USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 487 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 NoAdj-H: A 42 HIS HD1 : A 42 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 7:sc= 0.336 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.5) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc=-0.00263 (180deg=-0.11) USER MOD Single : A 23 THR OG1 : rot -160:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.688) USER MOD Single : A 31 MET CE :methyl -146:sc= -1.01 (180deg=-3.55!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 43 THR OG1 : rot -75:sc= 0.287 USER MOD Single : A 49 ASN : amide:sc= -3.8! C(o=-3.8!,f=-1.7!) USER MOD Single : A 50 ASN : amide:sc= -0.348 K(o=-0.35,f=-0.89) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0828 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.651 -8.176 15.666 1.00 0.00 N ATOM 2 CA GLY A 1 1.306 -7.086 14.967 1.00 0.00 C ATOM 3 C GLY A 1 2.101 -6.194 15.899 1.00 0.00 C ATOM 4 O GLY A 1 2.293 -6.523 17.070 1.00 0.00 O ATOM 0 H1 GLY A 1 0.928 -9.081 15.235 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.935 -8.167 16.666 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.380 -8.062 15.598 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.970 -7.494 14.205 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.556 -6.488 14.449 1.00 0.00 H new ATOM 8 N SER A 2 2.566 -5.063 15.380 1.00 0.00 N ATOM 9 CA SER A 2 3.350 -4.123 16.173 1.00 0.00 C ATOM 10 C SER A 2 2.457 -3.346 17.135 1.00 0.00 C ATOM 11 O SER A 2 1.240 -3.286 16.957 1.00 0.00 O ATOM 12 CB SER A 2 4.100 -3.152 15.258 1.00 0.00 C ATOM 13 OG SER A 2 5.068 -2.413 15.982 1.00 0.00 O ATOM 0 H SER A 2 2.414 -4.775 14.414 1.00 0.00 H new ATOM 0 HA SER A 2 4.073 -4.693 16.756 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.587 -3.706 14.455 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.392 -2.468 14.790 1.00 0.00 H new ATOM 0 HG SER A 2 5.534 -1.801 15.375 1.00 0.00 H new ATOM 19 N SER A 3 3.070 -2.752 18.154 1.00 0.00 N ATOM 20 CA SER A 3 2.331 -1.982 19.147 1.00 0.00 C ATOM 21 C SER A 3 2.828 -0.540 19.196 1.00 0.00 C ATOM 22 O SER A 3 3.898 -0.223 18.679 1.00 0.00 O ATOM 23 CB SER A 3 2.466 -2.627 20.527 1.00 0.00 C ATOM 24 OG SER A 3 3.701 -2.285 21.132 1.00 0.00 O ATOM 0 H SER A 3 4.077 -2.789 18.313 1.00 0.00 H new ATOM 0 HA SER A 3 1.280 -1.976 18.858 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.643 -2.304 21.165 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.391 -3.710 20.434 1.00 0.00 H new ATOM 0 HG SER A 3 3.762 -2.709 22.014 1.00 0.00 H new ATOM 30 N GLY A 4 2.041 0.329 19.822 1.00 0.00 N ATOM 31 CA GLY A 4 2.416 1.727 19.928 1.00 0.00 C ATOM 32 C GLY A 4 2.711 2.142 21.355 1.00 0.00 C ATOM 33 O GLY A 4 2.124 1.611 22.297 1.00 0.00 O ATOM 0 H GLY A 4 1.150 0.090 20.258 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.295 1.912 19.310 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.612 2.347 19.532 1.00 0.00 H new ATOM 37 N SER A 5 3.626 3.093 21.517 1.00 0.00 N ATOM 38 CA SER A 5 4.002 3.575 22.841 1.00 0.00 C ATOM 39 C SER A 5 3.546 5.017 23.044 1.00 0.00 C ATOM 40 O SER A 5 3.255 5.436 24.164 1.00 0.00 O ATOM 41 CB SER A 5 5.517 3.476 23.031 1.00 0.00 C ATOM 42 OG SER A 5 6.201 4.340 22.141 1.00 0.00 O ATOM 0 H SER A 5 4.120 3.545 20.748 1.00 0.00 H new ATOM 0 HA SER A 5 3.508 2.948 23.583 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.775 3.730 24.059 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.841 2.448 22.866 1.00 0.00 H new ATOM 0 HG SER A 5 7.167 4.259 22.284 1.00 0.00 H new ATOM 48 N SER A 6 3.486 5.772 21.951 1.00 0.00 N ATOM 49 CA SER A 6 3.069 7.168 22.008 1.00 0.00 C ATOM 50 C SER A 6 2.436 7.600 20.689 1.00 0.00 C ATOM 51 O SER A 6 2.469 6.867 19.702 1.00 0.00 O ATOM 52 CB SER A 6 4.265 8.066 22.332 1.00 0.00 C ATOM 53 OG SER A 6 4.672 7.908 23.680 1.00 0.00 O ATOM 0 H SER A 6 3.721 5.440 21.016 1.00 0.00 H new ATOM 0 HA SER A 6 2.324 7.268 22.798 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.095 7.825 21.668 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.002 9.108 22.148 1.00 0.00 H new ATOM 0 HG SER A 6 4.169 7.174 24.090 1.00 0.00 H new ATOM 59 N GLY A 7 1.858 8.798 20.682 1.00 0.00 N ATOM 60 CA GLY A 7 1.225 9.308 19.480 1.00 0.00 C ATOM 61 C GLY A 7 0.173 10.357 19.780 1.00 0.00 C ATOM 62 O GLY A 7 -0.439 10.345 20.848 1.00 0.00 O ATOM 0 H GLY A 7 1.817 9.423 21.487 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.985 9.736 18.827 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.766 8.482 18.936 1.00 0.00 H new ATOM 66 N MET A 8 -0.038 11.269 18.836 1.00 0.00 N ATOM 67 CA MET A 8 -1.023 12.331 19.006 1.00 0.00 C ATOM 68 C MET A 8 -1.230 13.094 17.702 1.00 0.00 C ATOM 69 O MET A 8 -0.341 13.140 16.852 1.00 0.00 O ATOM 70 CB MET A 8 -0.582 13.294 20.110 1.00 0.00 C ATOM 71 CG MET A 8 -1.741 13.945 20.847 1.00 0.00 C ATOM 72 SD MET A 8 -2.363 12.926 22.199 1.00 0.00 S ATOM 73 CE MET A 8 -2.285 14.087 23.561 1.00 0.00 C ATOM 0 H MET A 8 0.460 11.294 17.946 1.00 0.00 H new ATOM 0 HA MET A 8 -1.969 11.872 19.292 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.036 12.753 20.827 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.043 14.073 19.673 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.420 14.909 21.241 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.550 14.142 20.143 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.639 13.604 24.472 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.255 14.415 23.701 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.914 14.949 23.340 1.00 0.00 H new ATOM 83 N GLU A 9 -2.408 13.691 17.551 1.00 0.00 N ATOM 84 CA GLU A 9 -2.731 14.450 16.348 1.00 0.00 C ATOM 85 C GLU A 9 -2.114 15.845 16.405 1.00 0.00 C ATOM 86 O GLU A 9 -2.791 16.822 16.725 1.00 0.00 O ATOM 87 CB GLU A 9 -4.247 14.558 16.178 1.00 0.00 C ATOM 88 CG GLU A 9 -4.944 13.213 16.060 1.00 0.00 C ATOM 89 CD GLU A 9 -6.379 13.338 15.586 1.00 0.00 C ATOM 90 OE1 GLU A 9 -6.680 14.302 14.852 1.00 0.00 O ATOM 91 OE2 GLU A 9 -7.201 12.471 15.950 1.00 0.00 O ATOM 0 H GLU A 9 -3.154 13.664 18.246 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.314 13.921 15.491 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.662 15.099 17.028 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.463 15.149 15.288 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.390 12.581 15.366 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.928 12.714 17.029 1.00 0.00 H new ATOM 98 N ARG A 10 -0.825 15.929 16.092 1.00 0.00 N ATOM 99 CA ARG A 10 -0.116 17.202 16.108 1.00 0.00 C ATOM 100 C ARG A 10 1.311 17.037 15.592 1.00 0.00 C ATOM 101 O ARG A 10 2.060 16.186 16.070 1.00 0.00 O ATOM 102 CB ARG A 10 -0.093 17.780 17.525 1.00 0.00 C ATOM 103 CG ARG A 10 0.341 19.235 17.582 1.00 0.00 C ATOM 104 CD ARG A 10 0.979 19.573 18.921 1.00 0.00 C ATOM 105 NE ARG A 10 0.872 20.996 19.234 1.00 0.00 N ATOM 106 CZ ARG A 10 -0.235 21.565 19.699 1.00 0.00 C ATOM 107 NH1 ARG A 10 -1.323 20.836 19.903 1.00 0.00 N ATOM 108 NH2 ARG A 10 -0.254 22.866 19.960 1.00 0.00 N ATOM 0 H ARG A 10 -0.251 15.130 15.824 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.645 17.891 15.450 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.088 17.689 17.962 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.581 17.184 18.140 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.050 19.436 16.779 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.522 19.880 17.415 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.499 18.991 19.708 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.030 19.283 18.906 1.00 0.00 H new ATOM 0 HE ARG A 10 1.692 21.585 19.088 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.312 19.836 19.703 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.172 21.275 20.260 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.582 23.430 19.804 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.104 23.302 20.317 1.00 0.00 H new ATOM 122 N GLY A 11 1.679 17.857 14.613 1.00 0.00 N ATOM 123 CA GLY A 11 3.014 17.785 14.048 1.00 0.00 C ATOM 124 C GLY A 11 3.014 17.939 12.540 1.00 0.00 C ATOM 125 O GLY A 11 3.006 19.056 12.022 1.00 0.00 O ATOM 0 H GLY A 11 1.077 18.570 14.201 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.635 18.564 14.490 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.466 16.829 14.313 1.00 0.00 H new ATOM 129 N VAL A 12 3.026 16.814 11.832 1.00 0.00 N ATOM 130 CA VAL A 12 3.028 16.828 10.374 1.00 0.00 C ATOM 131 C VAL A 12 1.675 17.268 9.826 1.00 0.00 C ATOM 132 O VAL A 12 0.630 16.937 10.386 1.00 0.00 O ATOM 133 CB VAL A 12 3.375 15.441 9.800 1.00 0.00 C ATOM 134 CG1 VAL A 12 2.346 14.409 10.237 1.00 0.00 C ATOM 135 CG2 VAL A 12 3.469 15.502 8.282 1.00 0.00 C ATOM 0 H VAL A 12 3.034 15.881 12.245 1.00 0.00 H new ATOM 0 HA VAL A 12 3.791 17.543 10.066 1.00 0.00 H new ATOM 0 HB VAL A 12 4.346 15.138 10.190 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.608 13.436 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.332 14.347 11.325 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.360 14.703 9.877 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.715 14.514 7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.513 15.826 7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.247 16.209 7.994 1.00 0.00 H new ATOM 145 N ASP A 13 1.702 18.017 8.729 1.00 0.00 N ATOM 146 CA ASP A 13 0.478 18.503 8.104 1.00 0.00 C ATOM 147 C ASP A 13 -0.417 17.340 7.686 1.00 0.00 C ATOM 148 O ASP A 13 -0.117 16.181 7.969 1.00 0.00 O ATOM 149 CB ASP A 13 0.809 19.370 6.889 1.00 0.00 C ATOM 150 CG ASP A 13 -0.232 20.445 6.644 1.00 0.00 C ATOM 151 OD1 ASP A 13 -1.241 20.151 5.970 1.00 0.00 O ATOM 152 OD2 ASP A 13 -0.038 21.580 7.127 1.00 0.00 O ATOM 0 H ASP A 13 2.559 18.301 8.254 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.059 19.107 8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.783 19.838 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.888 18.737 6.005 1.00 0.00 H new ATOM 157 N ASN A 14 -1.516 17.659 7.010 1.00 0.00 N ATOM 158 CA ASN A 14 -2.455 16.641 6.554 1.00 0.00 C ATOM 159 C ASN A 14 -1.723 15.358 6.172 1.00 0.00 C ATOM 160 O ASN A 14 -1.756 14.370 6.906 1.00 0.00 O ATOM 161 CB ASN A 14 -3.260 17.158 5.360 1.00 0.00 C ATOM 162 CG ASN A 14 -4.120 16.078 4.731 1.00 0.00 C ATOM 163 OD1 ASN A 14 -3.665 15.335 3.861 1.00 0.00 O ATOM 164 ND2 ASN A 14 -5.370 15.987 5.170 1.00 0.00 N ATOM 0 H ASN A 14 -1.778 18.614 6.766 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.138 16.418 7.374 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.896 17.982 5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.577 17.557 4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.996 15.280 4.784 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.704 16.624 5.893 1.00 0.00 H new ATOM 171 N TRP A 15 -1.064 15.381 5.019 1.00 0.00 N ATOM 172 CA TRP A 15 -0.323 14.220 4.539 1.00 0.00 C ATOM 173 C TRP A 15 0.327 13.471 5.698 1.00 0.00 C ATOM 174 O TRP A 15 1.229 13.988 6.357 1.00 0.00 O ATOM 175 CB TRP A 15 0.745 14.651 3.532 1.00 0.00 C ATOM 176 CG TRP A 15 1.711 15.656 4.084 1.00 0.00 C ATOM 177 CD1 TRP A 15 1.614 16.317 5.275 1.00 0.00 C ATOM 178 CD2 TRP A 15 2.917 16.114 3.465 1.00 0.00 C ATOM 179 NE1 TRP A 15 2.688 17.159 5.434 1.00 0.00 N ATOM 180 CE2 TRP A 15 3.503 17.053 4.338 1.00 0.00 C ATOM 181 CE3 TRP A 15 3.561 15.822 2.260 1.00 0.00 C ATOM 182 CZ2 TRP A 15 4.699 17.700 4.040 1.00 0.00 C ATOM 183 CZ3 TRP A 15 4.749 16.465 1.966 1.00 0.00 C ATOM 184 CH2 TRP A 15 5.308 17.394 2.853 1.00 0.00 C ATOM 0 H TRP A 15 -1.028 16.190 4.399 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.027 13.549 4.047 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.297 13.772 3.200 1.00 0.00 H new ATOM 0 HB3 TRP A 15 0.257 15.072 2.653 1.00 0.00 H new ATOM 0 HD1 TRP A 15 0.811 16.196 5.987 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.852 17.765 6.238 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.138 15.107 1.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.131 18.418 4.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.255 16.247 1.037 1.00 0.00 H new ATOM 0 HH2 TRP A 15 6.238 17.878 2.595 1.00 0.00 H new ATOM 195 N LYS A 16 -0.138 12.251 5.943 1.00 0.00 N ATOM 196 CA LYS A 16 0.398 11.430 7.022 1.00 0.00 C ATOM 197 C LYS A 16 1.692 10.745 6.592 1.00 0.00 C ATOM 198 O LYS A 16 1.675 9.807 5.795 1.00 0.00 O ATOM 199 CB LYS A 16 -0.629 10.380 7.450 1.00 0.00 C ATOM 200 CG LYS A 16 -0.195 9.559 8.652 1.00 0.00 C ATOM 201 CD LYS A 16 -1.390 9.010 9.414 1.00 0.00 C ATOM 202 CE LYS A 16 -1.855 9.977 10.492 1.00 0.00 C ATOM 203 NZ LYS A 16 -2.749 9.315 11.482 1.00 0.00 N ATOM 0 H LYS A 16 -0.886 11.809 5.408 1.00 0.00 H new ATOM 0 HA LYS A 16 0.616 12.082 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.570 10.878 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.821 9.709 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.437 8.735 8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.409 10.177 9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.208 8.816 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.126 8.056 9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.988 10.392 11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.381 10.812 10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.044 10.007 12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.589 8.941 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.239 8.534 11.943 1.00 0.00 H new ATOM 217 N VAL A 17 2.813 11.218 7.128 1.00 0.00 N ATOM 218 CA VAL A 17 4.115 10.649 6.802 1.00 0.00 C ATOM 219 C VAL A 17 4.712 9.921 8.001 1.00 0.00 C ATOM 220 O VAL A 17 5.349 10.533 8.859 1.00 0.00 O ATOM 221 CB VAL A 17 5.101 11.736 6.333 1.00 0.00 C ATOM 222 CG1 VAL A 17 6.444 11.119 5.972 1.00 0.00 C ATOM 223 CG2 VAL A 17 4.523 12.505 5.154 1.00 0.00 C ATOM 0 H VAL A 17 2.845 11.994 7.790 1.00 0.00 H new ATOM 0 HA VAL A 17 3.956 9.938 5.991 1.00 0.00 H new ATOM 0 HB VAL A 17 5.260 12.437 7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.127 11.902 5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.860 10.617 6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.308 10.395 5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.232 13.269 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.334 11.818 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.588 12.980 5.452 1.00 0.00 H new ATOM 233 N ASP A 18 4.503 8.610 8.054 1.00 0.00 N ATOM 234 CA ASP A 18 5.022 7.796 9.147 1.00 0.00 C ATOM 235 C ASP A 18 5.666 6.520 8.616 1.00 0.00 C ATOM 236 O ASP A 18 5.228 5.963 7.609 1.00 0.00 O ATOM 237 CB ASP A 18 3.901 7.446 10.127 1.00 0.00 C ATOM 238 CG ASP A 18 3.504 8.623 10.997 1.00 0.00 C ATOM 239 OD1 ASP A 18 4.392 9.190 11.668 1.00 0.00 O ATOM 240 OD2 ASP A 18 2.306 8.976 11.008 1.00 0.00 O ATOM 0 H ASP A 18 3.978 8.088 7.353 1.00 0.00 H new ATOM 0 HA ASP A 18 5.783 8.376 9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.030 7.100 9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.222 6.620 10.762 1.00 0.00 H new ATOM 245 N CYS A 19 6.711 6.063 9.299 1.00 0.00 N ATOM 246 CA CYS A 19 7.418 4.853 8.896 1.00 0.00 C ATOM 247 C CYS A 19 8.180 4.251 10.073 1.00 0.00 C ATOM 248 O CYS A 19 8.517 4.947 11.031 1.00 0.00 O ATOM 249 CB CYS A 19 8.386 5.160 7.751 1.00 0.00 C ATOM 250 SG CYS A 19 9.228 3.693 7.076 1.00 0.00 S ATOM 0 H CYS A 19 7.087 6.513 10.134 1.00 0.00 H new ATOM 0 HA CYS A 19 6.680 4.128 8.554 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.838 5.653 6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.137 5.867 8.104 1.00 0.00 H new ATOM 255 N LYS A 20 8.448 2.952 9.994 1.00 0.00 N ATOM 256 CA LYS A 20 9.171 2.254 11.051 1.00 0.00 C ATOM 257 C LYS A 20 10.431 3.019 11.444 1.00 0.00 C ATOM 258 O LYS A 20 10.810 3.050 12.616 1.00 0.00 O ATOM 259 CB LYS A 20 9.541 0.840 10.596 1.00 0.00 C ATOM 260 CG LYS A 20 10.544 0.811 9.456 1.00 0.00 C ATOM 261 CD LYS A 20 10.554 -0.538 8.756 1.00 0.00 C ATOM 262 CE LYS A 20 11.246 -1.598 9.599 1.00 0.00 C ATOM 263 NZ LYS A 20 12.721 -1.398 9.640 1.00 0.00 N ATOM 0 H LYS A 20 8.175 2.361 9.209 1.00 0.00 H new ATOM 0 HA LYS A 20 8.519 2.190 11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.951 0.290 11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.636 0.319 10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.301 1.593 8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.540 1.030 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.530 -0.849 8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.061 -0.447 7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.848 -1.572 10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.024 -2.586 9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.176 -2.248 10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.075 -1.228 8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.944 -0.579 10.241 1.00 0.00 H new ATOM 277 N CYS A 21 11.076 3.636 10.460 1.00 0.00 N ATOM 278 CA CYS A 21 12.292 4.401 10.703 1.00 0.00 C ATOM 279 C CYS A 21 12.059 5.468 11.770 1.00 0.00 C ATOM 280 O CYS A 21 12.801 5.554 12.748 1.00 0.00 O ATOM 281 CB CYS A 21 12.774 5.057 9.407 1.00 0.00 C ATOM 282 SG CYS A 21 13.062 3.885 8.043 1.00 0.00 S ATOM 0 H CYS A 21 10.776 3.621 9.485 1.00 0.00 H new ATOM 0 HA CYS A 21 13.058 3.714 11.062 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.036 5.794 9.089 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.699 5.598 9.608 1.00 0.00 H new ATOM 287 N GLY A 22 11.023 6.277 11.573 1.00 0.00 N ATOM 288 CA GLY A 22 10.711 7.327 12.526 1.00 0.00 C ATOM 289 C GLY A 22 10.636 8.695 11.877 1.00 0.00 C ATOM 290 O GLY A 22 10.890 9.712 12.523 1.00 0.00 O ATOM 0 H GLY A 22 10.394 6.225 10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.759 7.104 13.009 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.470 7.341 13.308 1.00 0.00 H new ATOM 294 N THR A 23 10.286 8.722 10.595 1.00 0.00 N ATOM 295 CA THR A 23 10.181 9.975 9.857 1.00 0.00 C ATOM 296 C THR A 23 8.773 10.551 9.951 1.00 0.00 C ATOM 297 O THR A 23 7.785 9.823 9.855 1.00 0.00 O ATOM 298 CB THR A 23 10.548 9.786 8.374 1.00 0.00 C ATOM 299 OG1 THR A 23 11.887 9.288 8.260 1.00 0.00 O ATOM 300 CG2 THR A 23 10.423 11.098 7.614 1.00 0.00 C ATOM 0 H THR A 23 10.070 7.890 10.046 1.00 0.00 H new ATOM 0 HA THR A 23 10.887 10.670 10.312 1.00 0.00 H new ATOM 0 HB THR A 23 9.855 9.066 7.940 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.226 9.465 7.358 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.687 10.939 6.568 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.397 11.459 7.678 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.095 11.837 8.050 1.00 0.00 H new ATOM 308 N LYS A 24 8.687 11.864 10.138 1.00 0.00 N ATOM 309 CA LYS A 24 7.399 12.540 10.243 1.00 0.00 C ATOM 310 C LYS A 24 7.215 13.537 9.104 1.00 0.00 C ATOM 311 O LYS A 24 6.126 14.080 8.912 1.00 0.00 O ATOM 312 CB LYS A 24 7.286 13.259 11.589 1.00 0.00 C ATOM 313 CG LYS A 24 8.084 14.550 11.658 1.00 0.00 C ATOM 314 CD LYS A 24 7.239 15.749 11.262 1.00 0.00 C ATOM 315 CE LYS A 24 8.035 17.043 11.345 1.00 0.00 C ATOM 316 NZ LYS A 24 7.414 18.128 10.536 1.00 0.00 N ATOM 0 H LYS A 24 9.495 12.481 10.220 1.00 0.00 H new ATOM 0 HA LYS A 24 6.614 11.787 10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.237 13.479 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.626 12.589 12.379 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.465 14.690 12.670 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.949 14.480 10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.867 15.614 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.368 15.814 11.915 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.105 17.360 12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.053 16.867 10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.160 18.724 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.844 17.710 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.804 18.709 11.145 1.00 0.00 H new ATOM 330 N ASP A 25 8.283 13.773 8.351 1.00 0.00 N ATOM 331 CA ASP A 25 8.238 14.704 7.229 1.00 0.00 C ATOM 332 C ASP A 25 9.117 14.215 6.082 1.00 0.00 C ATOM 333 O ASP A 25 10.007 13.388 6.278 1.00 0.00 O ATOM 334 CB ASP A 25 8.687 16.096 7.675 1.00 0.00 C ATOM 335 CG ASP A 25 10.104 16.102 8.215 1.00 0.00 C ATOM 336 OD1 ASP A 25 10.275 15.893 9.434 1.00 0.00 O ATOM 337 OD2 ASP A 25 11.042 16.316 7.418 1.00 0.00 O ATOM 0 H ASP A 25 9.191 13.332 8.497 1.00 0.00 H new ATOM 0 HA ASP A 25 7.208 14.759 6.876 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.620 16.784 6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.007 16.465 8.443 1.00 0.00 H new ATOM 342 N ASP A 26 8.860 14.732 4.885 1.00 0.00 N ATOM 343 CA ASP A 26 9.628 14.349 3.706 1.00 0.00 C ATOM 344 C ASP A 26 11.116 14.613 3.917 1.00 0.00 C ATOM 345 O ASP A 26 11.574 15.752 3.819 1.00 0.00 O ATOM 346 CB ASP A 26 9.131 15.111 2.477 1.00 0.00 C ATOM 347 CG ASP A 26 9.487 14.413 1.180 1.00 0.00 C ATOM 348 OD1 ASP A 26 9.571 13.168 1.180 1.00 0.00 O ATOM 349 OD2 ASP A 26 9.683 15.113 0.164 1.00 0.00 O ATOM 0 H ASP A 26 8.126 15.417 4.706 1.00 0.00 H new ATOM 0 HA ASP A 26 9.487 13.281 3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.049 15.227 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.560 16.113 2.476 1.00 0.00 H new ATOM 354 N ASP A 27 11.864 13.555 4.208 1.00 0.00 N ATOM 355 CA ASP A 27 13.300 13.673 4.432 1.00 0.00 C ATOM 356 C ASP A 27 14.039 13.902 3.117 1.00 0.00 C ATOM 357 O ASP A 27 14.822 14.842 2.989 1.00 0.00 O ATOM 358 CB ASP A 27 13.835 12.415 5.120 1.00 0.00 C ATOM 359 CG ASP A 27 15.340 12.452 5.304 1.00 0.00 C ATOM 360 OD1 ASP A 27 16.048 12.803 4.337 1.00 0.00 O ATOM 361 OD2 ASP A 27 15.808 12.131 6.416 1.00 0.00 O ATOM 0 H ASP A 27 11.500 12.606 4.294 1.00 0.00 H new ATOM 0 HA ASP A 27 13.472 14.533 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.355 12.304 6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.565 11.539 4.530 1.00 0.00 H new ATOM 366 N GLY A 28 13.784 13.034 2.142 1.00 0.00 N ATOM 367 CA GLY A 28 14.434 13.159 0.850 1.00 0.00 C ATOM 368 C GLY A 28 14.219 11.941 -0.026 1.00 0.00 C ATOM 369 O GLY A 28 14.318 12.025 -1.250 1.00 0.00 O ATOM 0 H GLY A 28 13.140 12.247 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.053 14.043 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.503 13.313 0.998 1.00 0.00 H new ATOM 373 N GLU A 29 13.927 10.806 0.601 1.00 0.00 N ATOM 374 CA GLU A 29 13.701 9.566 -0.131 1.00 0.00 C ATOM 375 C GLU A 29 12.261 9.484 -0.631 1.00 0.00 C ATOM 376 O GLU A 29 11.317 9.726 0.121 1.00 0.00 O ATOM 377 CB GLU A 29 14.013 8.359 0.757 1.00 0.00 C ATOM 378 CG GLU A 29 15.466 8.286 1.195 1.00 0.00 C ATOM 379 CD GLU A 29 16.432 8.374 0.030 1.00 0.00 C ATOM 380 OE1 GLU A 29 16.778 7.317 -0.537 1.00 0.00 O ATOM 381 OE2 GLU A 29 16.843 9.502 -0.315 1.00 0.00 O ATOM 0 H GLU A 29 13.841 10.720 1.614 1.00 0.00 H new ATOM 0 HA GLU A 29 14.368 9.556 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.377 8.395 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.758 7.446 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.672 9.096 1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.633 7.352 1.731 1.00 0.00 H new ATOM 388 N ARG A 30 12.102 9.141 -1.905 1.00 0.00 N ATOM 389 CA ARG A 30 10.779 9.029 -2.507 1.00 0.00 C ATOM 390 C ARG A 30 9.826 8.273 -1.587 1.00 0.00 C ATOM 391 O ARG A 30 10.239 7.383 -0.844 1.00 0.00 O ATOM 392 CB ARG A 30 10.869 8.320 -3.860 1.00 0.00 C ATOM 393 CG ARG A 30 9.516 8.049 -4.496 1.00 0.00 C ATOM 394 CD ARG A 30 9.044 9.233 -5.326 1.00 0.00 C ATOM 395 NE ARG A 30 9.895 9.460 -6.491 1.00 0.00 N ATOM 396 CZ ARG A 30 9.512 10.152 -7.558 1.00 0.00 C ATOM 397 NH1 ARG A 30 8.298 10.683 -7.607 1.00 0.00 N ATOM 398 NH2 ARG A 30 10.344 10.315 -8.578 1.00 0.00 N ATOM 0 H ARG A 30 12.873 8.936 -2.540 1.00 0.00 H new ATOM 0 HA ARG A 30 10.389 10.036 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.466 8.928 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.396 7.375 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.580 7.163 -5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.784 7.833 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.019 9.060 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.033 10.129 -4.705 1.00 0.00 H new ATOM 0 HE ARG A 30 10.836 9.065 -6.485 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.656 10.561 -6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.006 11.214 -8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.279 9.909 -8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.049 10.847 -9.397 1.00 0.00 H new ATOM 412 N MET A 31 8.548 8.636 -1.640 1.00 0.00 N ATOM 413 CA MET A 31 7.536 7.991 -0.812 1.00 0.00 C ATOM 414 C MET A 31 6.250 7.766 -1.601 1.00 0.00 C ATOM 415 O MET A 31 6.098 8.267 -2.716 1.00 0.00 O ATOM 416 CB MET A 31 7.245 8.839 0.428 1.00 0.00 C ATOM 417 CG MET A 31 8.438 8.983 1.359 1.00 0.00 C ATOM 418 SD MET A 31 7.952 9.225 3.078 1.00 0.00 S ATOM 419 CE MET A 31 8.534 10.895 3.363 1.00 0.00 C ATOM 0 H MET A 31 8.189 9.373 -2.247 1.00 0.00 H new ATOM 0 HA MET A 31 7.923 7.022 -0.498 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.919 9.830 0.112 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.417 8.392 0.978 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.062 8.093 1.284 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.047 9.827 1.035 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.873 10.991 4.395 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.361 11.112 2.688 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.722 11.599 3.181 1.00 0.00 H new ATOM 429 N LEU A 32 5.327 7.009 -1.017 1.00 0.00 N ATOM 430 CA LEU A 32 4.054 6.717 -1.666 1.00 0.00 C ATOM 431 C LEU A 32 2.938 6.572 -0.636 1.00 0.00 C ATOM 432 O LEU A 32 3.133 5.981 0.426 1.00 0.00 O ATOM 433 CB LEU A 32 4.165 5.439 -2.498 1.00 0.00 C ATOM 434 CG LEU A 32 4.169 4.126 -1.715 1.00 0.00 C ATOM 435 CD1 LEU A 32 3.790 2.963 -2.618 1.00 0.00 C ATOM 436 CD2 LEU A 32 5.532 3.888 -1.081 1.00 0.00 C ATOM 0 H LEU A 32 5.437 6.586 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 32 3.810 7.551 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.334 5.415 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.081 5.491 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 32 3.427 4.198 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.799 2.038 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.792 3.128 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.507 2.888 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.517 2.949 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.292 3.837 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.765 4.707 -0.400 1.00 0.00 H new ATOM 448 N ALA A 33 1.768 7.114 -0.958 1.00 0.00 N ATOM 449 CA ALA A 33 0.620 7.041 -0.063 1.00 0.00 C ATOM 450 C ALA A 33 -0.105 5.707 -0.208 1.00 0.00 C ATOM 451 O ALA A 33 -0.274 5.198 -1.316 1.00 0.00 O ATOM 452 CB ALA A 33 -0.334 8.195 -0.333 1.00 0.00 C ATOM 0 H ALA A 33 1.590 7.609 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 33 0.984 7.117 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.187 8.128 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.184 9.140 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.683 8.145 -1.364 1.00 0.00 H new ATOM 458 N CYS A 34 -0.531 5.146 0.918 1.00 0.00 N ATOM 459 CA CYS A 34 -1.238 3.870 0.918 1.00 0.00 C ATOM 460 C CYS A 34 -2.671 4.042 0.423 1.00 0.00 C ATOM 461 O CYS A 34 -3.542 4.502 1.160 1.00 0.00 O ATOM 462 CB CYS A 34 -1.241 3.265 2.323 1.00 0.00 C ATOM 463 SG CYS A 34 -2.440 1.911 2.546 1.00 0.00 S ATOM 0 H CYS A 34 -0.399 5.555 1.843 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.717 3.194 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.242 2.892 2.549 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.459 4.052 3.045 1.00 0.00 H new ATOM 468 N ASP A 35 -2.906 3.669 -0.830 1.00 0.00 N ATOM 469 CA ASP A 35 -4.233 3.780 -1.425 1.00 0.00 C ATOM 470 C ASP A 35 -5.316 3.441 -0.405 1.00 0.00 C ATOM 471 O ASP A 35 -6.391 4.038 -0.403 1.00 0.00 O ATOM 472 CB ASP A 35 -4.351 2.856 -2.638 1.00 0.00 C ATOM 473 CG ASP A 35 -5.316 3.389 -3.679 1.00 0.00 C ATOM 474 OD1 ASP A 35 -6.534 3.157 -3.532 1.00 0.00 O ATOM 475 OD2 ASP A 35 -4.853 4.036 -4.642 1.00 0.00 O ATOM 0 H ASP A 35 -2.195 3.287 -1.454 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.373 4.811 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.368 2.727 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.682 1.871 -2.310 1.00 0.00 H new ATOM 480 N GLY A 36 -5.023 2.476 0.462 1.00 0.00 N ATOM 481 CA GLY A 36 -5.982 2.073 1.475 1.00 0.00 C ATOM 482 C GLY A 36 -6.376 3.217 2.388 1.00 0.00 C ATOM 483 O GLY A 36 -7.500 3.715 2.322 1.00 0.00 O ATOM 0 H GLY A 36 -4.140 1.967 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.874 1.676 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.558 1.265 2.072 1.00 0.00 H new ATOM 487 N CYS A 37 -5.450 3.633 3.245 1.00 0.00 N ATOM 488 CA CYS A 37 -5.706 4.724 4.178 1.00 0.00 C ATOM 489 C CYS A 37 -5.228 6.054 3.604 1.00 0.00 C ATOM 490 O CYS A 37 -5.993 7.013 3.512 1.00 0.00 O ATOM 491 CB CYS A 37 -5.011 4.453 5.514 1.00 0.00 C ATOM 492 SG CYS A 37 -3.297 3.858 5.354 1.00 0.00 S ATOM 0 H CYS A 37 -4.515 3.231 3.313 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.782 4.785 4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.012 5.369 6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.590 3.715 6.069 1.00 0.00 H new ATOM 497 N GLY A 38 -3.956 6.104 3.219 1.00 0.00 N ATOM 498 CA GLY A 38 -3.398 7.320 2.659 1.00 0.00 C ATOM 499 C GLY A 38 -2.186 7.809 3.427 1.00 0.00 C ATOM 500 O GLY A 38 -2.055 9.002 3.700 1.00 0.00 O ATOM 0 H GLY A 38 -3.303 5.324 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.119 7.143 1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.161 8.098 2.656 1.00 0.00 H new ATOM 504 N VAL A 39 -1.297 6.885 3.777 1.00 0.00 N ATOM 505 CA VAL A 39 -0.090 7.228 4.519 1.00 0.00 C ATOM 506 C VAL A 39 1.153 7.068 3.651 1.00 0.00 C ATOM 507 O VAL A 39 1.353 6.029 3.021 1.00 0.00 O ATOM 508 CB VAL A 39 0.062 6.355 5.779 1.00 0.00 C ATOM 509 CG1 VAL A 39 1.388 6.639 6.469 1.00 0.00 C ATOM 510 CG2 VAL A 39 -1.103 6.586 6.730 1.00 0.00 C ATOM 0 H VAL A 39 -1.390 5.893 3.559 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.189 8.271 4.819 1.00 0.00 H new ATOM 0 HB VAL A 39 0.054 5.308 5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.478 6.013 7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.208 6.419 5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.430 7.689 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.980 5.961 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.128 7.635 7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.037 6.328 6.231 1.00 0.00 H new ATOM 520 N TRP A 40 1.985 8.103 3.622 1.00 0.00 N ATOM 521 CA TRP A 40 3.210 8.077 2.831 1.00 0.00 C ATOM 522 C TRP A 40 4.274 7.217 3.503 1.00 0.00 C ATOM 523 O TRP A 40 4.552 7.372 4.693 1.00 0.00 O ATOM 524 CB TRP A 40 3.739 9.497 2.626 1.00 0.00 C ATOM 525 CG TRP A 40 2.699 10.452 2.125 1.00 0.00 C ATOM 526 CD1 TRP A 40 1.746 11.090 2.868 1.00 0.00 C ATOM 527 CD2 TRP A 40 2.505 10.876 0.771 1.00 0.00 C ATOM 528 NE1 TRP A 40 0.972 11.884 2.057 1.00 0.00 N ATOM 529 CE2 TRP A 40 1.417 11.772 0.766 1.00 0.00 C ATOM 530 CE3 TRP A 40 3.145 10.588 -0.437 1.00 0.00 C ATOM 531 CZ2 TRP A 40 0.958 12.378 -0.400 1.00 0.00 C ATOM 532 CZ3 TRP A 40 2.688 11.191 -1.593 1.00 0.00 C ATOM 533 CH2 TRP A 40 1.604 12.078 -1.568 1.00 0.00 C ATOM 0 H TRP A 40 1.834 8.970 4.137 1.00 0.00 H new ATOM 0 HA TRP A 40 2.977 7.640 1.860 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.138 9.868 3.570 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.568 9.470 1.918 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.620 10.985 3.936 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.192 12.464 2.366 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.982 9.906 -0.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.121 13.061 -0.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.175 10.975 -2.532 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.272 12.534 -2.489 1.00 0.00 H new ATOM 544 N HIS A 41 4.868 6.309 2.735 1.00 0.00 N ATOM 545 CA HIS A 41 5.904 5.425 3.257 1.00 0.00 C ATOM 546 C HIS A 41 7.143 5.455 2.368 1.00 0.00 C ATOM 547 O HIS A 41 7.085 5.892 1.218 1.00 0.00 O ATOM 548 CB HIS A 41 5.375 3.994 3.366 1.00 0.00 C ATOM 549 CG HIS A 41 4.676 3.711 4.661 1.00 0.00 C ATOM 550 ND1 HIS A 41 5.279 3.054 5.712 1.00 0.00 N ATOM 551 CD2 HIS A 41 3.420 4.001 5.071 1.00 0.00 C ATOM 552 CE1 HIS A 41 4.423 2.950 6.713 1.00 0.00 C ATOM 553 NE2 HIS A 41 3.287 3.518 6.349 1.00 0.00 N ATOM 0 H HIS A 41 4.650 6.166 1.749 1.00 0.00 H new ATOM 0 HA HIS A 41 6.182 5.779 4.250 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.686 3.806 2.542 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.206 3.298 3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.663 4.517 4.499 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.618 2.481 7.666 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.447 3.586 6.924 1.00 0.00 H new ATOM 562 N HIS A 42 8.264 4.988 2.908 1.00 0.00 N ATOM 563 CA HIS A 42 9.518 4.962 2.164 1.00 0.00 C ATOM 564 C HIS A 42 9.503 3.857 1.112 1.00 0.00 C ATOM 565 O HIS A 42 9.525 2.670 1.441 1.00 0.00 O ATOM 566 CB HIS A 42 10.697 4.759 3.116 1.00 0.00 C ATOM 567 CG HIS A 42 11.144 6.017 3.793 1.00 0.00 C ATOM 568 ND1 HIS A 42 11.509 6.068 5.122 1.00 0.00 N ATOM 569 CD2 HIS A 42 11.285 7.277 3.317 1.00 0.00 C ATOM 570 CE1 HIS A 42 11.854 7.305 5.435 1.00 0.00 C ATOM 571 NE2 HIS A 42 11.727 8.058 4.357 1.00 0.00 N ATOM 0 H HIS A 42 8.330 4.622 3.858 1.00 0.00 H new ATOM 0 HA HIS A 42 9.631 5.921 1.658 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.419 4.027 3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.535 4.339 2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.087 7.606 2.308 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.184 7.643 6.407 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.925 9.057 4.305 1.00 0.00 H new ATOM 579 N THR A 43 9.464 4.254 -0.156 1.00 0.00 N ATOM 580 CA THR A 43 9.443 3.298 -1.256 1.00 0.00 C ATOM 581 C THR A 43 10.581 2.292 -1.132 1.00 0.00 C ATOM 582 O THR A 43 10.515 1.194 -1.685 1.00 0.00 O ATOM 583 CB THR A 43 9.547 4.007 -2.619 1.00 0.00 C ATOM 584 OG1 THR A 43 10.662 4.906 -2.620 1.00 0.00 O ATOM 585 CG2 THR A 43 8.270 4.775 -2.929 1.00 0.00 C ATOM 0 H THR A 43 9.446 5.232 -0.447 1.00 0.00 H new ATOM 0 HA THR A 43 8.489 2.773 -1.200 1.00 0.00 H new ATOM 0 HB THR A 43 9.692 3.248 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.441 5.701 -2.092 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.367 5.267 -3.897 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.427 4.084 -2.957 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.099 5.524 -2.156 1.00 0.00 H new ATOM 593 N ARG A 44 11.624 2.673 -0.402 1.00 0.00 N ATOM 594 CA ARG A 44 12.778 1.803 -0.205 1.00 0.00 C ATOM 595 C ARG A 44 12.514 0.792 0.907 1.00 0.00 C ATOM 596 O ARG A 44 12.718 -0.409 0.730 1.00 0.00 O ATOM 597 CB ARG A 44 14.018 2.633 0.130 1.00 0.00 C ATOM 598 CG ARG A 44 15.216 1.797 0.549 1.00 0.00 C ATOM 599 CD ARG A 44 16.526 2.471 0.171 1.00 0.00 C ATOM 600 NE ARG A 44 16.902 2.199 -1.213 1.00 0.00 N ATOM 601 CZ ARG A 44 17.479 1.070 -1.610 1.00 0.00 C ATOM 602 NH1 ARG A 44 17.743 0.113 -0.732 1.00 0.00 N ATOM 603 NH2 ARG A 44 17.791 0.896 -2.888 1.00 0.00 N ATOM 0 H ARG A 44 11.694 3.578 0.063 1.00 0.00 H new ATOM 0 HA ARG A 44 12.953 1.259 -1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.290 3.232 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 44 13.773 3.329 0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.188 1.633 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.160 0.817 0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.435 3.547 0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 44 17.317 2.125 0.836 1.00 0.00 H new ATOM 0 HE ARG A 44 16.711 2.915 -1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.503 0.242 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.186 -0.753 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.588 1.630 -3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.234 0.029 -3.191 1.00 0.00 H new ATOM 617 N CYS A 45 12.059 1.287 2.053 1.00 0.00 N ATOM 618 CA CYS A 45 11.767 0.429 3.195 1.00 0.00 C ATOM 619 C CYS A 45 10.804 -0.688 2.804 1.00 0.00 C ATOM 620 O CYS A 45 11.045 -1.860 3.096 1.00 0.00 O ATOM 621 CB CYS A 45 11.173 1.252 4.340 1.00 0.00 C ATOM 622 SG CYS A 45 12.373 2.340 5.174 1.00 0.00 S ATOM 0 H CYS A 45 11.884 2.279 2.216 1.00 0.00 H new ATOM 0 HA CYS A 45 12.702 -0.021 3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 45 10.357 1.860 3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 45 10.742 0.573 5.076 1.00 0.00 H new ATOM 627 N ILE A 46 9.714 -0.317 2.142 1.00 0.00 N ATOM 628 CA ILE A 46 8.716 -1.287 1.710 1.00 0.00 C ATOM 629 C ILE A 46 9.330 -2.335 0.788 1.00 0.00 C ATOM 630 O ILE A 46 8.866 -3.473 0.727 1.00 0.00 O ATOM 631 CB ILE A 46 7.544 -0.603 0.982 1.00 0.00 C ATOM 632 CG1 ILE A 46 8.031 0.052 -0.312 1.00 0.00 C ATOM 633 CG2 ILE A 46 6.886 0.426 1.888 1.00 0.00 C ATOM 634 CD1 ILE A 46 6.911 0.446 -1.250 1.00 0.00 C ATOM 0 H ILE A 46 9.499 0.649 1.893 1.00 0.00 H new ATOM 0 HA ILE A 46 8.340 -1.774 2.610 1.00 0.00 H new ATOM 0 HB ILE A 46 6.803 -1.360 0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.614 0.939 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.701 -0.636 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.060 0.901 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.508 -0.067 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.618 1.182 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.331 0.904 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.341 -0.440 -1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.253 1.159 -0.752 1.00 0.00 H new ATOM 646 N GLY A 47 10.380 -1.942 0.071 1.00 0.00 N ATOM 647 CA GLY A 47 11.043 -2.860 -0.837 1.00 0.00 C ATOM 648 C GLY A 47 10.849 -2.477 -2.291 1.00 0.00 C ATOM 649 O GLY A 47 10.357 -3.275 -3.089 1.00 0.00 O ATOM 0 H GLY A 47 10.782 -1.005 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.109 -2.885 -0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.659 -3.867 -0.675 1.00 0.00 H new ATOM 653 N ILE A 48 11.234 -1.253 -2.635 1.00 0.00 N ATOM 654 CA ILE A 48 11.099 -0.767 -4.003 1.00 0.00 C ATOM 655 C ILE A 48 12.127 0.319 -4.304 1.00 0.00 C ATOM 656 O ILE A 48 12.418 1.164 -3.459 1.00 0.00 O ATOM 657 CB ILE A 48 9.688 -0.209 -4.265 1.00 0.00 C ATOM 658 CG1 ILE A 48 8.659 -1.342 -4.261 1.00 0.00 C ATOM 659 CG2 ILE A 48 9.652 0.541 -5.588 1.00 0.00 C ATOM 660 CD1 ILE A 48 7.358 -0.979 -4.941 1.00 0.00 C ATOM 0 H ILE A 48 11.642 -0.580 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 48 11.271 -1.620 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 48 9.436 0.489 -3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.088 -2.213 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.453 -1.631 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.648 0.929 -5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.361 1.369 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.922 -0.137 -6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.677 -1.829 -4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.907 -0.127 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.552 -0.719 -5.982 1.00 0.00 H new ATOM 672 N ASN A 49 12.672 0.290 -5.516 1.00 0.00 N ATOM 673 CA ASN A 49 13.666 1.273 -5.930 1.00 0.00 C ATOM 674 C ASN A 49 13.228 1.986 -7.206 1.00 0.00 C ATOM 675 O ASN A 49 12.517 1.419 -8.033 1.00 0.00 O ATOM 676 CB ASN A 49 15.021 0.597 -6.150 1.00 0.00 C ATOM 677 CG ASN A 49 14.889 -0.757 -6.820 1.00 0.00 C ATOM 678 OD1 ASN A 49 15.320 -1.775 -6.278 1.00 0.00 O ATOM 679 ND2 ASN A 49 14.291 -0.775 -8.006 1.00 0.00 N ATOM 0 H ASN A 49 12.442 -0.403 -6.228 1.00 0.00 H new ATOM 0 HA ASN A 49 13.761 2.013 -5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.651 1.242 -6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.524 0.477 -5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 49 14.174 -1.657 -8.505 1.00 0.00 H new ATOM 0 HD22 ASN A 49 13.949 0.093 -8.418 1.00 0.00 H new ATOM 686 N ASN A 50 13.659 3.235 -7.357 1.00 0.00 N ATOM 687 CA ASN A 50 13.311 4.026 -8.531 1.00 0.00 C ATOM 688 C ASN A 50 13.379 3.178 -9.798 1.00 0.00 C ATOM 689 O ASN A 50 12.496 3.249 -10.652 1.00 0.00 O ATOM 690 CB ASN A 50 14.249 5.228 -8.658 1.00 0.00 C ATOM 691 CG ASN A 50 15.709 4.840 -8.520 1.00 0.00 C ATOM 692 OD1 ASN A 50 16.346 4.422 -9.486 1.00 0.00 O ATOM 693 ND2 ASN A 50 16.245 4.977 -7.313 1.00 0.00 N ATOM 0 H ASN A 50 14.249 3.720 -6.681 1.00 0.00 H new ATOM 0 HA ASN A 50 12.288 4.383 -8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.093 5.706 -9.625 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.998 5.964 -7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.223 4.732 -7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.679 5.328 -6.540 1.00 0.00 H new ATOM 700 N ALA A 51 14.433 2.377 -9.912 1.00 0.00 N ATOM 701 CA ALA A 51 14.615 1.514 -11.072 1.00 0.00 C ATOM 702 C ALA A 51 13.275 1.009 -11.596 1.00 0.00 C ATOM 703 O ALA A 51 12.914 1.259 -12.746 1.00 0.00 O ATOM 704 CB ALA A 51 15.522 0.343 -10.722 1.00 0.00 C ATOM 0 H ALA A 51 15.174 2.308 -9.215 1.00 0.00 H new ATOM 0 HA ALA A 51 15.086 2.101 -11.860 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.649 -0.293 -11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.494 0.719 -10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 51 15.073 -0.236 -9.915 1.00 0.00 H new ATOM 710 N ASP A 52 12.543 0.297 -10.746 1.00 0.00 N ATOM 711 CA ASP A 52 11.242 -0.243 -11.124 1.00 0.00 C ATOM 712 C ASP A 52 10.147 0.803 -10.943 1.00 0.00 C ATOM 713 O ASP A 52 10.344 1.812 -10.267 1.00 0.00 O ATOM 714 CB ASP A 52 10.921 -1.485 -10.293 1.00 0.00 C ATOM 715 CG ASP A 52 9.708 -2.232 -10.812 1.00 0.00 C ATOM 716 OD1 ASP A 52 9.482 -2.214 -12.040 1.00 0.00 O ATOM 717 OD2 ASP A 52 8.984 -2.832 -9.990 1.00 0.00 O ATOM 0 H ASP A 52 12.828 0.080 -9.791 1.00 0.00 H new ATOM 0 HA ASP A 52 11.283 -0.521 -12.177 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.783 -2.152 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.747 -1.191 -9.258 1.00 0.00 H new ATOM 722 N ALA A 53 8.992 0.555 -11.553 1.00 0.00 N ATOM 723 CA ALA A 53 7.865 1.474 -11.458 1.00 0.00 C ATOM 724 C ALA A 53 7.115 1.289 -10.143 1.00 0.00 C ATOM 725 O ALA A 53 7.410 0.376 -9.371 1.00 0.00 O ATOM 726 CB ALA A 53 6.923 1.278 -12.637 1.00 0.00 C ATOM 0 H ALA A 53 8.813 -0.275 -12.118 1.00 0.00 H new ATOM 0 HA ALA A 53 8.255 2.492 -11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.086 1.971 -12.553 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.459 1.468 -13.567 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.548 0.254 -12.637 1.00 0.00 H new ATOM 732 N LEU A 54 6.144 2.161 -9.894 1.00 0.00 N ATOM 733 CA LEU A 54 5.351 2.094 -8.671 1.00 0.00 C ATOM 734 C LEU A 54 4.080 1.280 -8.890 1.00 0.00 C ATOM 735 O LEU A 54 3.468 1.314 -9.958 1.00 0.00 O ATOM 736 CB LEU A 54 4.992 3.503 -8.195 1.00 0.00 C ATOM 737 CG LEU A 54 6.167 4.393 -7.788 1.00 0.00 C ATOM 738 CD1 LEU A 54 5.730 5.848 -7.705 1.00 0.00 C ATOM 739 CD2 LEU A 54 6.751 3.932 -6.461 1.00 0.00 C ATOM 0 H LEU A 54 5.887 2.922 -10.522 1.00 0.00 H new ATOM 0 HA LEU A 54 5.950 1.600 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.441 4.004 -8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.316 3.416 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 54 6.942 4.311 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.579 6.467 -7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.360 6.173 -8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.937 5.948 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.586 4.577 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.984 3.984 -5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.102 2.904 -6.555 1.00 0.00 H new ATOM 751 N PRO A 55 3.671 0.531 -7.856 1.00 0.00 N ATOM 752 CA PRO A 55 2.467 -0.304 -7.909 1.00 0.00 C ATOM 753 C PRO A 55 1.188 0.525 -7.942 1.00 0.00 C ATOM 754 O PRO A 55 1.019 1.455 -7.153 1.00 0.00 O ATOM 755 CB PRO A 55 2.543 -1.120 -6.617 1.00 0.00 C ATOM 756 CG PRO A 55 3.359 -0.286 -5.690 1.00 0.00 C ATOM 757 CD PRO A 55 4.352 0.442 -6.553 1.00 0.00 C ATOM 0 HA PRO A 55 2.433 -0.914 -8.812 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.550 -1.309 -6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.007 -2.091 -6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.731 0.416 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.866 -0.906 -4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.585 1.429 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.294 -0.102 -6.628 1.00 0.00 H new ATOM 765 N SER A 56 0.289 0.182 -8.859 1.00 0.00 N ATOM 766 CA SER A 56 -0.975 0.897 -8.995 1.00 0.00 C ATOM 767 C SER A 56 -1.585 1.188 -7.628 1.00 0.00 C ATOM 768 O SER A 56 -2.091 2.283 -7.380 1.00 0.00 O ATOM 769 CB SER A 56 -1.956 0.084 -9.842 1.00 0.00 C ATOM 770 OG SER A 56 -1.760 0.328 -11.224 1.00 0.00 O ATOM 0 H SER A 56 0.412 -0.586 -9.519 1.00 0.00 H new ATOM 0 HA SER A 56 -0.776 1.846 -9.493 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.826 -0.978 -9.635 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.979 0.340 -9.566 1.00 0.00 H new ATOM 0 HG SER A 56 -2.398 -0.204 -11.744 1.00 0.00 H new ATOM 776 N LYS A 57 -1.534 0.199 -6.742 1.00 0.00 N ATOM 777 CA LYS A 57 -2.081 0.346 -5.398 1.00 0.00 C ATOM 778 C LYS A 57 -1.174 -0.318 -4.367 1.00 0.00 C ATOM 779 O LYS A 57 -0.631 -1.397 -4.605 1.00 0.00 O ATOM 780 CB LYS A 57 -3.483 -0.262 -5.326 1.00 0.00 C ATOM 781 CG LYS A 57 -4.486 0.410 -6.248 1.00 0.00 C ATOM 782 CD LYS A 57 -5.808 -0.339 -6.275 1.00 0.00 C ATOM 783 CE LYS A 57 -6.731 0.199 -7.358 1.00 0.00 C ATOM 784 NZ LYS A 57 -8.017 -0.549 -7.411 1.00 0.00 N ATOM 0 H LYS A 57 -1.119 -0.714 -6.931 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.142 1.411 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.424 -1.321 -5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.845 -0.198 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.654 1.435 -5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.076 0.463 -7.257 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.623 -1.399 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.296 -0.253 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.932 1.254 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.233 0.134 -8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.618 -0.153 -8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.827 -1.552 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.505 -0.466 -6.496 1.00 0.00 H new ATOM 798 N PHE A 58 -1.014 0.334 -3.219 1.00 0.00 N ATOM 799 CA PHE A 58 -0.173 -0.194 -2.151 1.00 0.00 C ATOM 800 C PHE A 58 -0.887 -0.110 -0.805 1.00 0.00 C ATOM 801 O PHE A 58 -1.221 0.978 -0.333 1.00 0.00 O ATOM 802 CB PHE A 58 1.149 0.573 -2.088 1.00 0.00 C ATOM 803 CG PHE A 58 1.910 0.353 -0.812 1.00 0.00 C ATOM 804 CD1 PHE A 58 2.804 -0.700 -0.697 1.00 0.00 C ATOM 805 CD2 PHE A 58 1.733 1.198 0.271 1.00 0.00 C ATOM 806 CE1 PHE A 58 3.505 -0.906 0.476 1.00 0.00 C ATOM 807 CE2 PHE A 58 2.431 0.997 1.447 1.00 0.00 C ATOM 808 CZ PHE A 58 3.319 -0.055 1.549 1.00 0.00 C ATOM 0 H PHE A 58 -1.456 1.228 -3.005 1.00 0.00 H new ATOM 0 HA PHE A 58 0.033 -1.242 -2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.773 0.274 -2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.948 1.638 -2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.954 -1.367 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.041 2.024 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.197 -1.731 0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.282 1.662 2.285 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.868 -0.213 2.466 1.00 0.00 H new ATOM 818 N LEU A 59 -1.120 -1.265 -0.192 1.00 0.00 N ATOM 819 CA LEU A 59 -1.795 -1.324 1.099 1.00 0.00 C ATOM 820 C LEU A 59 -0.801 -1.611 2.220 1.00 0.00 C ATOM 821 O LEU A 59 0.154 -2.367 2.040 1.00 0.00 O ATOM 822 CB LEU A 59 -2.883 -2.399 1.080 1.00 0.00 C ATOM 823 CG LEU A 59 -4.154 -2.053 0.305 1.00 0.00 C ATOM 824 CD1 LEU A 59 -5.011 -3.294 0.103 1.00 0.00 C ATOM 825 CD2 LEU A 59 -4.942 -0.971 1.028 1.00 0.00 C ATOM 0 H LEU A 59 -0.851 -2.174 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.255 -0.354 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.459 -3.309 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.160 -2.626 2.110 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.866 -1.672 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.912 -3.028 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.447 -4.039 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.290 -3.706 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.844 -0.738 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.219 -1.325 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.329 -0.074 1.120 1.00 0.00 H new ATOM 837 N CYS A 60 -1.033 -1.003 3.379 1.00 0.00 N ATOM 838 CA CYS A 60 -0.160 -1.194 4.531 1.00 0.00 C ATOM 839 C CYS A 60 -0.649 -2.350 5.399 1.00 0.00 C ATOM 840 O CYS A 60 -1.702 -2.932 5.141 1.00 0.00 O ATOM 841 CB CYS A 60 -0.091 0.089 5.363 1.00 0.00 C ATOM 842 SG CYS A 60 -1.653 0.520 6.195 1.00 0.00 S ATOM 0 H CYS A 60 -1.818 -0.374 3.545 1.00 0.00 H new ATOM 0 HA CYS A 60 0.837 -1.436 4.163 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.691 -0.020 6.115 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.203 0.914 4.715 1.00 0.00 H new ATOM 847 N PHE A 61 0.125 -2.677 6.429 1.00 0.00 N ATOM 848 CA PHE A 61 -0.228 -3.764 7.335 1.00 0.00 C ATOM 849 C PHE A 61 -1.510 -3.441 8.098 1.00 0.00 C ATOM 850 O PHE A 61 -2.325 -4.324 8.364 1.00 0.00 O ATOM 851 CB PHE A 61 0.913 -4.026 8.320 1.00 0.00 C ATOM 852 CG PHE A 61 0.911 -3.097 9.500 1.00 0.00 C ATOM 853 CD1 PHE A 61 0.032 -3.295 10.553 1.00 0.00 C ATOM 854 CD2 PHE A 61 1.789 -2.026 9.557 1.00 0.00 C ATOM 855 CE1 PHE A 61 0.029 -2.442 11.641 1.00 0.00 C ATOM 856 CE2 PHE A 61 1.790 -1.171 10.642 1.00 0.00 C ATOM 857 CZ PHE A 61 0.908 -1.378 11.685 1.00 0.00 C ATOM 0 H PHE A 61 1.000 -2.205 6.657 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.397 -4.661 6.739 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.846 -5.054 8.677 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.864 -3.932 7.795 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.658 -4.125 10.523 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.480 -1.858 8.744 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.660 -2.608 12.456 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.480 -0.341 10.675 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.906 -0.709 12.533 1.00 0.00 H new ATOM 867 N ARG A 62 -1.679 -2.170 8.447 1.00 0.00 N ATOM 868 CA ARG A 62 -2.860 -1.731 9.181 1.00 0.00 C ATOM 869 C ARG A 62 -4.121 -1.910 8.341 1.00 0.00 C ATOM 870 O ARG A 62 -5.198 -2.188 8.870 1.00 0.00 O ATOM 871 CB ARG A 62 -2.713 -0.265 9.594 1.00 0.00 C ATOM 872 CG ARG A 62 -1.653 -0.034 10.658 1.00 0.00 C ATOM 873 CD ARG A 62 -1.876 1.278 11.392 1.00 0.00 C ATOM 874 NE ARG A 62 -0.657 1.760 12.036 1.00 0.00 N ATOM 875 CZ ARG A 62 -0.652 2.587 13.075 1.00 0.00 C ATOM 876 NH1 ARG A 62 -1.796 3.022 13.586 1.00 0.00 N ATOM 877 NH2 ARG A 62 0.498 2.981 13.606 1.00 0.00 N ATOM 0 H ARG A 62 -1.014 -1.427 8.234 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.951 -2.347 10.076 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.467 0.328 8.713 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.672 0.097 9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.667 -0.858 11.371 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.666 -0.030 10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.236 2.030 10.689 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.654 1.145 12.143 1.00 0.00 H new ATOM 0 HE ARG A 62 0.240 1.444 11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.683 2.721 13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.789 3.657 14.384 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.380 2.649 13.216 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.500 3.616 14.404 1.00 0.00 H new ATOM 891 N CYS A 63 -3.979 -1.750 7.030 1.00 0.00 N ATOM 892 CA CYS A 63 -5.106 -1.893 6.115 1.00 0.00 C ATOM 893 C CYS A 63 -5.549 -3.350 6.022 1.00 0.00 C ATOM 894 O CYS A 63 -6.743 -3.649 6.049 1.00 0.00 O ATOM 895 CB CYS A 63 -4.731 -1.372 4.726 1.00 0.00 C ATOM 896 SG CYS A 63 -5.094 0.395 4.472 1.00 0.00 S ATOM 0 H CYS A 63 -3.094 -1.521 6.577 1.00 0.00 H new ATOM 0 HA CYS A 63 -5.936 -1.304 6.505 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.667 -1.541 4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.266 -1.953 3.975 1.00 0.00 H new ATOM 901 N ILE A 64 -4.579 -4.252 5.913 1.00 0.00 N ATOM 902 CA ILE A 64 -4.868 -5.677 5.817 1.00 0.00 C ATOM 903 C ILE A 64 -6.099 -6.044 6.639 1.00 0.00 C ATOM 904 O ILE A 64 -6.960 -6.796 6.182 1.00 0.00 O ATOM 905 CB ILE A 64 -3.675 -6.527 6.292 1.00 0.00 C ATOM 906 CG1 ILE A 64 -2.506 -6.396 5.315 1.00 0.00 C ATOM 907 CG2 ILE A 64 -4.089 -7.984 6.440 1.00 0.00 C ATOM 908 CD1 ILE A 64 -1.252 -7.107 5.774 1.00 0.00 C ATOM 0 H ILE A 64 -3.586 -4.021 5.889 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.059 -5.890 4.765 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.352 -6.161 7.266 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.806 -6.795 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.282 -5.339 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.235 -8.572 6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.894 -8.061 7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.435 -8.363 5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.465 -6.972 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.927 -6.692 6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.459 -8.170 5.893 1.00 0.00 H new ATOM 920 N GLU A 65 -6.176 -5.507 7.852 1.00 0.00 N ATOM 921 CA GLU A 65 -7.303 -5.778 8.737 1.00 0.00 C ATOM 922 C GLU A 65 -8.368 -4.693 8.609 1.00 0.00 C ATOM 923 O GLU A 65 -9.559 -4.953 8.785 1.00 0.00 O ATOM 924 CB GLU A 65 -6.829 -5.873 10.189 1.00 0.00 C ATOM 925 CG GLU A 65 -7.682 -6.790 11.049 1.00 0.00 C ATOM 926 CD GLU A 65 -7.507 -6.528 12.532 1.00 0.00 C ATOM 927 OE1 GLU A 65 -7.649 -5.360 12.950 1.00 0.00 O ATOM 928 OE2 GLU A 65 -7.227 -7.493 13.275 1.00 0.00 O ATOM 0 H GLU A 65 -5.472 -4.882 8.245 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.742 -6.731 8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.799 -6.229 10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.827 -4.875 10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.731 -6.660 10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.424 -7.827 10.834 1.00 0.00 H new ATOM 935 N LEU A 66 -7.932 -3.477 8.301 1.00 0.00 N ATOM 936 CA LEU A 66 -8.847 -2.351 8.149 1.00 0.00 C ATOM 937 C LEU A 66 -9.906 -2.649 7.092 1.00 0.00 C ATOM 938 O LEU A 66 -11.091 -2.387 7.296 1.00 0.00 O ATOM 939 CB LEU A 66 -8.073 -1.087 7.770 1.00 0.00 C ATOM 940 CG LEU A 66 -8.674 0.236 8.247 1.00 0.00 C ATOM 941 CD1 LEU A 66 -7.719 1.386 7.969 1.00 0.00 C ATOM 942 CD2 LEU A 66 -10.018 0.483 7.579 1.00 0.00 C ATOM 0 H LEU A 66 -6.950 -3.245 8.151 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.348 -2.190 9.104 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.063 -1.170 8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.983 -1.052 6.684 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.832 0.174 9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.163 2.319 8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.780 1.214 8.495 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.529 1.450 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.431 1.429 7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.885 0.525 6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.703 -0.327 7.829 1.00 0.00 H new ATOM 954 N SER A 67 -9.470 -3.200 5.964 1.00 0.00 N ATOM 955 CA SER A 67 -10.381 -3.532 4.874 1.00 0.00 C ATOM 956 C SER A 67 -11.432 -4.538 5.333 1.00 0.00 C ATOM 957 O SER A 67 -11.114 -5.678 5.667 1.00 0.00 O ATOM 958 CB SER A 67 -9.602 -4.098 3.685 1.00 0.00 C ATOM 959 OG SER A 67 -8.900 -3.075 3.002 1.00 0.00 O ATOM 0 H SER A 67 -8.492 -3.426 5.781 1.00 0.00 H new ATOM 0 HA SER A 67 -10.888 -2.618 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.900 -4.855 4.034 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.289 -4.593 2.998 1.00 0.00 H new ATOM 0 HG SER A 67 -8.409 -3.463 2.248 1.00 0.00 H new ATOM 965 N GLY A 68 -12.690 -4.105 5.346 1.00 0.00 N ATOM 966 CA GLY A 68 -13.770 -4.978 5.765 1.00 0.00 C ATOM 967 C GLY A 68 -15.116 -4.280 5.758 1.00 0.00 C ATOM 968 O GLY A 68 -15.204 -3.056 5.655 1.00 0.00 O ATOM 0 H GLY A 68 -12.979 -3.166 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.810 -5.844 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.563 -5.351 6.768 1.00 0.00 H new ATOM 972 N PRO A 69 -16.196 -5.068 5.868 1.00 0.00 N ATOM 973 CA PRO A 69 -17.563 -4.539 5.875 1.00 0.00 C ATOM 974 C PRO A 69 -17.879 -3.763 7.149 1.00 0.00 C ATOM 975 O PRO A 69 -18.941 -3.153 7.268 1.00 0.00 O ATOM 976 CB PRO A 69 -18.430 -5.798 5.787 1.00 0.00 C ATOM 977 CG PRO A 69 -17.583 -6.882 6.358 1.00 0.00 C ATOM 978 CD PRO A 69 -16.166 -6.534 5.994 1.00 0.00 C ATOM 0 HA PRO A 69 -17.730 -3.831 5.063 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -19.356 -5.681 6.350 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -18.709 -6.015 4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -17.704 -6.944 7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -17.864 -7.853 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -15.463 -6.857 6.762 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -15.862 -7.011 5.062 1.00 0.00 H new ATOM 986 N SER A 70 -16.949 -3.790 8.098 1.00 0.00 N ATOM 987 CA SER A 70 -17.129 -3.091 9.365 1.00 0.00 C ATOM 988 C SER A 70 -17.690 -1.691 9.138 1.00 0.00 C ATOM 989 O SER A 70 -16.959 -0.769 8.775 1.00 0.00 O ATOM 990 CB SER A 70 -15.800 -3.005 10.118 1.00 0.00 C ATOM 991 OG SER A 70 -15.311 -4.296 10.439 1.00 0.00 O ATOM 0 H SER A 70 -16.063 -4.288 8.014 1.00 0.00 H new ATOM 0 HA SER A 70 -17.842 -3.656 9.965 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.067 -2.476 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.933 -2.426 11.032 1.00 0.00 H new ATOM 0 HG SER A 70 -14.460 -4.214 10.918 1.00 0.00 H new ATOM 997 N SER A 71 -18.993 -1.539 9.354 1.00 0.00 N ATOM 998 CA SER A 71 -19.654 -0.253 9.169 1.00 0.00 C ATOM 999 C SER A 71 -19.137 0.772 10.174 1.00 0.00 C ATOM 1000 O SER A 71 -18.728 1.871 9.802 1.00 0.00 O ATOM 1001 CB SER A 71 -21.169 -0.408 9.315 1.00 0.00 C ATOM 1002 OG SER A 71 -21.505 -0.971 10.572 1.00 0.00 O ATOM 0 H SER A 71 -19.612 -2.291 9.657 1.00 0.00 H new ATOM 0 HA SER A 71 -19.428 0.103 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 71 -21.649 0.565 9.209 1.00 0.00 H new ATOM 0 HB3 SER A 71 -21.552 -1.042 8.515 1.00 0.00 H new ATOM 0 HG SER A 71 -22.479 -1.058 10.642 1.00 0.00 H new ATOM 1008 N GLY A 72 -19.159 0.403 11.451 1.00 0.00 N ATOM 1009 CA GLY A 72 -18.691 1.301 12.491 1.00 0.00 C ATOM 1010 C GLY A 72 -17.400 2.000 12.116 1.00 0.00 C ATOM 1011 O GLY A 72 -16.614 1.438 11.354 1.00 0.00 O ATOM 0 H GLY A 72 -19.492 -0.502 11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -19.459 2.047 12.695 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -18.541 0.738 13.412 1.00 0.00 H new TER 1015 GLY A 72 HETATM 1016 ZN ZN A 201 11.429 4.088 6.393 1.00 0.00 ZN HETATM 1017 ZN ZN A 401 -3.127 1.610 4.758 1.00 0.00 ZN