USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 455 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 10 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 164:sc=-0.00283 (180deg=-0.103) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.101 USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= -0.0908 (180deg=-0.524) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 95:sc= 0.746 USER MOD Single : A 28 ASN : amide:sc= -8.13! C(o=-8.1!,f=-6!) USER MOD Single : A 29 THR OG1 : rot -50:sc= -0.556 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 39 CYS SG : rot -73:sc= -5.65! USER MOD Single : A 44 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ -107:sc= -3.23! (180deg=-5.76!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0408 X(o=-0.041,f=-0.05) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.0244 (180deg=-0.3) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 15.130 2.652 14.143 1.00 0.00 N ATOM 2 CA GLY A 9 13.887 3.159 14.714 1.00 0.00 C ATOM 3 C GLY A 9 13.312 4.281 13.858 1.00 0.00 C ATOM 4 O GLY A 9 12.096 4.463 13.788 1.00 0.00 O ATOM 0 HA2 GLY A 9 13.162 2.349 14.794 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.069 3.524 15.725 1.00 0.00 H new ATOM 8 N THR A 10 14.194 5.030 13.204 1.00 0.00 N ATOM 9 CA THR A 10 13.768 6.131 12.355 1.00 0.00 C ATOM 10 C THR A 10 12.886 5.621 11.218 1.00 0.00 C ATOM 11 O THR A 10 12.662 4.418 11.086 1.00 0.00 O ATOM 12 CB THR A 10 14.999 6.837 11.780 1.00 0.00 C ATOM 13 OG1 THR A 10 15.981 5.867 11.440 1.00 0.00 O ATOM 14 CG2 THR A 10 15.574 7.802 12.819 1.00 0.00 C ATOM 0 H THR A 10 15.204 4.894 13.247 1.00 0.00 H new ATOM 0 HA THR A 10 13.189 6.834 12.954 1.00 0.00 H new ATOM 0 HB THR A 10 14.712 7.397 10.890 1.00 0.00 H new ATOM 0 HG1 THR A 10 16.770 6.316 11.070 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.450 8.302 12.406 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.821 8.546 13.081 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.861 7.247 13.712 1.00 0.00 H new ATOM 22 N LYS A 11 12.389 6.544 10.402 1.00 0.00 N ATOM 23 CA LYS A 11 11.533 6.177 9.280 1.00 0.00 C ATOM 24 C LYS A 11 12.129 5.003 8.511 1.00 0.00 C ATOM 25 O LYS A 11 13.090 5.164 7.760 1.00 0.00 O ATOM 26 CB LYS A 11 11.363 7.372 8.337 1.00 0.00 C ATOM 27 CG LYS A 11 11.065 8.635 9.149 1.00 0.00 C ATOM 28 CD LYS A 11 9.890 8.375 10.096 1.00 0.00 C ATOM 29 CE LYS A 11 9.315 9.709 10.575 1.00 0.00 C ATOM 30 NZ LYS A 11 8.333 9.463 11.669 1.00 0.00 N ATOM 0 H LYS A 11 12.562 7.545 10.495 1.00 0.00 H new ATOM 0 HA LYS A 11 10.560 5.883 9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.269 7.513 7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.552 7.180 7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.946 8.928 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.829 9.462 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.119 7.797 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.221 7.782 10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.117 10.356 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.831 10.227 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.942 10.370 11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.562 8.861 11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.809 8.986 12.462 1.00 0.00 H new ATOM 44 N LYS A 12 11.551 3.822 8.705 1.00 0.00 N ATOM 45 CA LYS A 12 12.034 2.626 8.022 1.00 0.00 C ATOM 46 C LYS A 12 11.519 2.587 6.586 1.00 0.00 C ATOM 47 O LYS A 12 12.300 2.479 5.640 1.00 0.00 O ATOM 48 CB LYS A 12 11.569 1.374 8.769 1.00 0.00 C ATOM 49 CG LYS A 12 12.154 1.374 10.183 1.00 0.00 C ATOM 50 CD LYS A 12 12.015 -0.024 10.803 1.00 0.00 C ATOM 51 CE LYS A 12 13.234 -0.876 10.439 1.00 0.00 C ATOM 52 NZ LYS A 12 14.390 -0.478 11.290 1.00 0.00 N ATOM 0 H LYS A 12 10.755 3.667 9.323 1.00 0.00 H new ATOM 0 HA LYS A 12 13.124 2.653 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.480 1.349 8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.886 0.479 8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.204 1.665 10.152 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.637 2.109 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.926 0.056 11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.104 -0.503 10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.009 -1.933 10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.482 -0.744 9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.124 -1.214 11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.781 0.422 10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.074 -0.364 12.274 1.00 0.00 H new ATOM 66 N TYR A 13 10.201 2.673 6.433 1.00 0.00 N ATOM 67 CA TYR A 13 9.588 2.647 5.108 1.00 0.00 C ATOM 68 C TYR A 13 8.454 3.667 5.028 1.00 0.00 C ATOM 69 O TYR A 13 7.746 3.902 6.008 1.00 0.00 O ATOM 70 CB TYR A 13 9.045 1.241 4.810 1.00 0.00 C ATOM 71 CG TYR A 13 10.093 0.433 4.079 1.00 0.00 C ATOM 72 CD1 TYR A 13 11.200 -0.072 4.772 1.00 0.00 C ATOM 73 CD2 TYR A 13 9.956 0.190 2.706 1.00 0.00 C ATOM 74 CE1 TYR A 13 12.171 -0.817 4.092 1.00 0.00 C ATOM 75 CE2 TYR A 13 10.925 -0.557 2.029 1.00 0.00 C ATOM 76 CZ TYR A 13 12.033 -1.060 2.721 1.00 0.00 C ATOM 77 OH TYR A 13 12.990 -1.794 2.050 1.00 0.00 O ATOM 0 H TYR A 13 9.540 2.761 7.205 1.00 0.00 H new ATOM 0 HA TYR A 13 10.345 2.904 4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.771 0.742 5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.140 1.311 4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.305 0.113 5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.103 0.579 2.171 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.026 -1.204 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.818 -0.746 0.971 1.00 0.00 H new ATOM 0 HH TYR A 13 12.741 -1.870 1.105 1.00 0.00 H new ATOM 87 N ASP A 14 8.289 4.267 3.853 1.00 0.00 N ATOM 88 CA ASP A 14 7.238 5.261 3.648 1.00 0.00 C ATOM 89 C ASP A 14 6.601 5.085 2.274 1.00 0.00 C ATOM 90 O ASP A 14 7.273 5.210 1.249 1.00 0.00 O ATOM 91 CB ASP A 14 7.822 6.670 3.765 1.00 0.00 C ATOM 92 CG ASP A 14 6.696 7.691 3.894 1.00 0.00 C ATOM 93 OD1 ASP A 14 6.170 8.095 2.871 1.00 0.00 O ATOM 94 OD2 ASP A 14 6.380 8.055 5.015 1.00 0.00 O ATOM 0 H ASP A 14 8.866 4.084 3.032 1.00 0.00 H new ATOM 0 HA ASP A 14 6.474 5.121 4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.479 6.729 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.430 6.895 2.888 1.00 0.00 H new ATOM 99 N LEU A 15 5.303 4.798 2.260 1.00 0.00 N ATOM 100 CA LEU A 15 4.574 4.608 1.009 1.00 0.00 C ATOM 101 C LEU A 15 3.209 5.271 1.106 1.00 0.00 C ATOM 102 O LEU A 15 2.208 4.723 0.645 1.00 0.00 O ATOM 103 CB LEU A 15 4.388 3.114 0.702 1.00 0.00 C ATOM 104 CG LEU A 15 5.672 2.332 1.005 1.00 0.00 C ATOM 105 CD1 LEU A 15 5.355 0.835 1.027 1.00 0.00 C ATOM 106 CD2 LEU A 15 6.718 2.606 -0.083 1.00 0.00 C ATOM 0 H LEU A 15 4.734 4.692 3.100 1.00 0.00 H new ATOM 0 HA LEU A 15 5.154 5.061 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.565 2.716 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.117 2.984 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 15 6.065 2.646 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.264 0.274 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.612 0.632 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.962 0.532 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.628 2.048 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.327 2.293 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.944 3.672 -0.110 1.00 0.00 H new ATOM 118 N SER A 16 3.182 6.450 1.716 1.00 0.00 N ATOM 119 CA SER A 16 1.937 7.193 1.883 1.00 0.00 C ATOM 120 C SER A 16 1.001 6.941 0.702 1.00 0.00 C ATOM 121 O SER A 16 -0.197 6.719 0.881 1.00 0.00 O ATOM 122 CB SER A 16 2.243 8.686 2.001 1.00 0.00 C ATOM 123 OG SER A 16 3.534 8.854 2.570 1.00 0.00 O ATOM 0 H SER A 16 4.005 6.912 2.103 1.00 0.00 H new ATOM 0 HA SER A 16 1.442 6.853 2.793 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.201 9.157 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.492 9.176 2.621 1.00 0.00 H new ATOM 0 HG SER A 16 3.736 9.810 2.646 1.00 0.00 H new ATOM 129 N LYS A 17 1.565 6.959 -0.500 1.00 0.00 N ATOM 130 CA LYS A 17 0.784 6.710 -1.705 1.00 0.00 C ATOM 131 C LYS A 17 1.716 6.403 -2.874 1.00 0.00 C ATOM 132 O LYS A 17 2.639 7.166 -3.159 1.00 0.00 O ATOM 133 CB LYS A 17 -0.076 7.936 -2.032 1.00 0.00 C ATOM 134 CG LYS A 17 -0.785 7.741 -3.377 1.00 0.00 C ATOM 135 CD LYS A 17 -1.584 6.434 -3.361 1.00 0.00 C ATOM 136 CE LYS A 17 -2.688 6.493 -4.419 1.00 0.00 C ATOM 137 NZ LYS A 17 -3.746 7.446 -3.979 1.00 0.00 N ATOM 0 H LYS A 17 2.555 7.142 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 17 0.132 5.853 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.812 8.094 -1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.549 8.829 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.451 8.582 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.053 7.720 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.923 5.590 -3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.020 6.275 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.273 6.810 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.116 5.502 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.653 7.184 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.838 7.409 -2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.487 8.410 -4.269 1.00 0.00 H new ATOM 151 N TRP A 18 1.460 5.286 -3.549 1.00 0.00 N ATOM 152 CA TRP A 18 2.274 4.874 -4.692 1.00 0.00 C ATOM 153 C TRP A 18 1.387 4.687 -5.920 1.00 0.00 C ATOM 154 O TRP A 18 0.170 4.535 -5.798 1.00 0.00 O ATOM 155 CB TRP A 18 2.985 3.544 -4.377 1.00 0.00 C ATOM 156 CG TRP A 18 4.362 3.787 -3.830 1.00 0.00 C ATOM 157 CD1 TRP A 18 4.714 4.791 -2.995 1.00 0.00 C ATOM 158 CD2 TRP A 18 5.574 3.012 -4.065 1.00 0.00 C ATOM 159 NE1 TRP A 18 6.063 4.686 -2.709 1.00 0.00 N ATOM 160 CE2 TRP A 18 6.637 3.605 -3.344 1.00 0.00 C ATOM 161 CE3 TRP A 18 5.851 1.866 -4.828 1.00 0.00 C ATOM 162 CZ2 TRP A 18 7.929 3.077 -3.380 1.00 0.00 C ATOM 163 CZ3 TRP A 18 7.148 1.332 -4.866 1.00 0.00 C ATOM 164 CH2 TRP A 18 8.185 1.936 -4.144 1.00 0.00 C ATOM 0 H TRP A 18 0.696 4.649 -3.325 1.00 0.00 H new ATOM 0 HA TRP A 18 3.016 5.647 -4.891 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.398 2.976 -3.655 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.050 2.939 -5.281 1.00 0.00 H new ATOM 0 HD1 TRP A 18 4.049 5.552 -2.613 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.571 5.330 -2.102 1.00 0.00 H new ATOM 0 HE3 TRP A 18 5.060 1.392 -5.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.725 3.547 -2.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 7.348 0.450 -5.456 1.00 0.00 H new ATOM 0 HH2 TRP A 18 9.181 1.520 -4.178 1.00 0.00 H new ATOM 175 N LYS A 19 1.999 4.684 -7.099 1.00 0.00 N ATOM 176 CA LYS A 19 1.249 4.498 -8.336 1.00 0.00 C ATOM 177 C LYS A 19 1.250 3.022 -8.731 1.00 0.00 C ATOM 178 O LYS A 19 2.114 2.258 -8.304 1.00 0.00 O ATOM 179 CB LYS A 19 1.867 5.338 -9.460 1.00 0.00 C ATOM 180 CG LYS A 19 1.921 6.814 -9.038 1.00 0.00 C ATOM 181 CD LYS A 19 3.291 7.129 -8.429 1.00 0.00 C ATOM 182 CE LYS A 19 3.317 8.583 -7.954 1.00 0.00 C ATOM 183 NZ LYS A 19 4.642 8.882 -7.340 1.00 0.00 N ATOM 0 H LYS A 19 3.004 4.807 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 19 0.221 4.823 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.871 4.978 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.278 5.232 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.740 7.455 -9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.134 7.024 -8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.492 6.459 -7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.076 6.962 -9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.133 9.254 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.521 8.754 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.660 9.870 -7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.799 8.250 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.392 8.735 -8.045 1.00 0.00 H new ATOM 197 N TYR A 20 0.274 2.627 -9.540 1.00 0.00 N ATOM 198 CA TYR A 20 0.177 1.237 -9.975 1.00 0.00 C ATOM 199 C TYR A 20 1.417 0.826 -10.761 1.00 0.00 C ATOM 200 O TYR A 20 1.923 -0.288 -10.608 1.00 0.00 O ATOM 201 CB TYR A 20 -1.066 1.050 -10.848 1.00 0.00 C ATOM 202 CG TYR A 20 -1.138 -0.381 -11.321 1.00 0.00 C ATOM 203 CD1 TYR A 20 -0.457 -0.772 -12.480 1.00 0.00 C ATOM 204 CD2 TYR A 20 -1.886 -1.320 -10.599 1.00 0.00 C ATOM 205 CE1 TYR A 20 -0.525 -2.101 -12.917 1.00 0.00 C ATOM 206 CE2 TYR A 20 -1.955 -2.648 -11.037 1.00 0.00 C ATOM 207 CZ TYR A 20 -1.272 -3.039 -12.196 1.00 0.00 C ATOM 208 OH TYR A 20 -1.338 -4.347 -12.627 1.00 0.00 O ATOM 0 H TYR A 20 -0.454 3.241 -9.905 1.00 0.00 H new ATOM 0 HA TYR A 20 0.101 0.607 -9.089 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.962 1.303 -10.282 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.028 1.725 -11.703 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.121 -0.049 -13.037 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.410 -1.019 -9.704 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.000 -2.402 -13.812 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.534 -3.371 -10.482 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.897 -4.866 -12.012 1.00 0.00 H new ATOM 218 N ALA A 21 1.899 1.730 -11.607 1.00 0.00 N ATOM 219 CA ALA A 21 3.078 1.455 -12.423 1.00 0.00 C ATOM 220 C ALA A 21 4.270 1.054 -11.558 1.00 0.00 C ATOM 221 O ALA A 21 4.792 -0.054 -11.680 1.00 0.00 O ATOM 222 CB ALA A 21 3.438 2.691 -13.246 1.00 0.00 C ATOM 0 H ALA A 21 1.494 2.656 -11.746 1.00 0.00 H new ATOM 0 HA ALA A 21 2.842 0.624 -13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.318 2.480 -13.853 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.603 2.951 -13.896 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.650 3.525 -12.577 1.00 0.00 H new ATOM 228 N GLU A 22 4.706 1.967 -10.693 1.00 0.00 N ATOM 229 CA GLU A 22 5.850 1.696 -9.827 1.00 0.00 C ATOM 230 C GLU A 22 5.579 0.501 -8.917 1.00 0.00 C ATOM 231 O GLU A 22 6.476 -0.297 -8.650 1.00 0.00 O ATOM 232 CB GLU A 22 6.171 2.928 -8.978 1.00 0.00 C ATOM 233 CG GLU A 22 4.981 3.259 -8.081 1.00 0.00 C ATOM 234 CD GLU A 22 5.234 4.571 -7.344 1.00 0.00 C ATOM 235 OE1 GLU A 22 5.941 5.405 -7.886 1.00 0.00 O ATOM 236 OE2 GLU A 22 4.718 4.721 -6.249 1.00 0.00 O ATOM 0 H GLU A 22 4.290 2.891 -10.574 1.00 0.00 H new ATOM 0 HA GLU A 22 6.704 1.460 -10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.056 2.742 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.400 3.776 -9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.074 3.338 -8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.820 2.454 -7.364 1.00 0.00 H new ATOM 243 N LEU A 23 4.343 0.380 -8.440 1.00 0.00 N ATOM 244 CA LEU A 23 3.991 -0.728 -7.558 1.00 0.00 C ATOM 245 C LEU A 23 4.347 -2.061 -8.212 1.00 0.00 C ATOM 246 O LEU A 23 5.091 -2.862 -7.647 1.00 0.00 O ATOM 247 CB LEU A 23 2.483 -0.694 -7.249 1.00 0.00 C ATOM 248 CG LEU A 23 2.242 -0.147 -5.835 1.00 0.00 C ATOM 249 CD1 LEU A 23 0.797 0.345 -5.718 1.00 0.00 C ATOM 250 CD2 LEU A 23 2.480 -1.256 -4.804 1.00 0.00 C ATOM 0 H LEU A 23 3.579 1.024 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 23 4.554 -0.626 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.969 -0.070 -7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.064 -1.697 -7.335 1.00 0.00 H new ATOM 0 HG LEU A 23 2.929 0.678 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.625 0.734 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.621 1.135 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.114 -0.483 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.308 -0.864 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.794 -2.082 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.507 -1.612 -4.883 1.00 0.00 H new ATOM 262 N ARG A 24 3.812 -2.288 -9.407 1.00 0.00 N ATOM 263 CA ARG A 24 4.077 -3.529 -10.127 1.00 0.00 C ATOM 264 C ARG A 24 5.562 -3.666 -10.443 1.00 0.00 C ATOM 265 O ARG A 24 6.175 -4.697 -10.161 1.00 0.00 O ATOM 266 CB ARG A 24 3.270 -3.556 -11.429 1.00 0.00 C ATOM 267 CG ARG A 24 3.628 -4.813 -12.243 1.00 0.00 C ATOM 268 CD ARG A 24 4.582 -4.441 -13.382 1.00 0.00 C ATOM 269 NE ARG A 24 5.241 -5.637 -13.897 1.00 0.00 N ATOM 270 CZ ARG A 24 5.781 -5.655 -15.111 1.00 0.00 C ATOM 271 NH1 ARG A 24 5.727 -4.592 -15.866 1.00 0.00 N ATOM 272 NH2 ARG A 24 6.365 -6.738 -15.548 1.00 0.00 N ATOM 0 H ARG A 24 3.198 -1.636 -9.894 1.00 0.00 H new ATOM 0 HA ARG A 24 3.778 -4.364 -9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.203 -3.549 -11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.479 -2.661 -12.015 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.093 -5.556 -11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.723 -5.265 -12.648 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.030 -3.948 -14.182 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.328 -3.731 -13.024 1.00 0.00 H new ATOM 0 HE ARG A 24 5.288 -6.473 -13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.270 -3.746 -15.524 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.142 -4.607 -16.798 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.406 -7.569 -14.958 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.780 -6.753 -16.480 1.00 0.00 H new ATOM 286 N ASP A 25 6.135 -2.628 -11.035 1.00 0.00 N ATOM 287 CA ASP A 25 7.546 -2.654 -11.390 1.00 0.00 C ATOM 288 C ASP A 25 8.410 -2.957 -10.170 1.00 0.00 C ATOM 289 O ASP A 25 9.222 -3.881 -10.187 1.00 0.00 O ATOM 290 CB ASP A 25 7.959 -1.309 -11.989 1.00 0.00 C ATOM 291 CG ASP A 25 9.306 -1.442 -12.692 1.00 0.00 C ATOM 292 OD1 ASP A 25 9.318 -1.886 -13.828 1.00 0.00 O ATOM 293 OD2 ASP A 25 10.305 -1.097 -12.085 1.00 0.00 O ATOM 0 H ASP A 25 5.649 -1.764 -11.278 1.00 0.00 H new ATOM 0 HA ASP A 25 7.696 -3.443 -12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.203 -0.969 -12.696 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.022 -0.556 -11.204 1.00 0.00 H new ATOM 298 N THR A 26 8.235 -2.171 -9.116 1.00 0.00 N ATOM 299 CA THR A 26 9.014 -2.357 -7.899 1.00 0.00 C ATOM 300 C THR A 26 8.832 -3.763 -7.332 1.00 0.00 C ATOM 301 O THR A 26 9.772 -4.342 -6.786 1.00 0.00 O ATOM 302 CB THR A 26 8.598 -1.331 -6.847 1.00 0.00 C ATOM 303 OG1 THR A 26 8.486 -0.051 -7.454 1.00 0.00 O ATOM 304 CG2 THR A 26 9.651 -1.285 -5.739 1.00 0.00 C ATOM 0 H THR A 26 7.565 -1.403 -9.079 1.00 0.00 H new ATOM 0 HA THR A 26 10.065 -2.219 -8.154 1.00 0.00 H new ATOM 0 HB THR A 26 7.636 -1.614 -6.420 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.553 0.110 -7.708 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.356 -0.553 -4.987 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.735 -2.268 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.614 -1.001 -6.164 1.00 0.00 H new ATOM 312 N ILE A 27 7.624 -4.306 -7.446 1.00 0.00 N ATOM 313 CA ILE A 27 7.359 -5.644 -6.919 1.00 0.00 C ATOM 314 C ILE A 27 7.913 -6.717 -7.857 1.00 0.00 C ATOM 315 O ILE A 27 8.147 -7.852 -7.441 1.00 0.00 O ATOM 316 CB ILE A 27 5.845 -5.840 -6.698 1.00 0.00 C ATOM 317 CG1 ILE A 27 5.607 -6.479 -5.322 1.00 0.00 C ATOM 318 CG2 ILE A 27 5.248 -6.742 -7.787 1.00 0.00 C ATOM 319 CD1 ILE A 27 4.131 -6.859 -5.174 1.00 0.00 C ATOM 0 H ILE A 27 6.825 -3.852 -7.889 1.00 0.00 H new ATOM 0 HA ILE A 27 7.865 -5.744 -5.959 1.00 0.00 H new ATOM 0 HB ILE A 27 5.359 -4.866 -6.746 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.233 -7.364 -5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.894 -5.783 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.180 -6.866 -7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.404 -6.285 -8.764 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.736 -7.716 -7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.968 -7.312 -4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.514 -5.965 -5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.859 -7.571 -5.953 1.00 0.00 H new ATOM 331 N ASN A 28 8.116 -6.355 -9.122 1.00 0.00 N ATOM 332 CA ASN A 28 8.639 -7.306 -10.103 1.00 0.00 C ATOM 333 C ASN A 28 10.109 -7.019 -10.417 1.00 0.00 C ATOM 334 O ASN A 28 10.740 -7.751 -11.178 1.00 0.00 O ATOM 335 CB ASN A 28 7.794 -7.243 -11.389 1.00 0.00 C ATOM 336 CG ASN A 28 8.566 -6.556 -12.513 1.00 0.00 C ATOM 337 OD1 ASN A 28 8.738 -7.128 -13.589 1.00 0.00 O ATOM 338 ND2 ASN A 28 9.043 -5.360 -12.323 1.00 0.00 N ATOM 0 H ASN A 28 7.929 -5.422 -9.490 1.00 0.00 H new ATOM 0 HA ASN A 28 8.577 -8.309 -9.681 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.516 -8.251 -11.696 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.868 -6.702 -11.195 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.561 -4.894 -13.067 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.898 -4.889 -11.430 1.00 0.00 H new ATOM 345 N THR A 29 10.650 -5.956 -9.822 1.00 0.00 N ATOM 346 CA THR A 29 12.051 -5.593 -10.046 1.00 0.00 C ATOM 347 C THR A 29 12.838 -5.683 -8.746 1.00 0.00 C ATOM 348 O THR A 29 13.918 -6.271 -8.702 1.00 0.00 O ATOM 349 CB THR A 29 12.149 -4.166 -10.603 1.00 0.00 C ATOM 350 OG1 THR A 29 11.424 -3.283 -9.761 1.00 0.00 O ATOM 351 CG2 THR A 29 11.573 -4.109 -12.026 1.00 0.00 C ATOM 0 H THR A 29 10.146 -5.336 -9.187 1.00 0.00 H new ATOM 0 HA THR A 29 12.473 -6.292 -10.769 1.00 0.00 H new ATOM 0 HB THR A 29 13.197 -3.868 -10.636 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.529 -3.648 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.649 -3.091 -12.409 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.135 -4.783 -12.673 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.526 -4.412 -12.007 1.00 0.00 H new ATOM 359 N SER A 30 12.290 -5.096 -7.686 1.00 0.00 N ATOM 360 CA SER A 30 12.951 -5.115 -6.384 1.00 0.00 C ATOM 361 C SER A 30 12.476 -6.314 -5.568 1.00 0.00 C ATOM 362 O SER A 30 11.498 -6.972 -5.923 1.00 0.00 O ATOM 363 CB SER A 30 12.651 -3.817 -5.631 1.00 0.00 C ATOM 364 OG SER A 30 13.760 -2.936 -5.756 1.00 0.00 O ATOM 0 H SER A 30 11.396 -4.604 -7.702 1.00 0.00 H new ATOM 0 HA SER A 30 14.027 -5.200 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.752 -3.349 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.457 -4.029 -4.580 1.00 0.00 H new ATOM 0 HG SER A 30 13.571 -2.102 -5.276 1.00 0.00 H new ATOM 370 N CYS A 31 13.176 -6.594 -4.474 1.00 0.00 N ATOM 371 CA CYS A 31 12.814 -7.717 -3.617 1.00 0.00 C ATOM 372 C CYS A 31 13.378 -7.531 -2.214 1.00 0.00 C ATOM 373 O CYS A 31 14.586 -7.365 -2.037 1.00 0.00 O ATOM 374 CB CYS A 31 13.346 -9.021 -4.215 1.00 0.00 C ATOM 375 SG CYS A 31 12.767 -10.421 -3.222 1.00 0.00 S ATOM 0 H CYS A 31 13.990 -6.064 -4.162 1.00 0.00 H new ATOM 0 HA CYS A 31 11.727 -7.762 -3.552 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.006 -9.127 -5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 31 14.436 -9.005 -4.239 1.00 0.00 H new ATOM 0 HG CYS A 31 13.217 -11.529 -3.731 1.00 0.00 H new ATOM 381 N ASP A 32 12.498 -7.567 -1.222 1.00 0.00 N ATOM 382 CA ASP A 32 12.912 -7.408 0.167 1.00 0.00 C ATOM 383 C ASP A 32 11.721 -7.626 1.097 1.00 0.00 C ATOM 384 O ASP A 32 10.633 -7.103 0.857 1.00 0.00 O ATOM 385 CB ASP A 32 13.497 -6.005 0.391 1.00 0.00 C ATOM 386 CG ASP A 32 14.640 -6.067 1.401 1.00 0.00 C ATOM 387 OD1 ASP A 32 14.548 -6.859 2.324 1.00 0.00 O ATOM 388 OD2 ASP A 32 15.590 -5.319 1.236 1.00 0.00 O ATOM 0 H ASP A 32 11.496 -7.704 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 32 13.679 -8.150 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.858 -5.598 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.719 -5.332 0.751 1.00 0.00 H new ATOM 393 N ILE A 33 11.934 -8.400 2.154 1.00 0.00 N ATOM 394 CA ILE A 33 10.870 -8.682 3.111 1.00 0.00 C ATOM 395 C ILE A 33 10.013 -7.439 3.348 1.00 0.00 C ATOM 396 O ILE A 33 8.789 -7.526 3.438 1.00 0.00 O ATOM 397 CB ILE A 33 11.473 -9.149 4.440 1.00 0.00 C ATOM 398 CG1 ILE A 33 12.737 -8.330 4.751 1.00 0.00 C ATOM 399 CG2 ILE A 33 11.837 -10.634 4.345 1.00 0.00 C ATOM 400 CD1 ILE A 33 12.908 -8.196 6.265 1.00 0.00 C ATOM 0 H ILE A 33 12.828 -8.841 2.370 1.00 0.00 H new ATOM 0 HA ILE A 33 10.239 -9.470 2.700 1.00 0.00 H new ATOM 0 HB ILE A 33 10.743 -9.004 5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.612 -8.816 4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.663 -7.343 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.266 -10.965 5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.940 -11.215 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.564 -10.780 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.805 -7.615 6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.039 -7.691 6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.002 -9.187 6.710 1.00 0.00 H new ATOM 412 N GLU A 34 10.667 -6.286 3.453 1.00 0.00 N ATOM 413 CA GLU A 34 9.957 -5.035 3.689 1.00 0.00 C ATOM 414 C GLU A 34 9.250 -4.557 2.423 1.00 0.00 C ATOM 415 O GLU A 34 8.056 -4.258 2.445 1.00 0.00 O ATOM 416 CB GLU A 34 10.939 -3.961 4.169 1.00 0.00 C ATOM 417 CG GLU A 34 12.044 -4.609 5.009 1.00 0.00 C ATOM 418 CD GLU A 34 12.624 -3.593 5.989 1.00 0.00 C ATOM 419 OE1 GLU A 34 11.848 -2.983 6.707 1.00 0.00 O ATOM 420 OE2 GLU A 34 13.834 -3.440 6.006 1.00 0.00 O ATOM 0 H GLU A 34 11.680 -6.193 3.379 1.00 0.00 H new ATOM 0 HA GLU A 34 9.204 -5.211 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.375 -3.445 3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.413 -3.211 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.643 -5.463 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.832 -4.988 4.358 1.00 0.00 H new ATOM 427 N LEU A 35 9.992 -4.480 1.323 1.00 0.00 N ATOM 428 CA LEU A 35 9.414 -4.027 0.061 1.00 0.00 C ATOM 429 C LEU A 35 8.177 -4.855 -0.282 1.00 0.00 C ATOM 430 O LEU A 35 7.109 -4.309 -0.555 1.00 0.00 O ATOM 431 CB LEU A 35 10.447 -4.155 -1.072 1.00 0.00 C ATOM 432 CG LEU A 35 10.276 -3.025 -2.108 1.00 0.00 C ATOM 433 CD1 LEU A 35 8.791 -2.812 -2.432 1.00 0.00 C ATOM 434 CD2 LEU A 35 10.868 -1.716 -1.568 1.00 0.00 C ATOM 0 H LEU A 35 10.982 -4.722 1.278 1.00 0.00 H new ATOM 0 HA LEU A 35 9.126 -2.981 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.454 -4.122 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.336 -5.122 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 35 10.803 -3.315 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.690 -2.011 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.372 -3.732 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.255 -2.541 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.741 -0.926 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.354 -1.437 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.930 -1.854 -1.363 1.00 0.00 H new ATOM 446 N LEU A 36 8.335 -6.174 -0.272 1.00 0.00 N ATOM 447 CA LEU A 36 7.229 -7.070 -0.589 1.00 0.00 C ATOM 448 C LEU A 36 6.126 -6.967 0.460 1.00 0.00 C ATOM 449 O LEU A 36 4.959 -6.765 0.126 1.00 0.00 O ATOM 450 CB LEU A 36 7.729 -8.513 -0.671 1.00 0.00 C ATOM 451 CG LEU A 36 8.970 -8.579 -1.567 1.00 0.00 C ATOM 452 CD1 LEU A 36 9.419 -10.035 -1.707 1.00 0.00 C ATOM 453 CD2 LEU A 36 8.637 -8.012 -2.951 1.00 0.00 C ATOM 0 H LEU A 36 9.212 -6.644 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 36 6.818 -6.773 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.968 -8.882 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.946 -9.157 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 36 9.771 -7.991 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.302 -10.084 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.659 -10.438 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.616 -10.622 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.521 -8.060 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.835 -8.597 -3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.317 -6.975 -2.852 1.00 0.00 H new ATOM 465 N ALA A 37 6.497 -7.106 1.730 1.00 0.00 N ATOM 466 CA ALA A 37 5.517 -7.024 2.807 1.00 0.00 C ATOM 467 C ALA A 37 4.712 -5.735 2.692 1.00 0.00 C ATOM 468 O ALA A 37 3.482 -5.759 2.698 1.00 0.00 O ATOM 469 CB ALA A 37 6.218 -7.069 4.166 1.00 0.00 C ATOM 0 H ALA A 37 7.456 -7.274 2.035 1.00 0.00 H new ATOM 0 HA ALA A 37 4.842 -7.876 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.475 -7.007 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.772 -8.003 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.908 -6.229 4.248 1.00 0.00 H new ATOM 475 N ALA A 38 5.415 -4.614 2.584 1.00 0.00 N ATOM 476 CA ALA A 38 4.753 -3.320 2.467 1.00 0.00 C ATOM 477 C ALA A 38 3.869 -3.288 1.223 1.00 0.00 C ATOM 478 O ALA A 38 2.711 -2.875 1.284 1.00 0.00 O ATOM 479 CB ALA A 38 5.796 -2.203 2.396 1.00 0.00 C ATOM 0 H ALA A 38 6.434 -4.574 2.575 1.00 0.00 H new ATOM 0 HA ALA A 38 4.127 -3.167 3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.293 -1.240 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.403 -2.214 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.436 -2.358 1.528 1.00 0.00 H new ATOM 485 N CYS A 39 4.421 -3.730 0.096 1.00 0.00 N ATOM 486 CA CYS A 39 3.667 -3.750 -1.152 1.00 0.00 C ATOM 487 C CYS A 39 2.361 -4.514 -0.965 1.00 0.00 C ATOM 488 O CYS A 39 1.293 -4.051 -1.370 1.00 0.00 O ATOM 489 CB CYS A 39 4.490 -4.414 -2.258 1.00 0.00 C ATOM 490 SG CYS A 39 3.748 -4.043 -3.866 1.00 0.00 S ATOM 0 H CYS A 39 5.378 -4.076 0.022 1.00 0.00 H new ATOM 0 HA CYS A 39 3.446 -2.722 -1.437 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.518 -4.053 -2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.526 -5.492 -2.102 1.00 0.00 H new ATOM 0 HG CYS A 39 2.652 -4.727 -4.006 1.00 0.00 H new ATOM 496 N ARG A 40 2.455 -5.685 -0.342 1.00 0.00 N ATOM 497 CA ARG A 40 1.279 -6.508 -0.098 1.00 0.00 C ATOM 498 C ARG A 40 0.265 -5.747 0.749 1.00 0.00 C ATOM 499 O ARG A 40 -0.927 -5.725 0.438 1.00 0.00 O ATOM 500 CB ARG A 40 1.684 -7.796 0.620 1.00 0.00 C ATOM 501 CG ARG A 40 0.511 -8.779 0.618 1.00 0.00 C ATOM 502 CD ARG A 40 0.795 -9.915 1.602 1.00 0.00 C ATOM 503 NE ARG A 40 1.923 -10.715 1.138 1.00 0.00 N ATOM 504 CZ ARG A 40 2.431 -11.688 1.887 1.00 0.00 C ATOM 505 NH1 ARG A 40 1.919 -11.942 3.061 1.00 0.00 N ATOM 506 NH2 ARG A 40 3.441 -12.389 1.451 1.00 0.00 N ATOM 0 H ARG A 40 3.330 -6.082 0.001 1.00 0.00 H new ATOM 0 HA ARG A 40 0.823 -6.756 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.547 -8.243 0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.983 -7.574 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.409 -8.264 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.361 -9.181 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.012 -9.505 2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.088 -10.545 1.706 1.00 0.00 H new ATOM 0 HE ARG A 40 2.329 -10.524 0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.130 -11.394 3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.308 -12.689 3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.842 -12.191 0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.830 -13.136 2.027 1.00 0.00 H new ATOM 520 N GLU A 41 0.746 -5.119 1.817 1.00 0.00 N ATOM 521 CA GLU A 41 -0.126 -4.356 2.699 1.00 0.00 C ATOM 522 C GLU A 41 -0.907 -3.316 1.901 1.00 0.00 C ATOM 523 O GLU A 41 -2.113 -3.155 2.086 1.00 0.00 O ATOM 524 CB GLU A 41 0.704 -3.659 3.780 1.00 0.00 C ATOM 525 CG GLU A 41 1.172 -4.687 4.812 1.00 0.00 C ATOM 526 CD GLU A 41 1.892 -3.986 5.957 1.00 0.00 C ATOM 527 OE1 GLU A 41 1.213 -3.482 6.838 1.00 0.00 O ATOM 528 OE2 GLU A 41 3.112 -3.963 5.940 1.00 0.00 O ATOM 0 H GLU A 41 1.729 -5.124 2.091 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.830 -5.041 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.564 -3.164 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.110 -2.885 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.317 -5.244 5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.838 -5.410 4.341 1.00 0.00 H new ATOM 535 N GLU A 42 -0.209 -2.616 1.012 1.00 0.00 N ATOM 536 CA GLU A 42 -0.849 -1.598 0.187 1.00 0.00 C ATOM 537 C GLU A 42 -1.940 -2.223 -0.675 1.00 0.00 C ATOM 538 O GLU A 42 -3.079 -1.753 -0.689 1.00 0.00 O ATOM 539 CB GLU A 42 0.191 -0.922 -0.709 1.00 0.00 C ATOM 540 CG GLU A 42 1.189 -0.152 0.158 1.00 0.00 C ATOM 541 CD GLU A 42 0.539 1.115 0.703 1.00 0.00 C ATOM 542 OE1 GLU A 42 0.580 2.122 0.015 1.00 0.00 O ATOM 543 OE2 GLU A 42 0.007 1.059 1.800 1.00 0.00 O ATOM 0 H GLU A 42 0.790 -2.733 0.845 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.300 -0.852 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.713 -1.670 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.300 -0.243 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.527 -0.780 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.070 0.106 -0.429 1.00 0.00 H new ATOM 550 N PHE A 43 -1.587 -3.286 -1.387 1.00 0.00 N ATOM 551 CA PHE A 43 -2.548 -3.973 -2.245 1.00 0.00 C ATOM 552 C PHE A 43 -3.726 -4.475 -1.415 1.00 0.00 C ATOM 553 O PHE A 43 -4.885 -4.259 -1.768 1.00 0.00 O ATOM 554 CB PHE A 43 -1.865 -5.153 -2.953 1.00 0.00 C ATOM 555 CG PHE A 43 -1.663 -4.830 -4.417 1.00 0.00 C ATOM 556 CD1 PHE A 43 -0.781 -3.810 -4.792 1.00 0.00 C ATOM 557 CD2 PHE A 43 -2.356 -5.552 -5.398 1.00 0.00 C ATOM 558 CE1 PHE A 43 -0.593 -3.511 -6.148 1.00 0.00 C ATOM 559 CE2 PHE A 43 -2.168 -5.251 -6.751 1.00 0.00 C ATOM 560 CZ PHE A 43 -1.287 -4.230 -7.127 1.00 0.00 C ATOM 0 H PHE A 43 -0.650 -3.690 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.918 -3.273 -2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.905 -5.364 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.474 -6.051 -2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.246 -3.254 -4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.035 -6.341 -5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.088 -2.725 -6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.703 -5.807 -7.507 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.143 -3.998 -8.172 1.00 0.00 H new ATOM 570 N HIS A 44 -3.419 -5.142 -0.308 1.00 0.00 N ATOM 571 CA HIS A 44 -4.459 -5.669 0.570 1.00 0.00 C ATOM 572 C HIS A 44 -5.455 -4.573 0.932 1.00 0.00 C ATOM 573 O HIS A 44 -6.668 -4.778 0.875 1.00 0.00 O ATOM 574 CB HIS A 44 -3.828 -6.234 1.844 1.00 0.00 C ATOM 575 CG HIS A 44 -4.884 -6.919 2.666 1.00 0.00 C ATOM 576 ND1 HIS A 44 -5.313 -8.208 2.393 1.00 0.00 N ATOM 577 CD2 HIS A 44 -5.608 -6.507 3.757 1.00 0.00 C ATOM 578 CE1 HIS A 44 -6.252 -8.524 3.301 1.00 0.00 C ATOM 579 NE2 HIS A 44 -6.471 -7.523 4.157 1.00 0.00 N ATOM 0 H HIS A 44 -2.466 -5.330 0.002 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.987 -6.465 0.045 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.037 -6.939 1.589 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.367 -5.432 2.420 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.977 -8.808 1.640 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.521 -5.541 4.233 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.767 -9.473 3.334 1.00 0.00 H new ATOM 587 N ARG A 45 -4.935 -3.408 1.306 1.00 0.00 N ATOM 588 CA ARG A 45 -5.790 -2.287 1.674 1.00 0.00 C ATOM 589 C ARG A 45 -6.681 -1.886 0.503 1.00 0.00 C ATOM 590 O ARG A 45 -7.905 -1.846 0.628 1.00 0.00 O ATOM 591 CB ARG A 45 -4.929 -1.092 2.095 1.00 0.00 C ATOM 592 CG ARG A 45 -5.822 -0.002 2.689 1.00 0.00 C ATOM 593 CD ARG A 45 -4.959 1.176 3.141 1.00 0.00 C ATOM 594 NE ARG A 45 -5.798 2.328 3.452 1.00 0.00 N ATOM 595 CZ ARG A 45 -5.266 3.481 3.844 1.00 0.00 C ATOM 596 NH1 ARG A 45 -3.970 3.598 3.955 1.00 0.00 N ATOM 597 NH2 ARG A 45 -6.038 4.496 4.117 1.00 0.00 N ATOM 0 H ARG A 45 -3.935 -3.217 1.362 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.422 -2.593 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.185 -1.406 2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.385 -0.702 1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.550 0.330 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.385 -0.399 3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.377 0.894 4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.248 1.436 2.357 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.811 2.247 3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.366 2.804 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.562 4.483 4.256 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.050 4.405 4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.630 5.381 4.418 1.00 0.00 H new ATOM 611 N ARG A 46 -6.061 -1.598 -0.636 1.00 0.00 N ATOM 612 CA ARG A 46 -6.809 -1.206 -1.825 1.00 0.00 C ATOM 613 C ARG A 46 -7.861 -2.259 -2.163 1.00 0.00 C ATOM 614 O ARG A 46 -8.995 -1.928 -2.509 1.00 0.00 O ATOM 615 CB ARG A 46 -5.855 -1.036 -3.011 1.00 0.00 C ATOM 616 CG ARG A 46 -6.581 -0.329 -4.165 1.00 0.00 C ATOM 617 CD ARG A 46 -6.437 1.189 -4.017 1.00 0.00 C ATOM 618 NE ARG A 46 -7.270 1.872 -5.001 1.00 0.00 N ATOM 619 CZ ARG A 46 -7.268 3.197 -5.101 1.00 0.00 C ATOM 620 NH1 ARG A 46 -6.512 3.911 -4.312 1.00 0.00 N ATOM 621 NH2 ARG A 46 -8.023 3.786 -5.990 1.00 0.00 N ATOM 0 H ARG A 46 -5.049 -1.628 -0.761 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.308 -0.258 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.983 -0.456 -2.708 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.492 -2.010 -3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.166 -0.651 -5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.635 -0.605 -4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.726 1.493 -3.011 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.394 1.477 -4.149 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.864 1.323 -5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.922 3.452 -3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.511 4.928 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.614 3.229 -6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.022 4.803 -6.067 1.00 0.00 H new ATOM 635 N LEU A 47 -7.476 -3.527 -2.061 1.00 0.00 N ATOM 636 CA LEU A 47 -8.396 -4.620 -2.359 1.00 0.00 C ATOM 637 C LEU A 47 -9.646 -4.516 -1.492 1.00 0.00 C ATOM 638 O LEU A 47 -10.764 -4.459 -2.003 1.00 0.00 O ATOM 639 CB LEU A 47 -7.704 -5.967 -2.113 1.00 0.00 C ATOM 640 CG LEU A 47 -6.786 -6.305 -3.296 1.00 0.00 C ATOM 641 CD1 LEU A 47 -5.652 -7.218 -2.821 1.00 0.00 C ATOM 642 CD2 LEU A 47 -7.589 -7.026 -4.385 1.00 0.00 C ATOM 0 H LEU A 47 -6.542 -3.822 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.690 -4.552 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.124 -5.925 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.450 -6.751 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.370 -5.382 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.001 -7.457 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.075 -6.710 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.072 -8.138 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.934 -7.264 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.008 -7.947 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.397 -6.380 -4.729 1.00 0.00 H new ATOM 654 N LYS A 48 -9.451 -4.492 -0.177 1.00 0.00 N ATOM 655 CA LYS A 48 -10.575 -4.392 0.749 1.00 0.00 C ATOM 656 C LYS A 48 -11.279 -3.051 0.588 1.00 0.00 C ATOM 657 O LYS A 48 -12.499 -2.993 0.432 1.00 0.00 O ATOM 658 CB LYS A 48 -10.081 -4.544 2.189 1.00 0.00 C ATOM 659 CG LYS A 48 -9.524 -5.953 2.395 1.00 0.00 C ATOM 660 CD LYS A 48 -9.350 -6.223 3.892 1.00 0.00 C ATOM 661 CE LYS A 48 -8.507 -5.112 4.522 1.00 0.00 C ATOM 662 NZ LYS A 48 -9.368 -3.928 4.794 1.00 0.00 N ATOM 0 H LYS A 48 -8.535 -4.540 0.269 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.282 -5.191 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.310 -3.803 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.899 -4.360 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.199 -6.689 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.567 -6.055 1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.324 -6.273 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.868 -7.189 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.054 -5.466 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.692 -4.836 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.149 -3.175 4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.368 -4.198 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.189 -3.583 5.759 1.00 0.00 H new ATOM 676 N VAL A 49 -10.503 -1.973 0.625 1.00 0.00 N ATOM 677 CA VAL A 49 -11.061 -0.633 0.480 1.00 0.00 C ATOM 678 C VAL A 49 -11.903 -0.543 -0.790 1.00 0.00 C ATOM 679 O VAL A 49 -12.985 0.047 -0.788 1.00 0.00 O ATOM 680 CB VAL A 49 -9.928 0.398 0.431 1.00 0.00 C ATOM 681 CG1 VAL A 49 -10.469 1.743 -0.060 1.00 0.00 C ATOM 682 CG2 VAL A 49 -9.334 0.571 1.830 1.00 0.00 C ATOM 0 H VAL A 49 -9.491 -2.000 0.753 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.700 -0.423 1.337 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.156 0.048 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.659 2.471 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.890 1.623 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.245 2.094 0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.528 1.304 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.109 0.916 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.941 -0.384 2.179 1.00 0.00 H new ATOM 692 N TYR A 50 -11.401 -1.127 -1.871 1.00 0.00 N ATOM 693 CA TYR A 50 -12.115 -1.103 -3.143 1.00 0.00 C ATOM 694 C TYR A 50 -13.369 -1.969 -3.069 1.00 0.00 C ATOM 695 O TYR A 50 -14.446 -1.555 -3.496 1.00 0.00 O ATOM 696 CB TYR A 50 -11.206 -1.613 -4.262 1.00 0.00 C ATOM 697 CG TYR A 50 -11.929 -1.510 -5.584 1.00 0.00 C ATOM 698 CD1 TYR A 50 -11.959 -0.291 -6.272 1.00 0.00 C ATOM 699 CD2 TYR A 50 -12.572 -2.632 -6.120 1.00 0.00 C ATOM 700 CE1 TYR A 50 -12.631 -0.196 -7.498 1.00 0.00 C ATOM 701 CE2 TYR A 50 -13.243 -2.537 -7.344 1.00 0.00 C ATOM 702 CZ TYR A 50 -13.273 -1.319 -8.033 1.00 0.00 C ATOM 703 OH TYR A 50 -13.934 -1.224 -9.241 1.00 0.00 O ATOM 0 H TYR A 50 -10.508 -1.620 -1.894 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.409 -0.075 -3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.286 -1.029 -4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.921 -2.648 -4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.465 0.575 -5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -12.550 -3.572 -5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -12.654 0.744 -8.030 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.738 -3.403 -7.757 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.324 -2.094 -9.470 1.00 0.00 H new ATOM 713 N HIS A 51 -13.220 -3.173 -2.525 1.00 0.00 N ATOM 714 CA HIS A 51 -14.349 -4.089 -2.402 1.00 0.00 C ATOM 715 C HIS A 51 -15.286 -3.639 -1.286 1.00 0.00 C ATOM 716 O HIS A 51 -16.448 -4.043 -1.237 1.00 0.00 O ATOM 717 CB HIS A 51 -13.843 -5.502 -2.109 1.00 0.00 C ATOM 718 CG HIS A 51 -15.003 -6.460 -2.109 1.00 0.00 C ATOM 719 ND1 HIS A 51 -15.355 -7.196 -0.988 1.00 0.00 N ATOM 720 CD2 HIS A 51 -15.902 -6.813 -3.085 1.00 0.00 C ATOM 721 CE1 HIS A 51 -16.423 -7.948 -1.315 1.00 0.00 C ATOM 722 NE2 HIS A 51 -16.796 -7.753 -2.582 1.00 0.00 N ATOM 0 H HIS A 51 -12.337 -3.535 -2.165 1.00 0.00 H new ATOM 0 HA HIS A 51 -14.899 -4.088 -3.343 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -13.111 -5.801 -2.859 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.338 -5.526 -1.143 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -15.913 -6.420 -4.091 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.918 -8.626 -0.635 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.570 -8.198 -3.075 1.00 0.00 H new ATOM 730 N ALA A 52 -14.772 -2.801 -0.389 1.00 0.00 N ATOM 731 CA ALA A 52 -15.573 -2.303 0.725 1.00 0.00 C ATOM 732 C ALA A 52 -16.345 -1.053 0.315 1.00 0.00 C ATOM 733 O ALA A 52 -17.572 -1.009 0.411 1.00 0.00 O ATOM 734 CB ALA A 52 -14.666 -1.978 1.913 1.00 0.00 C ATOM 0 H ALA A 52 -13.813 -2.455 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.285 -3.077 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.270 -1.607 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.138 -2.879 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.943 -1.216 1.621 1.00 0.00 H new ATOM 740 N TRP A 53 -15.618 -0.037 -0.139 1.00 0.00 N ATOM 741 CA TRP A 53 -16.244 1.212 -0.560 1.00 0.00 C ATOM 742 C TRP A 53 -17.389 0.937 -1.531 1.00 0.00 C ATOM 743 O TRP A 53 -18.169 1.834 -1.854 1.00 0.00 O ATOM 744 CB TRP A 53 -15.205 2.115 -1.233 1.00 0.00 C ATOM 745 CG TRP A 53 -14.321 2.733 -0.194 1.00 0.00 C ATOM 746 CD1 TRP A 53 -14.157 2.271 1.068 1.00 0.00 C ATOM 747 CD2 TRP A 53 -13.477 3.916 -0.309 1.00 0.00 C ATOM 748 NE1 TRP A 53 -13.267 3.095 1.734 1.00 0.00 N ATOM 749 CE2 TRP A 53 -12.820 4.123 0.928 1.00 0.00 C ATOM 750 CE3 TRP A 53 -13.220 4.820 -1.353 1.00 0.00 C ATOM 751 CZ2 TRP A 53 -11.941 5.189 1.120 1.00 0.00 C ATOM 752 CZ3 TRP A 53 -12.335 5.896 -1.164 1.00 0.00 C ATOM 753 CH2 TRP A 53 -11.697 6.079 0.071 1.00 0.00 C ATOM 0 H TRP A 53 -14.602 -0.053 -0.225 1.00 0.00 H new ATOM 0 HA TRP A 53 -16.644 1.713 0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -14.606 1.535 -1.935 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -15.705 2.894 -1.808 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -14.642 1.401 1.487 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -12.977 2.959 2.702 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -13.706 4.687 -2.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -11.452 5.325 2.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -12.146 6.585 -1.974 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -11.018 6.907 0.211 1.00 0.00 H new ATOM 764 N LYS A 54 -17.484 -0.305 -1.992 1.00 0.00 N ATOM 765 CA LYS A 54 -18.538 -0.683 -2.925 1.00 0.00 C ATOM 766 C LYS A 54 -19.911 -0.396 -2.330 1.00 0.00 C ATOM 767 O LYS A 54 -20.747 0.257 -2.955 1.00 0.00 O ATOM 768 CB LYS A 54 -18.425 -2.174 -3.264 1.00 0.00 C ATOM 769 CG LYS A 54 -19.598 -2.600 -4.162 1.00 0.00 C ATOM 770 CD LYS A 54 -20.639 -3.363 -3.335 1.00 0.00 C ATOM 771 CE LYS A 54 -21.803 -3.777 -4.238 1.00 0.00 C ATOM 772 NZ LYS A 54 -21.341 -4.815 -5.200 1.00 0.00 N ATOM 0 H LYS A 54 -16.849 -1.062 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 54 -18.421 -0.094 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.479 -2.370 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.425 -2.765 -2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -20.056 -1.722 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -19.235 -3.229 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -20.185 -4.244 -2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -21.002 -2.737 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -22.625 -4.164 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -22.185 -2.910 -4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -22.165 -5.300 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.791 -4.365 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.744 -5.507 -4.704 1.00 0.00 H new ATOM 786 N SER A 55 -20.141 -0.890 -1.117 1.00 0.00 N ATOM 787 CA SER A 55 -21.419 -0.682 -0.445 1.00 0.00 C ATOM 788 C SER A 55 -21.800 0.796 -0.463 1.00 0.00 C ATOM 789 O SER A 55 -21.086 1.637 0.082 1.00 0.00 O ATOM 790 CB SER A 55 -21.334 -1.171 1.000 1.00 0.00 C ATOM 791 OG SER A 55 -21.284 -2.592 1.012 1.00 0.00 O ATOM 0 H SER A 55 -19.464 -1.434 -0.582 1.00 0.00 H new ATOM 0 HA SER A 55 -22.184 -1.249 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.448 -0.760 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 55 -22.197 -0.821 1.566 1.00 0.00 H new ATOM 0 HG SER A 55 -21.228 -2.910 1.937 1.00 0.00 H new ATOM 797 N LYS A 56 -22.932 1.102 -1.092 1.00 0.00 N ATOM 798 CA LYS A 56 -23.402 2.482 -1.175 1.00 0.00 C ATOM 799 C LYS A 56 -24.276 2.825 0.028 1.00 0.00 C ATOM 800 O LYS A 56 -25.503 2.731 -0.039 1.00 0.00 O ATOM 801 CB LYS A 56 -24.203 2.683 -2.464 1.00 0.00 C ATOM 802 CG LYS A 56 -23.257 2.673 -3.672 1.00 0.00 C ATOM 803 CD LYS A 56 -22.690 4.080 -3.909 1.00 0.00 C ATOM 804 CE LYS A 56 -23.652 4.884 -4.788 1.00 0.00 C ATOM 805 NZ LYS A 56 -23.107 6.257 -4.993 1.00 0.00 N ATOM 0 H LYS A 56 -23.537 0.419 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 56 -22.535 3.142 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -24.947 1.893 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -24.745 3.628 -2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -22.443 1.968 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -23.791 2.333 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -22.542 4.588 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.714 4.013 -4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -23.786 4.387 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -24.634 4.937 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -23.760 6.804 -5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -23.001 6.729 -4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -22.180 6.196 -5.460 1.00 0.00 H new ATOM 819 N ASN A 57 -23.639 3.224 1.123 1.00 0.00 N ATOM 820 CA ASN A 57 -24.370 3.581 2.335 1.00 0.00 C ATOM 821 C ASN A 57 -24.820 5.036 2.280 1.00 0.00 C ATOM 822 O ASN A 57 -24.257 5.843 1.540 1.00 0.00 O ATOM 823 CB ASN A 57 -23.483 3.367 3.563 1.00 0.00 C ATOM 824 CG ASN A 57 -22.937 1.942 3.571 1.00 0.00 C ATOM 825 OD1 ASN A 57 -23.706 0.982 3.540 1.00 0.00 O ATOM 826 ND2 ASN A 57 -21.647 1.749 3.612 1.00 0.00 N ATOM 0 H ASN A 57 -22.625 3.308 1.198 1.00 0.00 H new ATOM 0 HA ASN A 57 -25.250 2.942 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -22.659 4.081 3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -24.056 3.551 4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.273 0.800 3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -21.012 2.547 3.638 1.00 0.00 H new ATOM 833 N LYS A 58 -25.836 5.367 3.070 1.00 0.00 N ATOM 834 CA LYS A 58 -26.352 6.731 3.104 1.00 0.00 C ATOM 835 C LYS A 58 -27.178 6.956 4.367 1.00 0.00 C ATOM 836 O LYS A 58 -27.648 8.064 4.627 1.00 0.00 O ATOM 837 CB LYS A 58 -27.216 6.994 1.867 1.00 0.00 C ATOM 838 CG LYS A 58 -27.650 8.462 1.841 1.00 0.00 C ATOM 839 CD LYS A 58 -28.083 8.844 0.425 1.00 0.00 C ATOM 840 CE LYS A 58 -28.817 10.186 0.457 1.00 0.00 C ATOM 841 NZ LYS A 58 -29.318 10.512 -0.908 1.00 0.00 N ATOM 0 H LYS A 58 -26.316 4.715 3.691 1.00 0.00 H new ATOM 0 HA LYS A 58 -25.509 7.422 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -26.656 6.755 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -28.092 6.346 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -28.472 8.621 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -26.828 9.100 2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -27.212 8.910 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -28.733 8.072 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -29.649 10.141 1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -28.146 10.971 0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -29.817 11.424 -0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -28.516 10.572 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -29.972 9.768 -1.225 1.00 0.00 H new ATOM 855 N LYS A 59 -27.344 5.896 5.150 1.00 0.00 N ATOM 856 CA LYS A 59 -28.112 5.984 6.388 1.00 0.00 C ATOM 857 C LYS A 59 -29.537 6.448 6.104 1.00 0.00 C ATOM 858 O LYS A 59 -29.777 7.219 5.175 1.00 0.00 O ATOM 859 CB LYS A 59 -27.437 6.962 7.352 1.00 0.00 C ATOM 860 CG LYS A 59 -28.003 6.766 8.760 1.00 0.00 C ATOM 861 CD LYS A 59 -27.252 7.668 9.742 1.00 0.00 C ATOM 862 CE LYS A 59 -27.700 7.353 11.170 1.00 0.00 C ATOM 863 NZ LYS A 59 -26.805 8.048 12.136 1.00 0.00 N ATOM 0 H LYS A 59 -26.961 4.972 4.952 1.00 0.00 H new ATOM 0 HA LYS A 59 -28.149 4.994 6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.359 6.799 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.603 7.987 7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -29.067 7.003 8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.906 5.723 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -26.177 7.514 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -27.446 8.715 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -28.731 7.674 11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -27.673 6.277 11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.109 7.834 13.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -25.827 7.722 12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -26.853 9.075 11.977 1.00 0.00 H new ATOM 877 N ARG A 60 -30.481 5.972 6.911 1.00 0.00 N ATOM 878 CA ARG A 60 -31.880 6.346 6.739 1.00 0.00 C ATOM 879 C ARG A 60 -32.153 7.706 7.371 1.00 0.00 C ATOM 880 O ARG A 60 -31.344 8.600 7.180 1.00 0.00 O ATOM 881 CB ARG A 60 -32.785 5.293 7.379 1.00 0.00 C ATOM 882 CG ARG A 60 -32.446 3.913 6.811 1.00 0.00 C ATOM 883 CD ARG A 60 -33.552 2.923 7.179 1.00 0.00 C ATOM 884 NE ARG A 60 -33.240 1.599 6.656 1.00 0.00 N ATOM 885 CZ ARG A 60 -32.289 0.850 7.205 1.00 0.00 C ATOM 886 NH1 ARG A 60 -31.618 1.297 8.231 1.00 0.00 N ATOM 887 NH2 ARG A 60 -32.027 -0.332 6.718 1.00 0.00 N ATOM 888 OXT ARG A 60 -33.166 7.836 8.038 1.00 0.00 O ATOM 0 H ARG A 60 -30.304 5.331 7.685 1.00 0.00 H new ATOM 0 HA ARG A 60 -32.091 6.405 5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -32.653 5.295 8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -33.831 5.531 7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -32.340 3.970 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -31.490 3.570 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -33.662 2.877 8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -34.505 3.265 6.776 1.00 0.00 H new ATOM 0 HE ARG A 60 -33.760 1.241 5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -31.823 2.221 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -30.888 0.723 8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -32.552 -0.681 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -31.297 -0.907 7.139 1.00 0.00 H new TER 902 ARG A 60