USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 GLN : amide:sc= -2.63! K(o=-5.5!,f=-0.35) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -2.85! K(o=-5.5!,f=-0.35) USER MOD Single : A 1 SER N :NH3+ -155:sc= 1.53 (180deg=1.22) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0307 K(o=-0.031,f=-2.2!) USER MOD Single : A 10 LYS NZ :NH3+ 152:sc= -0.0654 (180deg=-0.433) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 81:sc= 0.328 USER MOD Single : A 16 GLN : amide:sc= -0.0316 K(o=-0.032,f=-1.9!) USER MOD Single : A 19 GLN : amide:sc= -1.32 K(o=-1.3,f=-3.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.125 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0498 X(o=-0.05,f=-0.05) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3.2!) USER MOD Single : A 38 SER OG : rot 53:sc= 1.25 USER MOD Single : A 42 GLN : amide:sc= 0.618 K(o=0.62,f=-1.2) USER MOD Single : A 44 HIS : no HD1:sc= -8! C(o=-8!,f=-17!) USER MOD Single : A 45 SER OG : rot 50:sc= -4.32! USER MOD Single : A 49 LYS NZ :NH3+ 152:sc=-0.00109 (180deg=-0.683) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.566 -4.765 -1.757 1.00 0.00 N ATOM 2 CA SER A 1 15.246 -4.140 -2.002 1.00 0.00 C ATOM 3 C SER A 1 14.507 -3.957 -0.684 1.00 0.00 C ATOM 4 O SER A 1 14.383 -4.881 0.094 1.00 0.00 O ATOM 5 CB SER A 1 14.403 -5.040 -2.920 1.00 0.00 C ATOM 6 OG SER A 1 14.580 -4.480 -4.214 1.00 0.00 O ATOM 0 H1 SER A 1 17.217 -4.514 -2.528 1.00 0.00 H new ATOM 0 H2 SER A 1 16.950 -4.422 -0.853 1.00 0.00 H new ATOM 0 H3 SER A 1 16.459 -5.799 -1.717 1.00 0.00 H new ATOM 0 HA SER A 1 15.402 -3.171 -2.476 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.742 -6.075 -2.884 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.354 -5.038 -2.625 1.00 0.00 H new ATOM 0 HG SER A 1 14.071 -5.002 -4.869 1.00 0.00 H new ATOM 14 N TYR A 2 14.028 -2.765 -0.456 1.00 0.00 N ATOM 15 CA TYR A 2 13.296 -2.508 0.808 1.00 0.00 C ATOM 16 C TYR A 2 12.197 -1.465 0.605 1.00 0.00 C ATOM 17 O TYR A 2 12.222 -0.712 -0.350 1.00 0.00 O ATOM 18 CB TYR A 2 14.304 -1.976 1.841 1.00 0.00 C ATOM 19 CG TYR A 2 15.671 -2.625 1.591 1.00 0.00 C ATOM 20 CD1 TYR A 2 16.454 -2.221 0.527 1.00 0.00 C ATOM 21 CD2 TYR A 2 16.136 -3.628 2.418 1.00 0.00 C ATOM 22 CE1 TYR A 2 17.680 -2.811 0.293 1.00 0.00 C ATOM 23 CE2 TYR A 2 17.364 -4.218 2.183 1.00 0.00 C ATOM 24 CZ TYR A 2 18.144 -3.814 1.120 1.00 0.00 C ATOM 25 OH TYR A 2 19.369 -4.405 0.885 1.00 0.00 O ATOM 0 H TYR A 2 14.112 -1.967 -1.086 1.00 0.00 H new ATOM 0 HA TYR A 2 12.831 -3.433 1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 2 14.383 -0.892 1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 2 13.961 -2.200 2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 2 16.104 -1.437 -0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 2 15.536 -3.954 3.255 1.00 0.00 H new ATOM 0 HE1 TYR A 2 18.281 -2.485 -0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 2 17.715 -5.002 2.837 1.00 0.00 H new ATOM 0 HH TYR A 2 19.537 -5.090 1.565 1.00 0.00 H new ATOM 35 N GLN A 3 11.250 -1.444 1.511 1.00 0.00 N ATOM 36 CA GLN A 3 10.136 -0.461 1.396 1.00 0.00 C ATOM 37 C GLN A 3 10.366 0.730 2.321 1.00 0.00 C ATOM 38 O GLN A 3 10.167 0.637 3.516 1.00 0.00 O ATOM 39 CB GLN A 3 8.834 -1.162 1.811 1.00 0.00 C ATOM 40 CG GLN A 3 8.248 -1.890 0.601 1.00 0.00 C ATOM 41 CD GLN A 3 7.177 -2.876 1.072 1.00 0.00 C ATOM 42 OE1 GLN A 3 7.069 -3.177 2.244 1.00 0.00 O ATOM 43 NE2 GLN A 3 6.366 -3.399 0.195 1.00 0.00 N ATOM 0 H GLN A 3 11.203 -2.063 2.320 1.00 0.00 H new ATOM 0 HA GLN A 3 10.081 -0.100 0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.029 -1.869 2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.120 -0.432 2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.816 -1.172 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.035 -2.420 0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.451 -3.150 -0.791 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.646 -4.057 0.495 1.00 0.00 H new ATOM 52 N VAL A 4 10.781 1.833 1.746 1.00 0.00 N ATOM 53 CA VAL A 4 11.033 3.044 2.561 1.00 0.00 C ATOM 54 C VAL A 4 9.908 4.070 2.409 1.00 0.00 C ATOM 55 O VAL A 4 9.987 5.155 2.951 1.00 0.00 O ATOM 56 CB VAL A 4 12.338 3.672 2.059 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.427 2.602 2.008 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.120 4.233 0.652 1.00 0.00 C ATOM 0 H VAL A 4 10.954 1.939 0.746 1.00 0.00 H new ATOM 0 HA VAL A 4 11.091 2.761 3.612 1.00 0.00 H new ATOM 0 HB VAL A 4 12.641 4.473 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.357 3.046 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.580 2.191 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.122 1.805 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.046 4.681 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.821 3.427 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.337 4.991 0.680 1.00 0.00 H new ATOM 68 N ILE A 5 8.881 3.704 1.678 1.00 0.00 N ATOM 69 CA ILE A 5 7.743 4.638 1.475 1.00 0.00 C ATOM 70 C ILE A 5 6.482 4.166 2.203 1.00 0.00 C ATOM 71 O ILE A 5 6.424 3.063 2.706 1.00 0.00 O ATOM 72 CB ILE A 5 7.447 4.681 -0.015 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.355 3.264 -0.559 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.602 5.407 -0.727 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.123 3.153 -1.459 1.00 0.00 C ATOM 0 H ILE A 5 8.788 2.799 1.217 1.00 0.00 H new ATOM 0 HA ILE A 5 8.015 5.616 1.871 1.00 0.00 H new ATOM 0 HB ILE A 5 6.504 5.201 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.255 3.018 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.287 2.550 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.403 5.445 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.689 6.421 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.534 4.869 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.050 2.139 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.228 3.383 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.212 3.858 -2.286 1.00 0.00 H new ATOM 87 N CYS A 6 5.495 5.028 2.238 1.00 0.00 N ATOM 88 CA CYS A 6 4.221 4.673 2.918 1.00 0.00 C ATOM 89 C CYS A 6 3.042 5.257 2.147 1.00 0.00 C ATOM 90 O CYS A 6 2.903 6.457 2.050 1.00 0.00 O ATOM 91 CB CYS A 6 4.235 5.279 4.332 1.00 0.00 C ATOM 92 SG CYS A 6 4.495 4.146 5.719 1.00 0.00 S ATOM 0 H CYS A 6 5.521 5.960 1.824 1.00 0.00 H new ATOM 0 HA CYS A 6 4.122 3.589 2.965 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.016 6.038 4.366 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.286 5.791 4.489 1.00 0.00 H new ATOM 97 N ARG A 7 2.212 4.399 1.618 1.00 0.00 N ATOM 98 CA ARG A 7 1.044 4.896 0.852 1.00 0.00 C ATOM 99 C ARG A 7 -0.173 5.125 1.744 1.00 0.00 C ATOM 100 O ARG A 7 -0.714 4.199 2.316 1.00 0.00 O ATOM 101 CB ARG A 7 0.689 3.834 -0.194 1.00 0.00 C ATOM 102 CG ARG A 7 -0.389 4.388 -1.132 1.00 0.00 C ATOM 103 CD ARG A 7 -0.505 3.479 -2.361 1.00 0.00 C ATOM 104 NE ARG A 7 -0.462 2.056 -1.919 1.00 0.00 N ATOM 105 CZ ARG A 7 -0.282 1.114 -2.807 1.00 0.00 C ATOM 106 NH1 ARG A 7 -0.757 1.281 -4.012 1.00 0.00 N ATOM 107 NH2 ARG A 7 0.369 0.039 -2.460 1.00 0.00 N ATOM 0 H ARG A 7 2.294 3.385 1.685 1.00 0.00 H new ATOM 0 HA ARG A 7 1.306 5.851 0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.576 3.557 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.330 2.929 0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.346 4.442 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.135 5.403 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.436 3.680 -2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.309 3.682 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.572 1.820 -0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.260 2.137 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.625 0.556 -4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.728 -0.056 -1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.520 -0.707 -3.139 1.00 0.00 H new ATOM 121 N ASP A 8 -0.577 6.365 1.842 1.00 0.00 N ATOM 122 CA ASP A 8 -1.756 6.694 2.683 1.00 0.00 C ATOM 123 C ASP A 8 -3.004 6.804 1.803 1.00 0.00 C ATOM 124 O ASP A 8 -3.104 7.690 0.973 1.00 0.00 O ATOM 125 CB ASP A 8 -1.492 8.042 3.368 1.00 0.00 C ATOM 126 CG ASP A 8 -2.526 8.270 4.462 1.00 0.00 C ATOM 127 OD1 ASP A 8 -3.689 8.251 4.113 1.00 0.00 O ATOM 128 OD2 ASP A 8 -2.091 8.456 5.588 1.00 0.00 O ATOM 0 H ASP A 8 -0.140 7.160 1.375 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.917 5.914 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.489 8.055 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.538 8.848 2.636 1.00 0.00 H new ATOM 133 N GLU A 9 -3.933 5.900 2.005 1.00 0.00 N ATOM 134 CA GLU A 9 -5.177 5.928 1.193 1.00 0.00 C ATOM 135 C GLU A 9 -6.212 6.902 1.750 1.00 0.00 C ATOM 136 O GLU A 9 -7.273 7.068 1.181 1.00 0.00 O ATOM 137 CB GLU A 9 -5.778 4.520 1.209 1.00 0.00 C ATOM 138 CG GLU A 9 -6.192 4.175 2.640 1.00 0.00 C ATOM 139 CD GLU A 9 -6.504 2.680 2.733 1.00 0.00 C ATOM 140 OE1 GLU A 9 -6.694 2.099 1.678 1.00 0.00 O ATOM 141 OE2 GLU A 9 -6.535 2.204 3.855 1.00 0.00 O ATOM 0 H GLU A 9 -3.879 5.150 2.695 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.922 6.256 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.641 4.471 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.051 3.796 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.393 4.435 3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.066 4.759 2.928 1.00 0.00 H new ATOM 148 N LYS A 10 -5.894 7.528 2.843 1.00 0.00 N ATOM 149 CA LYS A 10 -6.865 8.490 3.431 1.00 0.00 C ATOM 150 C LYS A 10 -6.733 9.836 2.749 1.00 0.00 C ATOM 151 O LYS A 10 -7.577 10.699 2.893 1.00 0.00 O ATOM 152 CB LYS A 10 -6.541 8.654 4.923 1.00 0.00 C ATOM 153 CG LYS A 10 -7.771 8.300 5.759 1.00 0.00 C ATOM 154 CD LYS A 10 -7.982 6.786 5.721 1.00 0.00 C ATOM 155 CE LYS A 10 -9.481 6.492 5.799 1.00 0.00 C ATOM 156 NZ LYS A 10 -10.157 6.882 4.529 1.00 0.00 N ATOM 0 H LYS A 10 -5.016 7.419 3.351 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.880 8.117 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.706 8.010 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.233 9.679 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.636 8.635 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.651 8.812 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.564 6.370 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.461 6.312 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.640 5.431 5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.921 7.037 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.999 6.289 4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.442 7.881 4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.502 6.749 3.732 1.00 0.00 H new ATOM 170 N THR A 11 -5.668 9.987 2.022 1.00 0.00 N ATOM 171 CA THR A 11 -5.433 11.261 1.304 1.00 0.00 C ATOM 172 C THR A 11 -4.899 10.966 -0.083 1.00 0.00 C ATOM 173 O THR A 11 -4.941 11.803 -0.962 1.00 0.00 O ATOM 174 CB THR A 11 -4.391 12.077 2.076 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.380 12.378 1.135 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.692 11.211 3.128 1.00 0.00 C ATOM 0 H THR A 11 -4.946 9.278 1.894 1.00 0.00 H new ATOM 0 HA THR A 11 -6.366 11.819 1.226 1.00 0.00 H new ATOM 0 HB THR A 11 -4.869 12.937 2.545 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.677 12.905 1.568 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.957 11.812 3.663 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.430 10.828 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.191 10.376 2.638 1.00 0.00 H new ATOM 184 N GLN A 12 -4.397 9.768 -0.244 1.00 0.00 N ATOM 185 CA GLN A 12 -3.846 9.364 -1.553 1.00 0.00 C ATOM 186 C GLN A 12 -2.497 10.009 -1.768 1.00 0.00 C ATOM 187 O GLN A 12 -2.185 10.461 -2.854 1.00 0.00 O ATOM 188 CB GLN A 12 -4.808 9.818 -2.664 1.00 0.00 C ATOM 189 CG GLN A 12 -4.759 8.803 -3.810 1.00 0.00 C ATOM 190 CD GLN A 12 -5.730 9.236 -4.911 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.498 8.446 -5.423 1.00 0.00 O ATOM 192 NE2 GLN A 12 -5.726 10.479 -5.306 1.00 0.00 N ATOM 0 H GLN A 12 -4.349 9.056 0.484 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.731 8.280 -1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.823 9.897 -2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.527 10.807 -3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.747 8.735 -4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.025 7.811 -3.444 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.084 11.147 -4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.365 10.783 -6.041 1.00 0.00 H new ATOM 201 N MET A 13 -1.718 10.039 -0.717 1.00 0.00 N ATOM 202 CA MET A 13 -0.371 10.651 -0.813 1.00 0.00 C ATOM 203 C MET A 13 0.676 9.736 -0.193 1.00 0.00 C ATOM 204 O MET A 13 0.493 9.232 0.897 1.00 0.00 O ATOM 205 CB MET A 13 -0.388 11.980 -0.043 1.00 0.00 C ATOM 206 CG MET A 13 0.921 12.730 -0.303 1.00 0.00 C ATOM 207 SD MET A 13 1.043 14.429 0.308 1.00 0.00 S ATOM 208 CE MET A 13 0.700 15.260 -1.263 1.00 0.00 C ATOM 0 H MET A 13 -1.962 9.665 0.200 1.00 0.00 H new ATOM 0 HA MET A 13 -0.121 10.811 -1.862 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.237 12.586 -0.359 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.509 11.794 1.024 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.733 12.154 0.140 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.092 12.746 -1.379 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.725 16.340 -1.117 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.454 14.976 -1.997 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.286 14.966 -1.623 1.00 0.00 H new ATOM 218 N ILE A 14 1.759 9.539 -0.899 1.00 0.00 N ATOM 219 CA ILE A 14 2.822 8.662 -0.365 1.00 0.00 C ATOM 220 C ILE A 14 3.889 9.470 0.360 1.00 0.00 C ATOM 221 O ILE A 14 4.212 10.574 -0.037 1.00 0.00 O ATOM 222 CB ILE A 14 3.469 7.933 -1.539 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.380 7.340 -2.422 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.346 6.786 -0.989 1.00 0.00 C ATOM 225 CD1 ILE A 14 2.999 6.339 -3.399 1.00 0.00 C ATOM 0 H ILE A 14 1.945 9.948 -1.815 1.00 0.00 H new ATOM 0 HA ILE A 14 2.382 7.961 0.344 1.00 0.00 H new ATOM 0 HB ILE A 14 4.077 8.628 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.628 6.846 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.872 8.132 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.815 6.256 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.118 7.198 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.725 6.093 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.218 5.916 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.734 6.847 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.487 5.540 -2.841 1.00 0.00 H new ATOM 237 N TYR A 15 4.408 8.898 1.416 1.00 0.00 N ATOM 238 CA TYR A 15 5.458 9.593 2.204 1.00 0.00 C ATOM 239 C TYR A 15 6.701 8.718 2.314 1.00 0.00 C ATOM 240 O TYR A 15 6.695 7.574 1.905 1.00 0.00 O ATOM 241 CB TYR A 15 4.916 9.848 3.619 1.00 0.00 C ATOM 242 CG TYR A 15 3.603 10.629 3.535 1.00 0.00 C ATOM 243 CD1 TYR A 15 2.405 9.968 3.364 1.00 0.00 C ATOM 244 CD2 TYR A 15 3.597 12.004 3.645 1.00 0.00 C ATOM 245 CE1 TYR A 15 1.221 10.671 3.303 1.00 0.00 C ATOM 246 CE2 TYR A 15 2.411 12.706 3.585 1.00 0.00 C ATOM 247 CZ TYR A 15 1.214 12.044 3.413 1.00 0.00 C ATOM 248 OH TYR A 15 0.027 12.744 3.357 1.00 0.00 O ATOM 0 H TYR A 15 4.146 7.976 1.764 1.00 0.00 H new ATOM 0 HA TYR A 15 5.719 10.529 1.710 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.755 8.901 4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.646 10.407 4.203 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.394 8.892 3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.528 12.535 3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.290 10.140 3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.420 13.782 3.673 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.410 12.718 4.234 1.00 0.00 H new ATOM 258 N GLN A 16 7.746 9.274 2.860 1.00 0.00 N ATOM 259 CA GLN A 16 8.998 8.495 3.006 1.00 0.00 C ATOM 260 C GLN A 16 9.004 7.713 4.312 1.00 0.00 C ATOM 261 O GLN A 16 8.025 7.681 5.031 1.00 0.00 O ATOM 262 CB GLN A 16 10.170 9.480 3.029 1.00 0.00 C ATOM 263 CG GLN A 16 10.331 10.119 1.650 1.00 0.00 C ATOM 264 CD GLN A 16 11.699 10.802 1.577 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.467 10.776 2.518 1.00 0.00 O ATOM 266 NE2 GLN A 16 12.044 11.421 0.482 1.00 0.00 N ATOM 0 H GLN A 16 7.784 10.232 3.209 1.00 0.00 H new ATOM 0 HA GLN A 16 9.079 7.793 2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.996 10.251 3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.087 8.963 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.246 9.361 0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.537 10.845 1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.405 11.447 -0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.953 11.879 0.420 1.00 0.00 H new ATOM 275 N GLN A 17 10.117 7.095 4.590 1.00 0.00 N ATOM 276 CA GLN A 17 10.227 6.303 5.843 1.00 0.00 C ATOM 277 C GLN A 17 10.396 7.214 7.059 1.00 0.00 C ATOM 278 O GLN A 17 10.980 8.275 6.961 1.00 0.00 O ATOM 279 CB GLN A 17 11.465 5.401 5.734 1.00 0.00 C ATOM 280 CG GLN A 17 11.262 4.170 6.616 1.00 0.00 C ATOM 281 CD GLN A 17 12.575 3.388 6.708 1.00 0.00 C ATOM 282 OE1 GLN A 17 12.781 2.417 6.008 1.00 0.00 O ATOM 283 NE2 GLN A 17 13.488 3.779 7.557 1.00 0.00 N ATOM 0 H GLN A 17 10.952 7.105 4.005 1.00 0.00 H new ATOM 0 HA GLN A 17 9.316 5.718 5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.622 5.100 4.698 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.356 5.945 6.046 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.935 4.472 7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.477 3.537 6.201 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.320 4.594 8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.369 3.269 7.630 1.00 0.00 H new ATOM 292 N HIS A 18 9.875 6.787 8.186 1.00 0.00 N ATOM 293 CA HIS A 18 10.004 7.624 9.409 1.00 0.00 C ATOM 294 C HIS A 18 9.538 9.035 9.135 1.00 0.00 C ATOM 295 O HIS A 18 9.870 9.956 9.854 1.00 0.00 O ATOM 296 CB HIS A 18 11.476 7.655 9.832 1.00 0.00 C ATOM 297 CG HIS A 18 11.935 6.233 10.157 1.00 0.00 C ATOM 298 ND1 HIS A 18 13.057 5.767 9.875 1.00 0.00 N ATOM 299 CD2 HIS A 18 11.257 5.206 10.795 1.00 0.00 C ATOM 300 CE1 HIS A 18 13.170 4.562 10.257 1.00 0.00 C ATOM 301 NE2 HIS A 18 12.066 4.114 10.858 1.00 0.00 N ATOM 0 H HIS A 18 9.374 5.907 8.306 1.00 0.00 H new ATOM 0 HA HIS A 18 9.388 7.198 10.201 1.00 0.00 H new ATOM 0 HB2 HIS A 18 12.088 8.074 9.033 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.603 8.299 10.702 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.250 5.263 11.180 1.00 0.00 H new ATOM 0 HE1 HIS A 18 14.059 3.966 10.112 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.878 3.195 11.259 1.00 0.00 H new ATOM 309 N GLN A 19 8.775 9.182 8.095 1.00 0.00 N ATOM 310 CA GLN A 19 8.273 10.522 7.752 1.00 0.00 C ATOM 311 C GLN A 19 6.928 10.757 8.421 1.00 0.00 C ATOM 312 O GLN A 19 6.039 9.936 8.331 1.00 0.00 O ATOM 313 CB GLN A 19 8.102 10.594 6.235 1.00 0.00 C ATOM 314 CG GLN A 19 8.318 12.038 5.776 1.00 0.00 C ATOM 315 CD GLN A 19 9.806 12.396 5.881 1.00 0.00 C ATOM 316 OE1 GLN A 19 10.587 12.128 4.991 1.00 0.00 O ATOM 317 NE2 GLN A 19 10.237 13.006 6.950 1.00 0.00 N ATOM 0 H GLN A 19 8.481 8.430 7.472 1.00 0.00 H new ATOM 0 HA GLN A 19 8.975 11.282 8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.816 9.932 5.744 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.106 10.254 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.977 12.158 4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.726 12.717 6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.588 13.235 7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.223 13.254 7.033 1.00 0.00 H new ATOM 326 N SER A 20 6.804 11.874 9.080 1.00 0.00 N ATOM 327 CA SER A 20 5.528 12.181 9.765 1.00 0.00 C ATOM 328 C SER A 20 4.642 13.102 8.940 1.00 0.00 C ATOM 329 O SER A 20 5.090 14.107 8.427 1.00 0.00 O ATOM 330 CB SER A 20 5.866 12.884 11.081 1.00 0.00 C ATOM 331 OG SER A 20 7.139 13.468 10.847 1.00 0.00 O ATOM 0 H SER A 20 7.531 12.583 9.171 1.00 0.00 H new ATOM 0 HA SER A 20 4.984 11.249 9.922 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.121 13.639 11.332 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.898 12.180 11.912 1.00 0.00 H new ATOM 0 HG SER A 20 7.432 13.946 11.651 1.00 0.00 H new ATOM 337 N TRP A 21 3.390 12.731 8.828 1.00 0.00 N ATOM 338 CA TRP A 21 2.445 13.565 8.045 1.00 0.00 C ATOM 339 C TRP A 21 1.078 13.589 8.718 1.00 0.00 C ATOM 340 O TRP A 21 0.465 12.561 8.934 1.00 0.00 O ATOM 341 CB TRP A 21 2.321 12.998 6.613 1.00 0.00 C ATOM 342 CG TRP A 21 1.501 11.695 6.595 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.195 11.643 6.346 1.00 0.00 C ATOM 344 CD2 TRP A 21 2.013 10.480 6.685 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.065 10.320 6.272 1.00 0.00 N ATOM 346 CE2 TRP A 21 1.037 9.515 6.478 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.317 10.081 6.943 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.360 8.176 6.521 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.633 8.734 6.986 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.655 7.787 6.774 1.00 0.00 C ATOM 0 H TRP A 21 2.989 11.891 9.245 1.00 0.00 H new ATOM 0 HA TRP A 21 2.825 14.585 7.997 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.847 13.737 5.967 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.315 12.810 6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.495 12.466 6.230 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.995 9.948 6.080 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.085 10.821 7.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.596 7.431 6.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.648 8.425 7.186 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.906 6.737 6.807 1.00 0.00 H new ATOM 361 N LEU A 22 0.627 14.775 9.035 1.00 0.00 N ATOM 362 CA LEU A 22 -0.693 14.915 9.696 1.00 0.00 C ATOM 363 C LEU A 22 -1.821 14.806 8.681 1.00 0.00 C ATOM 364 O LEU A 22 -1.597 14.899 7.489 1.00 0.00 O ATOM 365 CB LEU A 22 -0.756 16.317 10.345 1.00 0.00 C ATOM 366 CG LEU A 22 0.102 16.371 11.635 1.00 0.00 C ATOM 367 CD1 LEU A 22 -0.596 15.608 12.770 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.482 15.745 11.381 1.00 0.00 C ATOM 0 H LEU A 22 1.121 15.651 8.862 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.808 14.124 10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.402 17.066 9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.790 16.566 10.581 1.00 0.00 H new ATOM 0 HG LEU A 22 0.224 17.415 11.922 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.017 15.654 13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.567 16.061 12.969 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.734 14.567 12.478 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.075 15.789 12.294 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.360 14.705 11.077 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.992 16.296 10.591 1.00 0.00 H new ATOM 380 N ARG A 23 -3.016 14.608 9.181 1.00 0.00 N ATOM 381 CA ARG A 23 -4.188 14.486 8.276 1.00 0.00 C ATOM 382 C ARG A 23 -5.373 15.331 8.814 1.00 0.00 C ATOM 383 O ARG A 23 -5.456 15.589 9.999 1.00 0.00 O ATOM 384 CB ARG A 23 -4.588 12.999 8.239 1.00 0.00 C ATOM 385 CG ARG A 23 -3.789 12.271 7.135 1.00 0.00 C ATOM 386 CD ARG A 23 -3.363 10.884 7.636 1.00 0.00 C ATOM 387 NE ARG A 23 -4.464 10.293 8.449 1.00 0.00 N ATOM 388 CZ ARG A 23 -4.599 8.997 8.499 1.00 0.00 C ATOM 389 NH1 ARG A 23 -5.175 8.385 7.503 1.00 0.00 N ATOM 390 NH2 ARG A 23 -4.155 8.355 9.546 1.00 0.00 N ATOM 0 H ARG A 23 -3.225 14.526 10.176 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.937 14.848 7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.394 12.536 9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.657 12.905 8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.398 12.173 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.910 12.856 6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.131 10.235 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.456 10.964 8.235 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.106 10.897 8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.511 8.919 6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.289 7.372 7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.711 8.867 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.252 7.341 9.602 1.00 0.00 H new ATOM 404 N PRO A 24 -6.283 15.745 7.918 1.00 0.00 N ATOM 405 CA PRO A 24 -7.441 16.551 8.320 1.00 0.00 C ATOM 406 C PRO A 24 -8.320 15.862 9.357 1.00 0.00 C ATOM 407 O PRO A 24 -8.217 14.674 9.590 1.00 0.00 O ATOM 408 CB PRO A 24 -8.263 16.744 7.031 1.00 0.00 C ATOM 409 CG PRO A 24 -7.534 15.978 5.893 1.00 0.00 C ATOM 410 CD PRO A 24 -6.218 15.440 6.474 1.00 0.00 C ATOM 0 HA PRO A 24 -7.101 17.481 8.776 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.276 16.363 7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.349 17.803 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.153 15.161 5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.339 16.639 5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.120 14.368 6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.356 15.918 6.008 1.00 0.00 H new ATOM 418 N VAL A 25 -9.173 16.646 9.956 1.00 0.00 N ATOM 419 CA VAL A 25 -10.091 16.115 10.986 1.00 0.00 C ATOM 420 C VAL A 25 -11.407 15.665 10.358 1.00 0.00 C ATOM 421 O VAL A 25 -11.611 15.799 9.169 1.00 0.00 O ATOM 422 CB VAL A 25 -10.400 17.253 11.978 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.129 18.079 12.218 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.484 18.158 11.395 1.00 0.00 C ATOM 0 H VAL A 25 -9.269 17.644 9.769 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.622 15.263 11.479 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.746 16.828 12.920 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.346 18.885 12.920 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.351 17.437 12.631 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.787 18.502 11.274 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.702 18.963 12.097 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.136 18.582 10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.388 17.575 11.218 1.00 0.00 H new ATOM 434 N LEU A 26 -12.275 15.139 11.177 1.00 0.00 N ATOM 435 CA LEU A 26 -13.580 14.677 10.659 1.00 0.00 C ATOM 436 C LEU A 26 -14.508 15.871 10.475 1.00 0.00 C ATOM 437 O LEU A 26 -14.800 16.275 9.367 1.00 0.00 O ATOM 438 CB LEU A 26 -14.235 13.693 11.678 1.00 0.00 C ATOM 439 CG LEU A 26 -13.397 13.573 12.975 1.00 0.00 C ATOM 440 CD1 LEU A 26 -13.580 14.840 13.830 1.00 0.00 C ATOM 441 CD2 LEU A 26 -13.902 12.365 13.771 1.00 0.00 C ATOM 0 H LEU A 26 -12.132 15.012 12.179 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.422 14.174 9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.239 14.038 11.924 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.339 12.710 11.219 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.343 13.454 12.722 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.989 14.752 14.742 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.248 15.711 13.265 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.632 14.955 14.089 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.322 12.266 14.689 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.954 12.507 14.020 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.790 11.462 13.171 1.00 0.00 H new ATOM 453 N ARG A 27 -14.953 16.407 11.572 1.00 0.00 N ATOM 454 CA ARG A 27 -15.860 17.576 11.514 1.00 0.00 C ATOM 455 C ARG A 27 -15.672 18.441 12.747 1.00 0.00 C ATOM 456 O ARG A 27 -16.074 19.588 12.776 1.00 0.00 O ATOM 457 CB ARG A 27 -17.308 17.074 11.487 1.00 0.00 C ATOM 458 CG ARG A 27 -17.541 16.297 10.196 1.00 0.00 C ATOM 459 CD ARG A 27 -19.050 16.131 9.963 1.00 0.00 C ATOM 460 NE ARG A 27 -19.273 15.576 8.604 1.00 0.00 N ATOM 461 CZ ARG A 27 -20.362 14.903 8.361 1.00 0.00 C ATOM 462 NH1 ARG A 27 -20.564 13.781 8.994 1.00 0.00 N ATOM 463 NH2 ARG A 27 -21.216 15.378 7.497 1.00 0.00 N ATOM 0 H ARG A 27 -14.725 16.082 12.512 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.637 18.161 10.622 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -17.501 16.437 12.350 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.999 17.915 11.550 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -17.088 16.823 9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -17.062 15.320 10.256 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -19.476 15.467 10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -19.554 17.092 10.064 1.00 0.00 H new ATOM 0 HE ARG A 27 -18.581 15.720 7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -19.875 13.444 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -21.411 13.241 8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -21.026 16.262 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -22.074 14.866 7.294 1.00 0.00 H new ATOM 477 N SER A 28 -15.060 17.871 13.747 1.00 0.00 N ATOM 478 CA SER A 28 -14.828 18.628 14.994 1.00 0.00 C ATOM 479 C SER A 28 -13.521 19.417 14.925 1.00 0.00 C ATOM 480 O SER A 28 -13.410 20.372 14.182 1.00 0.00 O ATOM 481 CB SER A 28 -14.745 17.621 16.149 1.00 0.00 C ATOM 482 OG SER A 28 -16.095 17.260 16.390 1.00 0.00 O ATOM 0 H SER A 28 -14.712 16.912 13.748 1.00 0.00 H new ATOM 0 HA SER A 28 -15.644 19.336 15.142 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.142 16.754 15.879 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.287 18.065 17.033 1.00 0.00 H new ATOM 0 HG SER A 28 -16.134 16.609 17.122 1.00 0.00 H new ATOM 488 N ASN A 29 -12.555 19.003 15.702 1.00 0.00 N ATOM 489 CA ASN A 29 -11.256 19.720 15.693 1.00 0.00 C ATOM 490 C ASN A 29 -10.099 18.785 16.041 1.00 0.00 C ATOM 491 O ASN A 29 -9.022 19.233 16.383 1.00 0.00 O ATOM 492 CB ASN A 29 -11.326 20.829 16.754 1.00 0.00 C ATOM 493 CG ASN A 29 -11.845 22.114 16.110 1.00 0.00 C ATOM 494 OD1 ASN A 29 -11.134 22.797 15.398 1.00 0.00 O ATOM 495 ND2 ASN A 29 -13.078 22.481 16.333 1.00 0.00 N ATOM 0 H ASN A 29 -12.612 18.206 16.336 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.079 20.123 14.696 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.983 20.527 17.570 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.339 20.998 17.185 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.440 23.336 15.911 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.679 21.912 16.929 1.00 0.00 H new ATOM 502 N ARG A 30 -10.332 17.506 15.945 1.00 0.00 N ATOM 503 CA ARG A 30 -9.249 16.556 16.271 1.00 0.00 C ATOM 504 C ARG A 30 -8.360 16.308 15.043 1.00 0.00 C ATOM 505 O ARG A 30 -8.839 16.154 13.949 1.00 0.00 O ATOM 506 CB ARG A 30 -9.897 15.253 16.781 1.00 0.00 C ATOM 507 CG ARG A 30 -10.140 14.283 15.628 1.00 0.00 C ATOM 508 CD ARG A 30 -8.846 13.505 15.280 1.00 0.00 C ATOM 509 NE ARG A 30 -9.151 12.038 15.246 1.00 0.00 N ATOM 510 CZ ARG A 30 -9.557 11.436 16.336 1.00 0.00 C ATOM 511 NH1 ARG A 30 -9.370 12.024 17.486 1.00 0.00 N ATOM 512 NH2 ARG A 30 -10.140 10.272 16.237 1.00 0.00 N ATOM 0 H ARG A 30 -11.217 17.087 15.658 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.602 16.965 17.047 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.251 14.787 17.525 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.841 15.480 17.276 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.930 13.582 15.897 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.486 14.832 14.752 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.459 13.831 14.315 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.072 13.711 16.020 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.043 11.512 14.379 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.915 12.936 17.524 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.679 11.572 18.346 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.273 9.845 15.320 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.462 9.790 17.076 1.00 0.00 H new ATOM 526 N VAL A 31 -7.075 16.284 15.257 1.00 0.00 N ATOM 527 CA VAL A 31 -6.140 16.053 14.111 1.00 0.00 C ATOM 528 C VAL A 31 -5.585 14.642 14.096 1.00 0.00 C ATOM 529 O VAL A 31 -5.318 14.064 15.131 1.00 0.00 O ATOM 530 CB VAL A 31 -4.963 17.035 14.254 1.00 0.00 C ATOM 531 CG1 VAL A 31 -5.468 18.461 14.025 1.00 0.00 C ATOM 532 CG2 VAL A 31 -4.379 16.929 15.667 1.00 0.00 C ATOM 0 H VAL A 31 -6.630 16.413 16.166 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.693 16.204 13.184 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.193 16.792 13.521 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.639 19.161 14.125 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.891 18.541 13.024 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.234 18.698 14.763 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.546 17.624 15.769 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.149 17.175 16.398 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.027 15.912 15.840 1.00 0.00 H new ATOM 542 N GLU A 32 -5.419 14.107 12.906 1.00 0.00 N ATOM 543 CA GLU A 32 -4.878 12.730 12.797 1.00 0.00 C ATOM 544 C GLU A 32 -3.389 12.804 12.541 1.00 0.00 C ATOM 545 O GLU A 32 -2.953 13.464 11.616 1.00 0.00 O ATOM 546 CB GLU A 32 -5.565 12.014 11.627 1.00 0.00 C ATOM 547 CG GLU A 32 -6.727 11.183 12.172 1.00 0.00 C ATOM 548 CD GLU A 32 -7.557 10.638 11.009 1.00 0.00 C ATOM 549 OE1 GLU A 32 -8.244 11.448 10.406 1.00 0.00 O ATOM 550 OE2 GLU A 32 -7.460 9.442 10.788 1.00 0.00 O ATOM 0 H GLU A 32 -5.635 14.566 12.021 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.063 12.181 13.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.929 12.741 10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.854 11.373 11.107 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.347 10.360 12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.352 11.795 12.822 1.00 0.00 H new ATOM 557 N TYR A 33 -2.632 12.121 13.359 1.00 0.00 N ATOM 558 CA TYR A 33 -1.160 12.136 13.192 1.00 0.00 C ATOM 559 C TYR A 33 -0.644 10.752 12.823 1.00 0.00 C ATOM 560 O TYR A 33 -0.889 9.796 13.526 1.00 0.00 O ATOM 561 CB TYR A 33 -0.565 12.566 14.558 1.00 0.00 C ATOM 562 CG TYR A 33 0.989 12.541 14.571 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.754 12.463 13.408 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.645 12.566 15.784 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.125 12.403 13.480 1.00 0.00 C ATOM 566 CE2 TYR A 33 3.016 12.508 15.847 1.00 0.00 C ATOM 567 CZ TYR A 33 3.768 12.427 14.699 1.00 0.00 C ATOM 568 OH TYR A 33 5.144 12.371 14.765 1.00 0.00 O ATOM 0 H TYR A 33 -2.976 11.555 14.135 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.872 12.819 12.393 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.910 13.571 14.799 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.941 11.904 15.338 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.266 12.450 12.445 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.073 12.632 16.697 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.705 12.336 12.571 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.508 12.526 16.808 1.00 0.00 H new ATOM 0 HH TYR A 33 5.428 12.400 15.703 1.00 0.00 H new ATOM 578 N CYS A 34 0.044 10.665 11.709 1.00 0.00 N ATOM 579 CA CYS A 34 0.576 9.351 11.292 1.00 0.00 C ATOM 580 C CYS A 34 1.956 9.475 10.684 1.00 0.00 C ATOM 581 O CYS A 34 2.281 10.455 10.041 1.00 0.00 O ATOM 582 CB CYS A 34 -0.381 8.731 10.259 1.00 0.00 C ATOM 583 SG CYS A 34 -0.069 7.018 9.755 1.00 0.00 S ATOM 0 H CYS A 34 0.253 11.444 11.084 1.00 0.00 H new ATOM 0 HA CYS A 34 0.654 8.717 12.175 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.392 8.785 10.662 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.361 9.354 9.365 1.00 0.00 H new ATOM 588 N TRP A 35 2.741 8.464 10.910 1.00 0.00 N ATOM 589 CA TRP A 35 4.116 8.457 10.376 1.00 0.00 C ATOM 590 C TRP A 35 4.514 7.042 9.972 1.00 0.00 C ATOM 591 O TRP A 35 3.991 6.086 10.489 1.00 0.00 O ATOM 592 CB TRP A 35 5.059 8.922 11.488 1.00 0.00 C ATOM 593 CG TRP A 35 5.539 7.694 12.261 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.608 7.005 11.931 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.948 7.179 13.319 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.660 6.026 12.839 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.637 6.063 13.768 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.802 7.585 13.987 1.00 0.00 C ATOM 599 CZ2 TRP A 35 5.191 5.367 14.872 1.00 0.00 C ATOM 600 CZ3 TRP A 35 3.360 6.886 15.092 1.00 0.00 C ATOM 601 CH2 TRP A 35 4.054 5.778 15.533 1.00 0.00 C ATOM 0 H TRP A 35 2.482 7.637 11.447 1.00 0.00 H new ATOM 0 HA TRP A 35 4.174 9.111 9.506 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.908 9.459 11.065 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.545 9.613 12.156 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.289 7.188 11.113 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.390 5.314 12.846 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.255 8.450 13.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.733 4.500 15.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.470 7.207 15.612 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.706 5.232 16.397 1.00 0.00 H new ATOM 612 N CYS A 36 5.446 6.935 9.070 1.00 0.00 N ATOM 613 CA CYS A 36 5.883 5.578 8.627 1.00 0.00 C ATOM 614 C CYS A 36 6.890 4.960 9.591 1.00 0.00 C ATOM 615 O CYS A 36 7.993 5.434 9.715 1.00 0.00 O ATOM 616 CB CYS A 36 6.561 5.722 7.267 1.00 0.00 C ATOM 617 SG CYS A 36 6.464 4.315 6.132 1.00 0.00 S ATOM 0 H CYS A 36 5.922 7.718 8.622 1.00 0.00 H new ATOM 0 HA CYS A 36 5.006 4.932 8.586 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.130 6.589 6.766 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.614 5.944 7.438 1.00 0.00 H new ATOM 622 N ASN A 37 6.505 3.895 10.240 1.00 0.00 N ATOM 623 CA ASN A 37 7.448 3.254 11.189 1.00 0.00 C ATOM 624 C ASN A 37 8.383 2.304 10.448 1.00 0.00 C ATOM 625 O ASN A 37 9.425 1.933 10.949 1.00 0.00 O ATOM 626 CB ASN A 37 6.634 2.450 12.217 1.00 0.00 C ATOM 627 CG ASN A 37 7.578 1.864 13.270 1.00 0.00 C ATOM 628 OD1 ASN A 37 8.496 1.133 12.959 1.00 0.00 O ATOM 629 ND2 ASN A 37 7.384 2.157 14.527 1.00 0.00 N ATOM 0 H ASN A 37 5.592 3.449 10.154 1.00 0.00 H new ATOM 0 HA ASN A 37 8.043 4.023 11.682 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.894 3.093 12.694 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.087 1.650 11.718 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.002 1.772 15.242 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.614 2.771 14.795 1.00 0.00 H new ATOM 636 N SER A 38 7.994 1.934 9.258 1.00 0.00 N ATOM 637 CA SER A 38 8.845 1.013 8.469 1.00 0.00 C ATOM 638 C SER A 38 8.274 0.813 7.072 1.00 0.00 C ATOM 639 O SER A 38 8.986 0.459 6.154 1.00 0.00 O ATOM 640 CB SER A 38 8.885 -0.345 9.188 1.00 0.00 C ATOM 641 OG SER A 38 10.137 -0.346 9.858 1.00 0.00 O ATOM 0 H SER A 38 7.129 2.230 8.805 1.00 0.00 H new ATOM 0 HA SER A 38 9.844 1.439 8.380 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.057 -0.449 9.890 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.810 -1.172 8.482 1.00 0.00 H new ATOM 0 HG SER A 38 10.218 0.465 10.402 1.00 0.00 H new ATOM 647 N GLY A 39 6.997 1.041 6.934 1.00 0.00 N ATOM 648 CA GLY A 39 6.367 0.867 5.597 1.00 0.00 C ATOM 649 C GLY A 39 4.902 0.448 5.742 1.00 0.00 C ATOM 650 O GLY A 39 4.294 -0.015 4.796 1.00 0.00 O ATOM 0 H GLY A 39 6.369 1.337 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.430 1.799 5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.912 0.114 5.028 1.00 0.00 H new ATOM 654 N ARG A 40 4.367 0.623 6.930 1.00 0.00 N ATOM 655 CA ARG A 40 2.941 0.245 7.171 1.00 0.00 C ATOM 656 C ARG A 40 2.126 1.461 7.590 1.00 0.00 C ATOM 657 O ARG A 40 0.940 1.365 7.839 1.00 0.00 O ATOM 658 CB ARG A 40 2.901 -0.785 8.313 1.00 0.00 C ATOM 659 CG ARG A 40 3.715 -0.255 9.498 1.00 0.00 C ATOM 660 CD ARG A 40 3.531 -1.191 10.693 1.00 0.00 C ATOM 661 NE ARG A 40 4.039 -2.543 10.333 1.00 0.00 N ATOM 662 CZ ARG A 40 3.803 -3.550 11.129 1.00 0.00 C ATOM 663 NH1 ARG A 40 3.444 -3.309 12.361 1.00 0.00 N ATOM 664 NH2 ARG A 40 3.930 -4.763 10.666 1.00 0.00 N ATOM 0 H ARG A 40 4.856 1.010 7.737 1.00 0.00 H new ATOM 0 HA ARG A 40 2.520 -0.165 6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.871 -0.969 8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.308 -1.738 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.770 -0.191 9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.390 0.753 9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.068 -0.805 11.559 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.478 -1.246 10.970 1.00 0.00 H new ATOM 0 HE ARG A 40 4.567 -2.681 9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.352 -2.347 12.687 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.255 -4.083 12.998 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.210 -4.912 9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.750 -5.562 11.274 1.00 0.00 H new ATOM 678 N ALA A 41 2.781 2.585 7.657 1.00 0.00 N ATOM 679 CA ALA A 41 2.074 3.825 8.057 1.00 0.00 C ATOM 680 C ALA A 41 1.488 3.688 9.453 1.00 0.00 C ATOM 681 O ALA A 41 0.438 3.105 9.642 1.00 0.00 O ATOM 682 CB ALA A 41 0.934 4.095 7.062 1.00 0.00 C ATOM 0 H ALA A 41 3.774 2.696 7.452 1.00 0.00 H new ATOM 0 HA ALA A 41 2.787 4.649 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.409 5.006 7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.346 4.214 6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.238 3.256 7.070 1.00 0.00 H new ATOM 688 N GLN A 42 2.186 4.226 10.410 1.00 0.00 N ATOM 689 CA GLN A 42 1.703 4.149 11.797 1.00 0.00 C ATOM 690 C GLN A 42 0.825 5.347 12.076 1.00 0.00 C ATOM 691 O GLN A 42 1.307 6.460 12.115 1.00 0.00 O ATOM 692 CB GLN A 42 2.926 4.184 12.721 1.00 0.00 C ATOM 693 CG GLN A 42 2.761 3.131 13.812 1.00 0.00 C ATOM 694 CD GLN A 42 1.415 3.327 14.515 1.00 0.00 C ATOM 695 OE1 GLN A 42 0.427 2.713 14.168 1.00 0.00 O ATOM 696 NE2 GLN A 42 1.333 4.173 15.503 1.00 0.00 N ATOM 0 H GLN A 42 3.072 4.715 10.283 1.00 0.00 H new ATOM 0 HA GLN A 42 1.130 3.236 11.961 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.834 3.993 12.149 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.032 5.173 13.167 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.814 2.132 13.379 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.574 3.209 14.533 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.159 4.692 15.800 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.443 4.316 15.980 1.00 0.00 H new ATOM 705 N CYS A 43 -0.452 5.105 12.273 1.00 0.00 N ATOM 706 CA CYS A 43 -1.371 6.245 12.546 1.00 0.00 C ATOM 707 C CYS A 43 -2.045 6.176 13.889 1.00 0.00 C ATOM 708 O CYS A 43 -2.334 5.119 14.415 1.00 0.00 O ATOM 709 CB CYS A 43 -2.449 6.265 11.466 1.00 0.00 C ATOM 710 SG CYS A 43 -1.897 6.152 9.746 1.00 0.00 S ATOM 0 H CYS A 43 -0.886 4.182 12.256 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.762 7.149 12.544 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.134 5.438 11.656 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.022 7.186 11.577 1.00 0.00 H new ATOM 715 N HIS A 44 -2.276 7.339 14.407 1.00 0.00 N ATOM 716 CA HIS A 44 -2.931 7.476 15.716 1.00 0.00 C ATOM 717 C HIS A 44 -3.689 8.775 15.721 1.00 0.00 C ATOM 718 O HIS A 44 -3.832 9.399 14.687 1.00 0.00 O ATOM 719 CB HIS A 44 -1.863 7.489 16.830 1.00 0.00 C ATOM 720 CG HIS A 44 -0.809 8.552 16.537 1.00 0.00 C ATOM 721 ND1 HIS A 44 -0.086 8.587 15.520 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.423 9.636 17.300 1.00 0.00 C ATOM 723 CE1 HIS A 44 0.715 9.569 15.556 1.00 0.00 C ATOM 724 NE2 HIS A 44 0.573 10.298 16.659 1.00 0.00 N ATOM 0 H HIS A 44 -2.029 8.223 13.962 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.610 6.642 15.893 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.334 7.689 17.793 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.391 6.509 16.903 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.846 9.913 18.254 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.432 9.789 14.779 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.080 11.135 16.947 1.00 0.00 H new ATOM 732 N SER A 45 -4.171 9.171 16.849 1.00 0.00 N ATOM 733 CA SER A 45 -4.920 10.447 16.877 1.00 0.00 C ATOM 734 C SER A 45 -4.760 11.190 18.188 1.00 0.00 C ATOM 735 O SER A 45 -5.055 10.675 19.249 1.00 0.00 O ATOM 736 CB SER A 45 -6.406 10.143 16.666 1.00 0.00 C ATOM 737 OG SER A 45 -7.052 11.351 17.025 1.00 0.00 O ATOM 0 H SER A 45 -4.085 8.681 17.740 1.00 0.00 H new ATOM 0 HA SER A 45 -4.520 11.083 16.087 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.615 9.869 15.632 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.737 9.312 17.289 1.00 0.00 H new ATOM 0 HG SER A 45 -6.624 12.101 16.561 1.00 0.00 H new ATOM 743 N VAL A 46 -4.284 12.399 18.070 1.00 0.00 N ATOM 744 CA VAL A 46 -4.073 13.252 19.254 1.00 0.00 C ATOM 745 C VAL A 46 -4.893 14.551 19.059 1.00 0.00 C ATOM 746 O VAL A 46 -4.523 15.376 18.247 1.00 0.00 O ATOM 747 CB VAL A 46 -2.581 13.618 19.316 1.00 0.00 C ATOM 748 CG1 VAL A 46 -2.267 14.207 20.691 1.00 0.00 C ATOM 749 CG2 VAL A 46 -1.743 12.354 19.104 1.00 0.00 C ATOM 0 H VAL A 46 -4.030 12.832 17.182 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.379 12.740 20.167 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.347 14.347 18.541 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.210 14.469 20.742 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.870 15.101 20.850 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.496 13.472 21.463 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.684 12.608 19.147 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.974 11.629 19.884 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.974 11.924 18.129 1.00 0.00 H new ATOM 759 N PRO A 47 -5.996 14.735 19.799 1.00 0.00 N ATOM 760 CA PRO A 47 -6.793 15.942 19.635 1.00 0.00 C ATOM 761 C PRO A 47 -5.999 17.195 19.937 1.00 0.00 C ATOM 762 O PRO A 47 -4.874 17.136 20.397 1.00 0.00 O ATOM 763 CB PRO A 47 -7.953 15.810 20.633 1.00 0.00 C ATOM 764 CG PRO A 47 -7.771 14.453 21.380 1.00 0.00 C ATOM 765 CD PRO A 47 -6.486 13.805 20.837 1.00 0.00 C ATOM 0 HA PRO A 47 -7.133 16.036 18.604 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.949 16.641 21.339 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.911 15.837 20.114 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.697 14.613 22.456 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.630 13.803 21.213 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.747 13.671 21.627 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.688 12.819 20.419 1.00 0.00 H new ATOM 773 N VAL A 48 -6.605 18.307 19.671 1.00 0.00 N ATOM 774 CA VAL A 48 -5.922 19.600 19.926 1.00 0.00 C ATOM 775 C VAL A 48 -5.512 19.727 21.388 1.00 0.00 C ATOM 776 O VAL A 48 -4.803 20.640 21.760 1.00 0.00 O ATOM 777 CB VAL A 48 -6.897 20.739 19.577 1.00 0.00 C ATOM 778 CG1 VAL A 48 -8.143 20.636 20.466 1.00 0.00 C ATOM 779 CG2 VAL A 48 -6.207 22.086 19.819 1.00 0.00 C ATOM 0 H VAL A 48 -7.547 18.381 19.287 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.022 19.652 19.313 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.192 20.661 18.530 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.834 21.442 20.219 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.631 19.676 20.298 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.851 20.716 21.513 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.894 22.896 19.573 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.916 22.163 20.867 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.320 22.159 19.190 1.00 0.00 H new ATOM 789 N LYS A 49 -5.962 18.806 22.193 1.00 0.00 N ATOM 790 CA LYS A 49 -5.605 18.864 23.630 1.00 0.00 C ATOM 791 C LYS A 49 -4.151 18.465 23.843 1.00 0.00 C ATOM 792 O LYS A 49 -3.812 17.299 23.802 1.00 0.00 O ATOM 793 CB LYS A 49 -6.508 17.883 24.392 1.00 0.00 C ATOM 794 CG LYS A 49 -5.977 17.719 25.820 1.00 0.00 C ATOM 795 CD LYS A 49 -7.101 17.197 26.722 1.00 0.00 C ATOM 796 CE LYS A 49 -6.518 16.198 27.724 1.00 0.00 C ATOM 797 NZ LYS A 49 -5.298 16.758 28.369 1.00 0.00 N ATOM 0 H LYS A 49 -6.556 18.024 21.918 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.742 19.883 23.992 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.533 18.253 24.412 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.528 16.918 23.885 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.136 17.026 25.830 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.608 18.674 26.195 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.575 18.025 27.249 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.874 16.718 26.121 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.262 15.960 28.484 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.272 15.265 27.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.187 16.346 29.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.464 16.529 27.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.391 17.791 28.449 1.00 0.00 H new ATOM 811 N SER A 50 -3.315 19.444 24.067 1.00 0.00 N ATOM 812 CA SER A 50 -1.879 19.141 24.286 1.00 0.00 C ATOM 813 C SER A 50 -1.254 20.146 25.244 1.00 0.00 C ATOM 814 O SER A 50 -0.749 19.686 26.255 1.00 0.00 O ATOM 815 CB SER A 50 -1.153 19.231 22.933 1.00 0.00 C ATOM 816 OG SER A 50 0.211 18.994 23.254 1.00 0.00 O ATOM 817 OXT SER A 50 -1.317 21.319 24.916 1.00 0.00 O ATOM 0 H SER A 50 -3.566 20.432 24.107 1.00 0.00 H new ATOM 0 HA SER A 50 -1.787 18.144 24.716 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.531 18.491 22.228 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.290 20.209 22.472 1.00 0.00 H new ATOM 0 HG SER A 50 0.751 19.033 22.437 1.00 0.00 H new TER 823 SER A 50