C ATOM 256 CD1 TRP A 17 -4.860 -4.533 20.142 1.00 0.00 C ATOM 257 CD2 TRP A 17 -5.648 -5.753 21.847 1.00 0.00 C ATOM 258 NE1 TRP A 17 -5.711 -3.737 20.871 1.00 0.00 N ATOM 259 CE2 TRP A 17 -6.208 -4.462 21.922 1.00 0.00 C ATOM 260 CE3 TRP A 17 -6.000 -6.696 22.816 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -7.097 -4.094 22.927 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -6.883 -6.329 23.814 1.00 0.00 C ATOM 263 CH2 TRP A 17 -7.424 -5.037 23.863 1.00 0.00 C ATOM 0 H TRP A 17 -2.583 -8.345 18.748 1.00 0.00 H new ATOM 0 HA TRP A 17 -2.558 -5.624 19.275 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.465 -7.377 19.347 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.949 -7.702 20.990 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.325 -4.221 19.257 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.936 -2.764 20.663 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.589 -7.694 22.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -7.514 -3.099 22.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.161 -7.050 24.569 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.112 -4.781 24.655 1.00 0.00 H new ATOM 274 N ASP A 18 -0.898 -5.293 21.099 1.00 0.00 N ATOM 275 CA ASP A 18 -0.053 -4.977 22.245 1.00 0.00 C ATOM 276 C ASP A 18 0.536 -6.247 22.852 1.00 0.00 C ATOM 277 O ASP A 18 0.207 -6.618 23.979 1.00 0.00 O ATOM 278 CB ASP A 18 -0.854 -4.215 23.301 1.00 0.00 C ATOM 279 CG ASP A 18 -2.101 -4.962 23.732 1.00 0.00 C ATOM 280 OD1 ASP A 18 -3.122 -4.873 23.019 1.00 0.00 O ATOM 281 OD2 ASP A 18 -2.056 -5.636 24.783 1.00 0.00 O ATOM 0 H ASP A 18 -0.804 -4.647 20.315 1.00 0.00 H new ATOM 0 HA ASP A 18 0.767 -4.348 21.899 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.223 -4.035 24.171 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.137 -3.240 22.905 1.00 0.00 H new ATOM 286 N PHE A 19 1.406 -6.909 22.097 1.00 0.00 N ATOM 287 CA PHE A 19 2.039 -8.138 22.560 1.00 0.00 C ATOM 288 C PHE A 19 3.557 -8.049 22.435 1.00 0.00 C ATOM 289 O PHE A 19 4.093 -7.872 21.340 1.00 0.00 O ATOM 290 CB PHE A 19 1.520 -9.336 21.762 1.00 0.00 C ATOM 291 CG PHE A 19 1.557 -10.628 22.528 1.00 0.00 C ATOM 292 CD1 PHE A 19 0.954 -10.729 23.771 1.00 0.00 C ATOM 293 CD2 PHE A 19 2.195 -11.741 22.004 1.00 0.00 C ATOM 294 CE1 PHE A 19 0.986 -11.916 24.478 1.00 0.00 C ATOM 295 CE2 PHE A 19 2.230 -12.931 22.706 1.00 0.00 C ATOM 296 CZ PHE A 19 1.626 -13.018 23.945 1.00 0.00 C ATOM 0 H PHE A 19 1.689 -6.615 21.162 1.00 0.00 H new ATOM 0 HA PHE A 19 1.786 -8.273 23.612 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.495 -9.137 21.449 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.115 -9.443 20.855 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.453 -9.870 24.193 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.670 -11.678 21.036 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.511 -11.982 25.446 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.729 -13.792 22.286 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.654 -13.946 24.496 1.00 0.00 H new ATOM 306 N LYS A 20 4.246 -8.171 23.564 1.00 0.00 N ATOM 307 CA LYS A 20 5.703 -8.105 23.584 1.00 0.00 C ATOM 308 C LYS A 20 6.288 -9.244 24.413 1.00 0.00 C ATOM 309 O LYS A 20 5.951 -9.407 25.585 1.00 0.00 O ATOM 310 CB LYS A 20 6.166 -6.760 24.147 1.00 0.00 C ATOM 311 CG LYS A 20 5.432 -5.568 23.556 1.00 0.00 C ATOM 312 CD LYS A 20 5.776 -5.372 22.089 1.00 0.00 C ATOM 313 CE LYS A 20 7.018 -4.511 21.919 1.00 0.00 C ATOM 314 NZ LYS A 20 6.676 -3.070 21.765 1.00 0.00 N ATOM 0 H LYS A 20 3.819 -8.316 24.479 1.00 0.00 H new ATOM 0 HA LYS A 20 6.060 -8.205 22.559 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.028 -6.761 25.228 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.234 -6.646 23.962 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.357 -5.713 23.662 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.689 -4.668 24.114 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.937 -6.342 21.619 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.935 -4.905 21.576 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.670 -4.639 22.783 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.576 -4.847 21.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.549 -2.516 21.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.074 -2.944 20.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.165 -2.742 22.610 1.00 0.00 H new ATOM 328 N SER A 21 7.168 -10.027 23.796 1.00 0.00 N ATOM 329 CA SER A 21 7.798 -11.152 24.477 1.00 0.00 C ATOM 330 C SER A 21 9.318 -11.033 24.430 1.00 0.00 C ATOM 331 O SER A 21 9.882 -10.517 23.464 1.00 0.00 O ATOM 332 CB SER A 21 7.359 -12.472 23.841 1.00 0.00 C ATOM 333 OG SER A 21 6.050 -12.826 24.252 1.00 0.00 O ATOM 0 H SER A 21 7.460 -9.903 22.827 1.00 0.00 H new ATOM 0 HA SER A 21 7.481 -11.137 25.520 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.391 -12.384 22.755 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.057 -13.262 24.118 1.00 0.00 H new ATOM 0 HG SER A 21 5.433 -12.733 23.496 1.00 0.00 H new ATOM 339 N ARG A 22 9.976 -11.513 25.480 1.00 0.00 N ATOM 340 CA ARG A 22 11.431 -11.460 25.560 1.00 0.00 C ATOM 341 C ARG A 22 12.042 -12.826 25.262 1.00 0.00 C ATOM 342 O ARG A 22 12.944 -13.282 25.966 1.00 0.00 O ATOM 343 CB ARG A 22 11.870 -10.985 26.947 1.00 0.00 C ATOM 344 CG ARG A 22 11.446 -9.560 27.264 1.00 0.00 C ATOM 345 CD ARG A 22 10.089 -9.522 27.948 1.00 0.00 C ATOM 346 NE ARG A 22 10.102 -10.218 29.232 1.00 0.00 N ATOM 347 CZ ARG A 22 9.071 -10.235 30.069 1.00 0.00 C ATOM 348 NH1 ARG A 22 7.950 -9.599 29.759 1.00 0.00 N ATOM 349 NH2 ARG A 22 9.161 -10.891 31.219 1.00 0.00 N ATOM 0 H ARG A 22 9.525 -11.943 26.287 1.00 0.00 H new ATOM 0 HA ARG A 22 11.785 -10.751 24.811 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.454 -11.655 27.700 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.955 -11.057 27.020 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.192 -9.092 27.906 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.407 -8.977 26.344 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.789 -8.485 28.101 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.342 -9.977 27.297 1.00 0.00 H new ATOM 0 HE ARG A 22 10.949 -10.718 29.501 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.877 -9.095 28.875 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.160 -9.614 30.404 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.022 -11.382 31.460 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.369 -10.904 31.862 1.00 0.00 H new ATOM 363 N THR A 23 11.545 -13.475 24.213 1.00 0.00 N ATOM 364 CA THR A 23 12.041 -14.788 23.822 1.00 0.00 C ATOM 365 C THR A 23 12.146 -14.907 22.306 1.00 0.00 C ATOM 366 O THR A 23 11.400 -14.261 21.570 1.00 0.00 O ATOM 367 CB THR A 23 11.130 -15.912 24.352 1.00 0.00 C ATOM 368 OG1 THR A 23 9.769 -15.649 23.996 1.00 0.00 O ATOM 369 CG2 THR A 23 11.249 -16.038 25.863 1.00 0.00 C ATOM 0 H THR A 23 10.799 -13.112 23.619 1.00 0.00 H new ATOM 0 HA THR A 23 13.033 -14.896 24.261 1.00 0.00 H new ATOM 0 HB THR A 23 11.448 -16.851 23.899 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.197 -16.369 24.335 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.597 -16.838 26.214 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.281 -16.268 26.129 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.955 -15.098 26.331 1.00 0.00 H new ATOM 377 N ASP A 24 13.076 -15.737 21.846 1.00 0.00 N ATOM 378 CA ASP A 24 13.278 -15.942 20.416 1.00 0.00 C ATOM 379 C ASP A 24 12.087 -16.668 19.798 1.00 0.00 C ATOM 380 O ASP A 24 11.892 -16.638 18.584 1.00 0.00 O ATOM 381 CB ASP A 24 14.560 -16.738 20.170 1.00 0.00 C ATOM 382 CG ASP A 24 15.796 -16.012 20.664 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.804 -14.763 20.631 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.755 -16.692 21.083 1.00 0.00 O ATOM 0 H ASP A 24 13.702 -16.279 22.442 1.00 0.00 H new ATOM 0 HA ASP A 24 13.370 -14.964 19.943 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.486 -17.704 20.669 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.661 -16.937 19.103 1.00 0.00 H new ATOM 389 N GLU A 25 11.295 -17.321 20.643 1.00 0.00 N ATOM 390 CA GLU A 25 10.124 -18.056 20.178 1.00 0.00 C ATOM 391 C GLU A 25 8.922 -17.128 20.032 1.00 0.00 C ATOM 392 O GLU A 25 7.815 -17.574 19.732 1.00 0.00 O ATOM 393 CB GLU A 25 9.791 -19.193 21.146 1.00 0.00 C ATOM 394 CG GLU A 25 9.659 -18.743 22.592 1.00 0.00 C ATOM 395 CD GLU A 25 8.653 -19.568 23.370 1.00 0.00 C ATOM 396 OE1 GLU A 25 7.454 -19.222 23.342 1.00 0.00 O ATOM 397 OE2 GLU A 25 9.066 -20.560 24.008 1.00 0.00 O ATOM 0 H GLU A 25 11.443 -17.356 21.652 1.00 0.00 H new ATOM 0 HA GLU A 25 10.356 -18.478 19.200 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.858 -19.663 20.834 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.569 -19.954 21.081 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.632 -18.809 23.079 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.360 -17.695 22.617 1.00 0.00 H new ATOM 404 N GLU A 26 9.149 -15.836 20.248 1.00 0.00 N ATOM 405 CA GLU A 26 8.083 -14.846 20.143 1.00 0.00 C ATOM 406 C GLU A 26 8.627 -13.515 19.631 1.00 0.00 C ATOM 407 O GLU A 26 9.818 -13.228 19.757 1.00 0.00 O ATOM 408 CB GLU A 26 7.406 -14.646 21.500 1.00 0.00 C ATOM 409 CG GLU A 26 6.617 -15.855 21.971 1.00 0.00 C ATOM 410 CD GLU A 26 5.643 -15.519 23.084 1.00 0.00 C ATOM 411 OE1 GLU A 26 6.051 -15.564 24.264 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.473 -15.211 22.775 1.00 0.00 O ATOM 0 H GLU A 26 10.060 -15.451 20.496 1.00 0.00 H new ATOM 0 HA GLU A 26 7.346 -15.216 19.430 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.166 -14.407 22.244 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.737 -13.787 21.440 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.069 -16.277 21.129 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.309 -16.623 22.318 1.00 0.00 H new ATOM 419 N LEU A 27 7.745 -12.706 19.053 1.00 0.00 N ATOM 420 CA LEU A 27 8.135 -11.405 18.522 1.00 0.00 C ATOM 421 C LEU A 27 7.953 -10.312 19.570 1.00 0.00 C ATOM 422 O LEU A 27 7.157 -10.454 20.498 1.00 0.00 O ATOM 423 CB LEU A 27 7.313 -11.074 17.275 1.00 0.00 C ATOM 424 CG LEU A 27 7.230 -12.173 16.215 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.669 -11.619 14.915 1.00 0.00 C ATOM 426 CD2 LEU A 27 8.599 -12.796 15.984 1.00 0.00 C ATOM 0 H LEU A 27 6.756 -12.928 18.940 1.00 0.00 H new ATOM 0 HA LEU A 27 9.190 -11.452 18.252 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.300 -10.822 17.588 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.735 -10.182 16.812 1.00 0.00 H new ATOM 0 HG LEU A 27 6.556 -12.949 16.576 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.617 -12.415 14.172 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.670 -11.221 15.090 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.317 -10.823 14.549 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.521 -13.576 15.227 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.295 -12.029 15.644 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.963 -13.230 16.915 1.00 0.00 H new ATOM 438 N SER A 28 8.694 -9.220 19.414 1.00 0.00 N ATOM 439 CA SER A 28 8.615 -8.102 20.347 1.00 0.00 C ATOM 440 C SER A 28 8.256 -6.811 19.619 1.00 0.00 C ATOM 441 O SER A 28 9.132 -6.031 19.245 1.00 0.00 O ATOM 442 CB SER A 28 9.945 -7.932 21.085 1.00 0.00 C ATOM 443 OG SER A 28 11.019 -7.787 20.173 1.00 0.00 O ATOM 0 H SER A 28 9.356 -9.085 18.650 1.00 0.00 H new ATOM 0 HA SER A 28 7.830 -8.320 21.071 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.895 -7.058 21.735 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.122 -8.796 21.726 1.00 0.00 H new ATOM 0 HG SER A 28 10.783 -7.122 19.493 1.00 0.00 H new ATOM 449 N PHE A 29 6.960 -6.591 19.422 1.00 0.00 N ATOM 450 CA PHE A 29 6.482 -5.395 18.738 1.00 0.00 C ATOM 451 C PHE A 29 5.015 -5.132 19.064 1.00 0.00 C ATOM 452 O PHE A 29 4.310 -6.012 19.557 1.00 0.00 O ATOM 453 CB PHE A 29 6.663 -5.541 17.226 1.00 0.00 C ATOM 454 CG PHE A 29 7.274 -4.332 16.576 1.00 0.00 C ATOM 455 CD1 PHE A 29 6.485 -3.259 16.195 1.00 0.00 C ATOM 456 CD2 PHE A 29 8.639 -4.270 16.346 1.00 0.00 C ATOM 457 CE1 PHE A 29 7.045 -2.146 15.598 1.00 0.00 C ATOM 458 CE2 PHE A 29 9.205 -3.159 15.749 1.00 0.00 C ATOM 459 CZ PHE A 29 8.407 -2.096 15.373 1.00 0.00 C ATOM 0 H PHE A 29 6.222 -7.226 19.727 1.00 0.00 H new ATOM 0 HA PHE A 29 7.071 -4.547 19.087 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.292 -6.408 17.025 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.693 -5.738 16.769 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.419 -3.293 16.367 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.268 -5.099 16.636 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.418 -1.316 15.307 1.00 0.00 H new ATOM 0 HE2 PHE A 29 10.271 -3.122 15.577 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.847 -1.228 14.904 1.00 0.00 H new ATOM 469 N ARG A 30 4.563 -3.914 18.785 1.00 0.00 N ATOM 470 CA ARG A 30 3.180 -3.533 19.049 1.00 0.00 C ATOM 471 C ARG A 30 2.313 -3.742 17.812 1.00 0.00 C ATOM 472 O ARG A 30 2.805 -3.717 16.684 1.00 0.00 O ATOM 473 CB ARG A 30 3.108 -2.071 19.494 1.00 0.00 C ATOM 474 CG ARG A 30 3.411 -1.080 18.383 1.00 0.00 C ATOM 475 CD ARG A 30 3.245 0.356 18.855 1.00 0.00 C ATOM 476 NE ARG A 30 4.296 0.750 19.790 1.00 0.00 N ATOM 477 CZ ARG A 30 4.379 1.957 20.336 1.00 0.00 C ATOM 478 NH1 ARG A 30 3.477 2.884 20.044 1.00 0.00 N ATOM 479 NH2 ARG A 30 5.365 2.240 21.178 1.00 0.00 N ATOM 0 H ARG A 30 5.134 -3.174 18.376 1.00 0.00 H new ATOM 0 HA ARG A 30 2.801 -4.169 19.849 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.112 -1.869 19.888 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.812 -1.914 20.311 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.430 -1.231 18.027 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.748 -1.265 17.538 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.257 1.024 17.994 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.272 0.470 19.334 1.00 0.00 H new ATOM 0 HE ARG A 30 5.005 0.060 20.037 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.717 2.670 19.398 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.543 3.811 20.465 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.060 1.530 21.406 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.427 3.168 21.597 1.00 0.00 H new ATOM 493 N ALA A 31 1.018 -3.949 18.031 1.00 0.00 N ATOM 494 CA ALA A 31 0.082 -4.161 16.935 1.00 0.00 C ATOM 495 C ALA A 31 0.204 -3.059 15.888 1.00 0.00 C ATOM 496 O ALA A 31 0.594 -1.934 16.199 1.00 0.00 O ATOM 497 CB ALA A 31 -1.343 -4.234 17.464 1.00 0.00 C ATOM 0 H ALA A 31 0.594 -3.974 18.958 1.00 0.00 H new ATOM 0 HA ALA A 31 0.329 -5.109 16.457 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.032 -4.393 16.634 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.428 -5.061 18.169 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.592 -3.301 17.969 1.00 0.00 H new ATOM 503 N GLY A 32 -0.132 -3.390 14.644 1.00 0.00 N ATOM 504 CA GLY A 32 -0.052 -2.417 13.570 1.00 0.00 C ATOM 505 C GLY A 32 1.159 -2.630 12.684 1.00 0.00 C ATOM 506 O GLY A 32 1.228 -2.097 11.577 1.00 0.00 O ATOM 0 H GLY A 32 -0.458 -4.314 14.361 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.956 -2.474 12.964 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.016 -1.414 13.995 1.00 0.00 H new ATOM 510 N ASP A 33 2.118 -3.410 13.173 1.00 0.00 N ATOM 511 CA ASP A 33 3.333 -3.691 12.418 1.00 0.00 C ATOM 512 C ASP A 33 3.104 -4.823 11.421 1.00 0.00 C ATOM 513 O ASP A 33 2.233 -5.671 11.618 1.00 0.00 O ATOM 514 CB ASP A 33 4.476 -4.055 13.367 1.00 0.00 C ATOM 515 CG ASP A 33 5.828 -4.033 12.681 1.00 0.00 C ATOM 516 OD1 ASP A 33 6.132 -4.992 11.941 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.581 -3.058 12.884 1.00 0.00 O ATOM 0 H ASP A 33 2.077 -3.858 14.088 1.00 0.00 H new ATOM 0 HA ASP A 33 3.603 -2.792 11.864 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.485 -3.357 14.204 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.298 -5.047 13.781 1.00 0.00 H new ATOM 522 N VAL A 34 3.890 -4.829 10.349 1.00 0.00 N ATOM 523 CA VAL A 34 3.773 -5.857 9.321 1.00 0.00 C ATOM 524 C VAL A 34 4.860 -6.915 9.476 1.00 0.00 C ATOM 525 O VAL A 34 6.014 -6.598 9.765 1.00 0.00 O ATOM 526 CB VAL A 34 3.861 -5.249 7.909 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.610 -4.442 7.596 1.00 0.00 C ATOM 528 CG2 VAL A 34 5.108 -4.389 7.775 1.00 0.00 C ATOM 0 H VAL A 34 4.615 -4.134 10.170 1.00 0.00 H new ATOM 0 HA VAL A 34 2.796 -6.323 9.448 1.00 0.00 H new ATOM 0 HB VAL A 34 3.930 -6.062 7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.690 -4.020 6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.736 -5.091 7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.506 -3.636 8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.153 -3.968 6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.073 -3.581 8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.993 -5.001 7.952 1.00 0.00 H new ATOM 538 N PHE A 35 4.484 -8.174 9.280 1.00 0.00 N ATOM 539 CA PHE A 35 5.426 -9.281 9.398 1.00 0.00 C ATOM 540 C PHE A 35 5.381 -10.168 8.158 1.00 0.00 C ATOM 541 O PHE A 35 4.450 -10.086 7.355 1.00 0.00 O ATOM 542 CB PHE A 35 5.116 -10.112 10.645 1.00 0.00 C ATOM 543 CG PHE A 35 4.847 -9.281 11.867 1.00 0.00 C ATOM 544 CD1 PHE A 35 5.671 -8.216 12.193 1.00 0.00 C ATOM 545 CD2 PHE A 35 3.769 -9.565 12.690 1.00 0.00 C ATOM 546 CE1 PHE A 35 5.426 -7.449 13.316 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.518 -8.802 13.815 1.00 0.00 C ATOM 548 CZ PHE A 35 4.348 -7.743 14.129 1.00 0.00 C ATOM 0 H PHE A 35 3.533 -8.454 9.039 1.00 0.00 H new ATOM 0 HA PHE A 35 6.429 -8.864 9.488 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.249 -10.742 10.446 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.955 -10.778 10.846 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.515 -7.982 11.562 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.117 -10.392 12.450 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.076 -6.621 13.558 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.674 -9.033 14.448 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.155 -7.146 15.008 1.00 0.00 H new ATOM 558 N HIS A 36 6.392 -11.017 8.008 1.00 0.00 N ATOM 559 CA HIS A 36 6.469 -11.921 6.865 1.00 0.00 C ATOM 560 C HIS A 36 6.927 -13.310 7.301 1.00 0.00 C ATOM 561 O HIS A 36 7.588 -13.463 8.328 1.00 0.00 O ATOM 562 CB HIS A 36 7.425 -11.364 5.810 1.00 0.00 C ATOM 563 CG HIS A 36 7.188 -11.913 4.437 1.00 0.00 C ATOM 564 ND1 HIS A 36 7.767 -13.079 3.983 1.00 0.00 N ATOM 565 CD2 HIS A 36 6.427 -11.450 3.417 1.00 0.00 C ATOM 566 CE1 HIS A 36 7.375 -13.309 2.742 1.00 0.00 C ATOM 567 NE2 HIS A 36 6.561 -12.335 2.376 1.00 0.00 N ATOM 0 H HIS A 36 7.170 -11.098 8.663 1.00 0.00 H new ATOM 0 HA HIS A 36 5.472 -12.005 6.432 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.328 -10.279 5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.450 -11.584 6.108 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.827 -10.552 3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.670 -14.150 2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.106 -12.254 1.467 1.00 0.00 H new ATOM 575 N VAL A 37 6.571 -14.319 6.513 1.00 0.00 N ATOM 576 CA VAL A 37 6.946 -15.695 6.817 1.00 0.00 C ATOM 577 C VAL A 37 8.116 -16.150 5.952 1.00 0.00 C ATOM 578 O VAL A 37 8.058 -16.080 4.725 1.00 0.00 O ATOM 579 CB VAL A 37 5.762 -16.658 6.607 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.674 -16.401 7.639 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.212 -16.526 5.195 1.00 0.00 C ATOM 0 H VAL A 37 6.023 -14.210 5.659 1.00 0.00 H new ATOM 0 HA VAL A 37 7.243 -15.718 7.866 1.00 0.00 H new ATOM 0 HB VAL A 37 6.119 -17.679 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.846 -17.091 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.079 -16.552 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.316 -15.376 7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.376 -17.213 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.870 -15.504 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.995 -16.766 4.476 1.00 0.00 H new ATOM 591 N ALA A 38 9.178 -16.616 6.602 1.00 0.00 N ATOM 592 CA ALA A 38 10.362 -17.085 5.892 1.00 0.00 C ATOM 593 C ALA A 38 10.316 -18.595 5.686 1.00 0.00 C ATOM 594 O ALA A 38 10.847 -19.114 4.704 1.00 0.00 O ATOM 595 CB ALA A 38 11.621 -16.692 6.650 1.00 0.00 C ATOM 0 H ALA A 38 9.243 -16.679 7.618 1.00 0.00 H new ATOM 0 HA ALA A 38 10.379 -16.611 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.498 -17.048 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.667 -15.607 6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.602 -17.139 7.644 1.00 0.00 H new ATOM 601 N ARG A 39 9.679 -19.296 6.619 1.00 0.00 N ATOM 602 CA ARG A 39 9.566 -20.747 6.540 1.00 0.00 C ATOM 603 C ARG A 39 8.218 -21.218 7.078 1.00 0.00 C ATOM 604 O ARG A 39 7.766 -20.769 8.132 1.00 0.00 O ATOM 605 CB ARG A 39 10.700 -21.412 7.323 1.00 0.00 C ATOM 606 CG ARG A 39 10.719 -22.927 7.200 1.00 0.00 C ATOM 607 CD ARG A 39 11.415 -23.372 5.923 1.00 0.00 C ATOM 608 NE ARG A 39 11.436 -24.826 5.790 1.00 0.00 N ATOM 609 CZ ARG A 39 12.249 -25.617 6.481 1.00 0.00 C ATOM 610 NH1 ARG A 39 13.105 -25.096 7.350 1.00 0.00 N ATOM 611 NH2 ARG A 39 12.208 -26.931 6.304 1.00 0.00 N ATOM 0 H ARG A 39 9.234 -18.882 7.438 1.00 0.00 H new ATOM 0 HA ARG A 39 9.640 -21.035 5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.653 -21.016 6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.610 -21.143 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.228 -23.357 8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.698 -23.307 7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.907 -22.936 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.437 -22.992 5.916 1.00 0.00 H new ATOM 0 HE ARG A 39 10.790 -25.258 5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.140 -24.086 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.728 -25.705 7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.551 -27.335 5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.833 -27.537 6.835 1.00 0.00 H new ATOM 625 N LYS A 40 7.579 -22.125 6.347 1.00 0.00 N ATOM 626 CA LYS A 40 6.283 -22.658 6.750 1.00 0.00 C ATOM 627 C LYS A 40 6.415 -24.096 7.242 1.00 0.00 C ATOM 628 O LYS A 40 6.663 -25.009 6.456 1.00 0.00 O ATOM 629 CB LYS A 40 5.297 -22.596 5.580 1.00 0.00 C ATOM 630 CG LYS A 40 5.871 -23.115 4.273 1.00 0.00 C ATOM 631 CD LYS A 40 4.813 -23.818 3.440 1.00 0.00 C ATOM 632 CE LYS A 40 3.802 -22.831 2.875 1.00 0.00 C ATOM 633 NZ LYS A 40 2.998 -23.429 1.775 1.00 0.00 N ATOM 0 H LYS A 40 7.938 -22.507 5.472 1.00 0.00 H new ATOM 0 HA LYS A 40 5.905 -22.046 7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.409 -23.176 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.975 -21.564 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.291 -22.286 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.689 -23.805 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.291 -24.358 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.298 -24.558 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.136 -22.497 3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.324 -21.949 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.321 -22.725 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.630 -23.725 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.480 -24.256 2.134 1.00 0.00 H new ATOM 647 N GLU A 41 6.246 -24.288 8.546 1.00 0.00 N ATOM 648 CA GLU A 41 6.346 -25.615 9.141 1.00 0.00 C ATOM 649 C GLU A 41 4.970 -26.134 9.548 1.00 0.00 C ATOM 650 O GLU A 41 4.022 -25.363 9.691 1.00 0.00 O ATOM 651 CB GLU A 41 7.272 -25.584 10.359 1.00 0.00 C ATOM 652 CG GLU A 41 8.214 -26.774 10.438 1.00 0.00 C ATOM 653 CD GLU A 41 9.093 -26.904 9.209 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.860 -25.960 8.926 1.00 0.00 O ATOM 655 OE2 GLU A 41 9.014 -27.950 8.531 1.00 0.00 O ATOM 0 H GLU A 41 6.039 -23.542 9.210 1.00 0.00 H new ATOM 0 HA GLU A 41 6.763 -26.290 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.860 -24.667 10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.666 -25.550 11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.844 -26.676 11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.631 -27.687 10.562 1.00 0.00 H new ATOM 662 N GLU A 42 4.869 -27.447 9.732 1.00 0.00 N ATOM 663 CA GLU A 42 3.609 -28.069 10.121 1.00 0.00 C ATOM 664 C GLU A 42 3.285 -27.773 11.583 1.00 0.00 C ATOM 665 O GLU A 42 2.124 -27.813 11.991 1.00 0.00 O ATOM 666 CB GLU A 42 3.671 -29.581 9.897 1.00 0.00 C ATOM 667 CG GLU A 42 4.511 -30.316 10.928 1.00 0.00 C ATOM 668 CD GLU A 42 4.567 -31.810 10.678 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.495 -32.420 10.482 1.00 0.00 O ATOM 670 OE2 GLU A 42 5.684 -32.370 10.678 1.00 0.00 O ATOM 0 H GLU A 42 5.644 -28.100 9.618 1.00 0.00 H new ATOM 0 HA GLU A 42 2.818 -27.649 9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.658 -29.984 9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.077 -29.776 8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.523 -29.912 10.921 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.102 -30.133 11.922 1.00 0.00 H new ATOM 677 N GLN A 43 4.318 -27.477 12.364 1.00 0.00 N ATOM 678 CA GLN A 43 4.143 -27.176 13.780 1.00 0.00 C ATOM 679 C GLN A 43 4.031 -25.672 14.007 1.00 0.00 C ATOM 680 O GLN A 43 2.944 -25.152 14.259 1.00 0.00 O ATOM 681 CB GLN A 43 5.311 -27.740 14.591 1.00 0.00 C ATOM 682 CG GLN A 43 5.087 -29.166 15.068 1.00 0.00 C ATOM 683 CD GLN A 43 4.778 -29.245 16.550 1.00 0.00 C ATOM 684 OE1 GLN A 43 3.600 -29.758 16.883 1.00 0.00 O flip ATOM 685 NE2 GLN A 43 5.589 -28.848 17.387 1.00 0.00 N flip ATOM 0 H GLN A 43 5.285 -27.439 12.041 1.00 0.00 H new ATOM 0 HA GLN A 43 3.218 -27.646 14.114 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.215 -27.707 13.982 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.485 -27.099 15.456 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.265 -29.608 14.505 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.975 -29.760 14.854 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.483 -28.460 17.087 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.366 -28.907 18.381 1.00 0.00 H new ATOM 694 N TRP A 44 5.161 -24.979 13.916 1.00 0.00 N ATOM 695 CA TRP A 44 5.189 -23.534 14.112 1.00 0.00 C ATOM 696 C TRP A 44 5.567 -22.817 12.821 1.00 0.00 C ATOM 697 O TRP A 44 6.185 -23.404 11.932 1.00 0.00 O ATOM 698 CB TRP A 44 6.177 -23.169 15.221 1.00 0.00 C ATOM 699 CG TRP A 44 7.505 -23.850 15.082 1.00 0.00 C ATOM 700 CD1 TRP A 44 8.516 -23.508 14.229 1.00 0.00 C ATOM 701 CD2 TRP A 44 7.964 -24.990 15.815 1.00 0.00 C ATOM 702 NE1 TRP A 44 9.576 -24.368 14.389 1.00 0.00 N ATOM 703 CE2 TRP A 44 9.263 -25.285 15.357 1.00 0.00 C ATOM 704 CE3 TRP A 44 7.405 -25.790 16.817 1.00 0.00 C ATOM 705 CZ2 TRP A 44 10.008 -26.346 15.865 1.00 0.00 C ATOM 706 CZ3 TRP A 44 8.146 -26.842 17.320 1.00 0.00 C ATOM 707 CH2 TRP A 44 9.437 -27.112 16.845 1.00 0.00 C ATOM 0 H TRP A 44 6.069 -25.394 13.708 1.00 0.00 H new ATOM 0 HA TRP A 44 4.190 -23.212 14.405 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.329 -22.090 15.222 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.742 -23.430 16.186 1.00 0.00 H new ATOM 0 HD1 TRP A 44 8.487 -22.684 13.532 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.454 -24.330 13.871 1.00 0.00 H new ATOM 0 HE3 TRP A 44 6.412 -25.589 17.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 11.002 -26.557 15.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 7.723 -27.467 18.093 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.992 -27.940 17.260 1.00 0.00 H new ATOM 718 N TRP A 45 5.192 -21.547 12.723 1.00 0.00 N ATOM 719 CA TRP A 45 5.492 -20.750 11.539 1.00 0.00 C ATOM 720 C TRP A 45 6.629 -19.772 11.815 1.00 0.00 C ATOM 721 O TRP A 45 6.628 -19.077 12.832 1.00 0.00 O ATOM 722 CB TRP A 45 4.247 -19.988 11.082 1.00 0.00 C ATOM 723 CG TRP A 45 3.474 -20.701 10.013 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.861 -20.903 8.719 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.182 -21.302 10.147 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.887 -21.594 8.040 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.847 -21.852 8.894 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.277 -21.433 11.203 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.645 -22.519 8.671 1.00 0.00 C ATOM 730 CZ3 TRP A 45 0.084 -22.094 10.980 1.00 0.00 C ATOM 731 CH2 TRP A 45 -0.223 -22.631 9.723 1.00 0.00 C ATOM 0 H TRP A 45 4.680 -21.047 13.449 1.00 0.00 H new ATOM 0 HA TRP A 45 5.805 -21.428 10.745 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.597 -19.821 11.940 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.545 -19.007 10.712 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.795 -20.569 8.292 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.931 -21.870 7.059 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.506 -21.025 12.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.406 -22.933 7.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -0.624 -22.198 11.789 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.163 -23.143 9.581 1.00 0.00 H new ATOM 742 N TRP A 46 7.595 -19.722 10.906 1.00 0.00 N ATOM 743 CA TRP A 46 8.738 -18.828 11.053 1.00 0.00 C ATOM 744 C TRP A 46 8.385 -17.416 10.600 1.00 0.00 C ATOM 745 O TRP A 46 8.074 -17.189 9.431 1.00 0.00 O ATOM 746 CB TRP A 46 9.929 -19.352 10.249 1.00 0.00 C ATOM 747 CG TRP A 46 10.635 -20.497 10.912 1.00 0.00 C ATOM 748 CD1 TRP A 46 10.138 -21.750 11.131 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.964 -20.491 11.443 1.00 0.00 C ATOM 750 NE1 TRP A 46 11.079 -22.524 11.766 1.00 0.00 N ATOM 751 CE2 TRP A 46 12.208 -21.776 11.968 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.973 -19.528 11.524 1.00 0.00 C ATOM 753 CZ2 TRP A 46 13.418 -22.118 12.566 1.00 0.00 C ATOM 754 CZ3 TRP A 46 14.173 -19.869 12.118 1.00 0.00 C ATOM 755 CH2 TRP A 46 14.388 -21.155 12.632 1.00 0.00 C ATOM 0 H TRP A 46 7.610 -20.290 10.059 1.00 0.00 H new ATOM 0 HA TRP A 46 9.008 -18.795 12.108 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.583 -19.668 9.265 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.638 -18.539 10.092 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.151 -22.083 10.847 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.956 -23.498 12.042 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.818 -18.535 11.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.585 -23.108 12.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.959 -19.132 12.187 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.338 -21.391 13.089 1.00 0.00 H new ATOM 766 N ALA A 47 8.437 -16.469 11.532 1.00 0.00 N ATOM 767 CA ALA A 47 8.125 -15.079 11.226 1.00 0.00 C ATOM 768 C ALA A 47 9.356 -14.192 11.386 1.00 0.00 C ATOM 769 O ALA A 47 10.271 -14.514 12.145 1.00 0.00 O ATOM 770 CB ALA A 47 6.996 -14.583 12.118 1.00 0.00 C ATOM 0 H ALA A 47 8.692 -16.640 12.505 1.00 0.00 H new ATOM 0 HA ALA A 47 7.803 -15.025 10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.773 -13.543 11.879 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.107 -15.192 11.952 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.298 -14.658 13.163 1.00 0.00 H new ATOM 776 N THR A 48 9.372 -13.075 10.667 1.00 0.00 N ATOM 777 CA THR A 48 10.491 -12.143 10.727 1.00 0.00 C ATOM 778 C THR A 48 10.004 -10.710 10.910 1.00 0.00 C ATOM 779 O THR A 48 9.210 -10.207 10.114 1.00 0.00 O ATOM 780 CB THR A 48 11.356 -12.221 9.455 1.00 0.00 C ATOM 781 OG1 THR A 48 11.689 -13.584 9.172 1.00 0.00 O ATOM 782 CG2 THR A 48 12.630 -11.405 9.617 1.00 0.00 C ATOM 0 H THR A 48 8.622 -12.793 10.036 1.00 0.00 H new ATOM 0 HA THR A 48 11.096 -12.431 11.587 1.00 0.00 H new ATOM 0 HB THR A 48 10.782 -11.808 8.625 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.238 -13.625 8.361 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.225 -11.475 8.706 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.373 -10.362 9.803 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.206 -11.793 10.457 1.00 0.00 H new ATOM 790 N LEU A 49 10.484 -10.057 11.963 1.00 0.00 N ATOM 791 CA LEU A 49 10.098 -8.680 12.250 1.00 0.00 C ATOM 792 C LEU A 49 10.994 -7.696 11.505 1.00 0.00 C ATOM 793 O LEU A 49 12.196 -7.616 11.764 1.00 0.00 O ATOM 794 CB LEU A 49 10.168 -8.413 13.755 1.00 0.00 C ATOM 795 CG LEU A 49 8.882 -7.903 14.407 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.956 -8.050 15.919 1.00 0.00 C ATOM 797 CD2 LEU A 49 8.627 -6.454 14.021 1.00 0.00 C ATOM 0 H LEU A 49 11.141 -10.459 12.632 1.00 0.00 H new ATOM 0 HA LEU A 49 9.072 -8.538 11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.463 -9.336 14.254 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.958 -7.685 13.938 1.00 0.00 H new ATOM 0 HG LEU A 49 8.049 -8.506 14.045 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.032 -7.682 16.366 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.090 -9.101 16.176 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.798 -7.473 16.300 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.708 -6.108 14.494 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.461 -5.837 14.354 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.529 -6.378 12.938 1.00 0.00 H new ATOM 809 N LEU A 50 10.402 -6.948 10.581 1.00 0.00 N ATOM 810 CA LEU A 50 11.147 -5.967 9.799 1.00 0.00 C ATOM 811 C LEU A 50 10.716 -4.547 10.154 1.00 0.00 C ATOM 812 O LEU A 50 9.652 -4.339 10.739 1.00 0.00 O ATOM 813 CB LEU A 50 10.942 -6.215 8.304 1.00 0.00 C ATOM 814 CG LEU A 50 10.482 -7.620 7.913 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.218 -7.699 6.418 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.518 -8.655 8.329 1.00 0.00 C ATOM 0 H LEU A 50 9.409 -7.002 10.355 1.00 0.00 H new ATOM 0 HA LEU A 50 12.205 -6.077 10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.208 -5.498 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.880 -6.005 7.789 1.00 0.00 H new ATOM 0 HG LEU A 50 9.551 -7.836 8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.892 -8.706 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.440 -6.985 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.133 -7.463 5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.174 -9.649 8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.465 -8.442 7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.658 -8.616 9.409 1.00 0.00 H new ATOM 828 N ASP A 51 11.546 -3.575 9.795 1.00 0.00 N ATOM 829 CA ASP A 51 11.250 -2.174 10.073 1.00 0.00 C ATOM 830 C ASP A 51 10.249 -1.621 9.064 1.00 0.00 C ATOM 831 O ASP A 51 9.809 -2.329 8.159 1.00 0.00 O ATOM 832 CB ASP A 51 12.534 -1.344 10.045 1.00 0.00 C ATOM 833 CG ASP A 51 12.485 -0.170 11.003 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.225 -0.394 12.204 1.00 0.00 O ATOM 835 OD2 ASP A 51 12.707 0.973 10.551 1.00 0.00 O ATOM 0 H ASP A 51 12.430 -3.731 9.310 1.00 0.00 H new ATOM 0 HA ASP A 51 10.809 -2.111 11.068 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.381 -1.981 10.299 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.704 -0.977 9.033 1.00 0.00 H new ATOM 840 N GLU A 52 9.893 -0.350 9.227 1.00 0.00 N ATOM 841 CA GLU A 52 8.942 0.297 8.331 1.00 0.00 C ATOM 842 C GLU A 52 9.439 0.256 6.889 1.00 0.00 C ATOM 843 O GLU A 52 8.646 0.215 5.949 1.00 0.00 O ATOM 844 CB GLU A 52 8.708 1.747 8.760 1.00 0.00 C ATOM 845 CG GLU A 52 9.916 2.646 8.551 1.00 0.00 C ATOM 846 CD GLU A 52 9.802 3.960 9.300 1.00 0.00 C ATOM 847 OE1 GLU A 52 8.992 4.813 8.881 1.00 0.00 O ATOM 848 OE2 GLU A 52 10.522 4.134 10.305 1.00 0.00 O ATOM 0 H GLU A 52 10.249 0.251 9.970 1.00 0.00 H new ATOM 0 HA GLU A 52 8.000 -0.248 8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.864 2.151 8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.430 1.765 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.815 2.123 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.034 2.848 7.486 1.00 0.00 H new ATOM 855 N ALA A 53 10.757 0.268 6.723 1.00 0.00 N ATOM 856 CA ALA A 53 11.361 0.231 5.396 1.00 0.00 C ATOM 857 C ALA A 53 11.367 -1.187 4.835 1.00 0.00 C ATOM 858 O ALA A 53 11.517 -1.388 3.631 1.00 0.00 O ATOM 859 CB ALA A 53 12.776 0.787 5.445 1.00 0.00 C ATOM 0 H ALA A 53 11.428 0.303 7.491 1.00 0.00 H new ATOM 0 HA ALA A 53 10.760 0.854 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.215 0.753 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.750 1.819 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.379 0.188 6.127 1.00 0.00 H new ATOM 865 N GLY A 54 11.202 -2.168 5.718 1.00 0.00 N ATOM 866 CA GLY A 54 11.192 -3.556 5.291 1.00 0.00 C ATOM 867 C GLY A 54 12.433 -4.307 5.733 1.00 0.00 C ATOM 868 O GLY A 54 12.489 -5.532 5.643 1.00 0.00 O ATOM 0 H GLY A 54 11.075 -2.027 6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.309 -4.051 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.113 -3.598 4.205 1.00 0.00 H new ATOM 872 N GLY A 55 13.431 -3.569 6.209 1.00 0.00 N ATOM 873 CA GLY A 55 14.664 -4.190 6.658 1.00 0.00 C ATOM 874 C GLY A 55 14.464 -5.055 7.886 1.00 0.00 C ATOM 875 O GLY A 55 13.958 -4.588 8.906 1.00 0.00 O ATOM 0 H GLY A 55 13.408 -2.553 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.075 -4.798 5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.398 -3.415 6.879 1.00 0.00 H new ATOM 879 N ALA A 56 14.860 -6.320 7.789 1.00 0.00 N ATOM 880 CA ALA A 56 14.722 -7.252 8.901 1.00 0.00 C ATOM 881 C ALA A 56 15.326 -6.676 10.178 1.00 0.00 C ATOM 882 O ALA A 56 16.183 -5.794 10.128 1.00 0.00 O ATOM 883 CB ALA A 56 15.375 -8.582 8.559 1.00 0.00 C ATOM 0 H ALA A 56 15.279 -6.723 6.951 1.00 0.00 H new ATOM 0 HA ALA A 56 13.659 -7.417 9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.264 -9.268 9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.895 -9.007 7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.434 -8.426 8.356 1.00 0.00 H new ATOM 889 N VAL A 57 14.873 -7.181 11.321 1.00 0.00 N ATOM 890 CA VAL A 57 15.369 -6.717 12.611 1.00 0.00 C ATOM 891 C VAL A 57 15.442 -7.862 13.615 1.00 0.00 C ATOM 892 O VAL A 57 16.510 -8.170 14.143 1.00 0.00 O ATOM 893 CB VAL A 57 14.478 -5.600 13.186 1.00 0.00 C ATOM 894 CG1 VAL A 57 15.125 -4.980 14.415 1.00 0.00 C ATOM 895 CG2 VAL A 57 14.200 -4.543 12.129 1.00 0.00 C ATOM 0 H VAL A 57 14.163 -7.911 11.380 1.00 0.00 H new ATOM 0 HA VAL A 57 16.370 -6.321 12.442 1.00 0.00 H new ATOM 0 HB VAL A 57 13.526 -6.038 13.488 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.481 -4.193 14.807 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.267 -5.746 15.177 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.091 -4.556 14.143 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.569 -3.762 12.553 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.141 -4.107 11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.690 -5.001 11.282 1.00 0.00 H new ATOM 905 N ALA A 58 14.299 -8.489 13.874 1.00 0.00 N ATOM 906 CA ALA A 58 14.235 -9.602 14.813 1.00 0.00 C ATOM 907 C ALA A 58 13.717 -10.865 14.133 1.00 0.00 C ATOM 908 O ALA A 58 13.158 -10.806 13.038 1.00 0.00 O ATOM 909 CB ALA A 58 13.353 -9.240 16.000 1.00 0.00 C ATOM 0 H ALA A 58 13.405 -8.245 13.447 1.00 0.00 H new ATOM 0 HA ALA A 58 15.245 -9.802 15.171 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.314 -10.080 16.694 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.766 -8.369 16.508 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.347 -9.012 15.649 1.00 0.00 H new ATOM 915 N GLN A 59 13.909 -12.005 14.789 1.00 0.00 N ATOM 916 CA GLN A 59 13.462 -13.282 14.245 1.00 0.00 C ATOM 917 C GLN A 59 12.727 -14.097 15.304 1.00 0.00 C ATOM 918 O GLN A 59 13.225 -14.287 16.413 1.00 0.00 O ATOM 919 CB GLN A 59 14.654 -14.077 13.709 1.00 0.00 C ATOM 920 CG GLN A 59 15.476 -13.320 12.679 1.00 0.00 C ATOM 921 CD GLN A 59 16.742 -14.056 12.288 1.00 0.00 C ATOM 922 OE1 GLN A 59 17.631 -14.269 13.113 1.00 0.00 O ATOM 923 NE2 GLN A 59 16.832 -14.450 11.023 1.00 0.00 N ATOM 0 H GLN A 59 14.370 -12.070 15.696 1.00 0.00 H new ATOM 0 HA GLN A 59 12.772 -13.078 13.426 1.00 0.00 H new ATOM 0 HB2 GLN A 59 15.299 -14.356 14.543 1.00 0.00 H new ATOM 0 HB3 GLN A 59 14.291 -15.003 13.263 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.870 -13.150 11.789 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.738 -12.340 13.078 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.072 -14.253 10.372 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.661 -14.950 10.702 1.00 0.00 H new ATOM 932 N GLY A 60 11.537 -14.577 14.954 1.00 0.00 N ATOM 933 CA GLY A 60 10.752 -15.366 15.886 1.00 0.00 C ATOM 934 C GLY A 60 9.701 -16.207 15.191 1.00 0.00 C ATOM 935 O GLY A 60 9.244 -15.866 14.100 1.00 0.00 O ATOM 0 H GLY A 60 11.103 -14.434 14.042 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.416 -16.017 16.455 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.267 -14.702 16.601 1.00 0.00 H new ATOM 939 N TYR A 61 9.316 -17.311 15.822 1.00 0.00 N ATOM 940 CA TYR A 61 8.315 -18.207 15.255 1.00 0.00 C ATOM 941 C TYR A 61 7.065 -18.249 16.129 1.00 0.00 C ATOM 942 O TYR A 61 7.152 -18.349 17.353 1.00 0.00 O ATOM 943 CB TYR A 61 8.890 -19.615 15.099 1.00 0.00 C ATOM 944 CG TYR A 61 9.322 -20.241 16.406 1.00 0.00 C ATOM 945 CD1 TYR A 61 8.419 -20.946 17.193 1.00 0.00 C ATOM 946 CD2 TYR A 61 10.632 -20.126 16.854 1.00 0.00 C ATOM 947 CE1 TYR A 61 8.809 -21.519 18.388 1.00 0.00 C ATOM 948 CE2 TYR A 61 11.031 -20.697 18.047 1.00 0.00 C ATOM 949 CZ TYR A 61 10.116 -21.392 18.811 1.00 0.00 C ATOM 950 OH TYR A 61 10.510 -21.961 20.000 1.00 0.00 O ATOM 0 H TYR A 61 9.682 -17.607 16.727 1.00 0.00 H new ATOM 0 HA TYR A 61 8.037 -17.825 14.273 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.142 -20.254 14.630 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.745 -19.576 14.424 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.395 -21.048 16.865 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.350 -19.581 16.260 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.095 -22.063 18.988 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.054 -20.600 18.380 1.00 0.00 H new ATOM 0 HH TYR A 61 11.461 -21.780 20.150 1.00 0.00 H new ATOM 960 N VAL A 62 5.902 -18.172 15.490 1.00 0.00 N ATOM 961 CA VAL A 62 4.633 -18.204 16.207 1.00 0.00 C ATOM 962 C VAL A 62 3.519 -18.764 15.330 1.00 0.00 C ATOM 963 O VAL A 62 3.590 -18.737 14.101 1.00 0.00 O ATOM 964 CB VAL A 62 4.229 -16.799 16.695 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.985 -16.437 17.964 1.00 0.00 C ATOM 966 CG2 VAL A 62 4.473 -15.767 15.605 1.00 0.00 C ATOM 0 H VAL A 62 5.812 -18.087 14.477 1.00 0.00 H new ATOM 0 HA VAL A 62 4.774 -18.855 17.070 1.00 0.00 H new ATOM 0 HB VAL A 62 3.164 -16.805 16.925 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.687 -15.442 18.294 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.754 -17.162 18.744 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.057 -16.447 17.765 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.182 -14.781 15.966 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.531 -15.760 15.341 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.881 -16.020 14.725 1.00 0.00 H new ATOM 976 N PRO A 63 2.464 -19.286 15.974 1.00 0.00 N ATOM 977 CA PRO A 63 1.314 -19.863 15.271 1.00 0.00 C ATOM 978 C PRO A 63 0.480 -18.804 14.558 1.00 0.00 C ATOM 979 O PRO A 63 0.362 -17.672 15.028 1.00 0.00 O ATOM 980 CB PRO A 63 0.504 -20.515 16.394 1.00 0.00 C ATOM 981 CG PRO A 63 0.876 -19.756 17.621 1.00 0.00 C ATOM 982 CD PRO A 63 2.313 -19.352 17.437 1.00 0.00 C ATOM 0 HA PRO A 63 1.620 -20.558 14.489 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.566 -20.451 16.198 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.747 -21.573 16.494 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.238 -18.882 17.748 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.754 -20.371 18.513 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.524 -18.391 17.906 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.995 -20.079 17.879 1.00 0.00 H new ATOM 990 N HIS A 64 -0.098 -19.179 13.422 1.00 0.00 N ATOM 991 CA HIS A 64 -0.923 -18.262 12.644 1.00 0.00 C ATOM 992 C HIS A 64 -2.164 -17.847 13.430 1.00 0.00 C ATOM 993 O HIS A 64 -2.823 -16.864 13.095 1.00 0.00 O ATOM 994 CB HIS A 64 -1.336 -18.909 11.322 1.00 0.00 C ATOM 995 CG HIS A 64 -2.181 -18.022 10.459 1.00 0.00 C ATOM 996 ND1 HIS A 64 -3.503 -18.289 10.173 1.00 0.00 N ATOM 997 CD2 HIS A 64 -1.885 -16.867 9.820 1.00 0.00 C ATOM 998 CE1 HIS A 64 -3.983 -17.337 9.394 1.00 0.00 C ATOM 999 NE2 HIS A 64 -3.022 -16.461 9.165 1.00 0.00 N ATOM 0 H HIS A 64 -0.010 -20.112 13.019 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.332 -17.371 12.434 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.440 -19.192 10.770 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.885 -19.827 11.532 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.932 -16.359 9.824 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.991 -17.284 9.009 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.110 -15.620 8.595 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.475 -18.604 14.477 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.637 -18.316 15.310 1.00 0.00 C ATOM 1009 C ASN A 65 -3.516 -16.940 15.956 1.00 0.00 C ATOM 1010 O ASN A 65 -4.507 -16.360 16.399 1.00 0.00 O ATOM 1011 CB ASN A 65 -3.795 -19.388 16.391 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.202 -19.440 16.952 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -5.422 -19.165 18.132 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.163 -19.795 16.107 1.00 0.00 N ATOM 0 H ASN A 65 -1.939 -19.421 14.769 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.520 -18.321 14.671 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.537 -20.361 15.974 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.091 -19.191 17.200 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.130 -19.848 16.428 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.934 -20.014 15.137 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.293 -16.422 16.006 1.00 0.00 N ATOM 1022 CA TYR A 66 -2.041 -15.114 16.599 1.00 0.00 C ATOM 1023 C TYR A 66 -2.039 -14.023 15.533 1.00 0.00 C ATOM 1024 O TYR A 66 -2.865 -13.110 15.560 1.00 0.00 O ATOM 1025 CB TYR A 66 -0.704 -15.118 17.344 1.00 0.00 C ATOM 1026 CG TYR A 66 -0.760 -14.437 18.693 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -1.379 -15.048 19.776 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -0.194 -13.183 18.883 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -1.433 -14.429 21.010 1.00 0.00 C ATOM 1030 CE2 TYR A 66 -0.242 -12.557 20.114 1.00 0.00 C ATOM 1031 CZ TYR A 66 -0.863 -13.184 21.174 1.00 0.00 C ATOM 1032 OH TYR A 66 -0.914 -12.565 22.402 1.00 0.00 O ATOM 0 H TYR A 66 -1.461 -16.888 15.643 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.843 -14.903 17.306 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.377 -16.149 17.480 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.047 -14.624 16.728 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.826 -16.023 19.651 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.292 -12.689 18.055 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.919 -14.917 21.842 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.204 -11.582 20.245 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.011 -12.291 22.668 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.104 -14.124 14.595 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.992 -13.147 13.517 1.00 0.00 C ATOM 1044 C LEU A 67 -1.775 -13.600 12.289 1.00 0.00 C ATOM 1045 O LEU A 67 -1.784 -14.782 11.948 1.00 0.00 O ATOM 1046 CB LEU A 67 0.476 -12.929 13.149 1.00 0.00 C ATOM 1047 CG LEU A 67 1.273 -14.185 12.794 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.504 -14.264 11.293 1.00 0.00 C ATOM 1049 CD2 LEU A 67 2.598 -14.206 13.542 1.00 0.00 C ATOM 0 H LEU A 67 -0.412 -14.873 14.559 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.415 -12.206 13.868 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.520 -12.244 12.302 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.970 -12.434 13.985 1.00 0.00 H new ATOM 0 HG LEU A 67 0.694 -15.057 13.098 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.073 -15.164 11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.544 -14.298 10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.061 -13.387 10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.151 -15.107 13.277 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.183 -13.328 13.270 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.410 -14.199 14.616 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.428 -12.650 11.626 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.209 -12.951 10.433 1.00 0.00 C ATOM 1063 C ALA A 68 -2.899 -11.965 9.312 1.00 0.00 C ATOM 1064 O ALA A 68 -2.732 -10.770 9.553 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.695 -12.934 10.758 1.00 0.00 C ATOM 0 H ALA A 68 -2.431 -11.666 11.895 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.935 -13.949 10.090 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.267 -13.160 9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.909 -13.682 11.522 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.975 -11.948 11.127 1.00 0.00 H new ATOM 1071 N GLU A 69 -2.824 -12.475 8.086 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.532 -11.638 6.928 1.00 0.00 C ATOM 1073 C GLU A 69 -3.541 -10.499 6.813 1.00 0.00 C ATOM 1074 O GLU A 69 -4.750 -10.726 6.787 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.545 -12.477 5.649 1.00 0.00 C ATOM 1076 CG GLU A 69 -3.894 -13.110 5.349 1.00 0.00 C ATOM 1077 CD GLU A 69 -3.791 -14.268 4.376 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -3.657 -14.012 3.161 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -3.846 -15.430 4.829 1.00 0.00 O ATOM 0 H GLU A 69 -2.961 -13.462 7.870 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.539 -11.209 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.254 -11.847 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.795 -13.263 5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.342 -13.460 6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.563 -12.354 4.938 1.00 0.00 H new ATOM 1086 N ARG A 70 -3.034 -9.272 6.744 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.889 -8.097 6.633 1.00 0.00 C ATOM 1088 C ARG A 70 -3.569 -7.309 5.367 1.00 0.00 C ATOM 1089 O ARG A 70 -3.303 -6.108 5.422 1.00 0.00 O ATOM 1090 CB ARG A 70 -3.721 -7.200 7.861 1.00 0.00 C ATOM 1091 CG ARG A 70 -4.537 -7.652 9.062 1.00 0.00 C ATOM 1092 CD ARG A 70 -6.013 -7.334 8.884 1.00 0.00 C ATOM 1093 NE ARG A 70 -6.742 -8.443 8.276 1.00 0.00 N ATOM 1094 CZ ARG A 70 -8.033 -8.392 7.964 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -8.732 -7.291 8.202 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -8.626 -9.443 7.413 1.00 0.00 N ATOM 0 H ARG A 70 -2.035 -9.066 6.763 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.924 -8.436 6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.667 -7.172 8.138 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.009 -6.182 7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.410 -8.725 9.207 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.164 -7.162 9.962 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.453 -7.099 9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.120 -6.445 8.262 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.233 -9.305 8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.279 -6.481 8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.723 -7.254 7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.091 -10.292 7.228 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.617 -9.402 7.174 1.00 0.00 H new ATOM 1110 N GLU A 71 -3.596 -7.993 4.227 1.00 0.00 N ATOM 1111 CA GLU A 71 -3.307 -7.356 2.948 1.00 0.00 C ATOM 1112 C GLU A 71 -4.161 -6.106 2.757 1.00 0.00 C ATOM 1113 O GLU A 71 -5.177 -5.925 3.429 1.00 0.00 O ATOM 1114 CB GLU A 71 -3.553 -8.336 1.798 1.00 0.00 C ATOM 1115 CG GLU A 71 -4.869 -9.087 1.910 1.00 0.00 C ATOM 1116 CD GLU A 71 -5.171 -9.921 0.680 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -4.954 -9.421 -0.443 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -5.624 -11.074 0.841 1.00 0.00 O ATOM 0 H GLU A 71 -3.815 -8.987 4.164 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.258 -7.061 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.536 -7.789 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.735 -9.056 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.840 -9.735 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.678 -8.374 2.068 1.00 0.00 H new ATOM 1125 N THR A 72 -3.741 -5.245 1.835 1.00 0.00 N ATOM 1126 CA THR A 72 -4.465 -4.011 1.556 1.00 0.00 C ATOM 1127 C THR A 72 -4.844 -3.917 0.083 1.00 0.00 C ATOM 1128 O THR A 72 -4.139 -4.433 -0.785 1.00 0.00 O ATOM 1129 CB THR A 72 -3.634 -2.772 1.941 1.00 0.00 C ATOM 1130 OG1 THR A 72 -4.309 -1.580 1.523 1.00 0.00 O ATOM 1131 CG2 THR A 72 -2.253 -2.829 1.304 1.00 0.00 C ATOM 0 H THR A 72 -2.903 -5.380 1.269 1.00 0.00 H new ATOM 0 HA THR A 72 -5.372 -4.033 2.161 1.00 0.00 H new ATOM 0 HB THR A 72 -3.518 -2.761 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.775 -0.797 1.773 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.684 -1.944 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.731 -3.722 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.354 -2.861 0.219 1.00 0.00 H new TER 1139 THR A 72